The estimation of residual displacements in a structure due to an anticipated earthquake event has increasingly become an important component of performance-based earthquake engineering because controlling these displ...The estimation of residual displacements in a structure due to an anticipated earthquake event has increasingly become an important component of performance-based earthquake engineering because controlling these displacements plays an important role in ensuring cost-feasible or cost-effective repairs in a damaged structure after the event.An attempt is made in this study to obtain statistical estimates of constant-ductility residual displacement spectra for bilinear and pinching oscillators with 5%initial damping,directly in terms of easily available seismological,site,and model parameters.None of the available models for the bilinear and pinching oscillators are useful when design spectra for a seismic hazard at a site are not available.The statistical estimates of a residual displacement spectrum are proposed in terms of earthquake magnitude,epicentral distance,site geology parameter,and three model parameters for a given set of ductility demand and a hysteretic energy capacity coefficient in the case of bilinear and pinching models,as well as for a given set of pinching parameters for displacement and strength at the breakpoint in the case of pinching model alone.The proposed scaling model is applicable to horizontal ground motions in the western U.S.for earthquake magnitudes less than 7 or epicentral distances greater than 20 km.展开更多
This review paper provides an overview of the micropillar compression technique as applied to magnesium(Mg) and its alloys. It explores the influence of various factors, such as pillar size, shape, temperature, and st...This review paper provides an overview of the micropillar compression technique as applied to magnesium(Mg) and its alloys. It explores the influence of various factors, such as pillar size, shape, temperature, and strain rate on the mechanical properties of Mg.Additionally, the impact of alloying elements, aging, and precipitates in Mg alloys has been extensively examined, revealing their significant influence on mechanical performance. The study highlights the strength and strain hardening improvements in Mg with decreasing pillar size in micropillar compression. Furthermore, the role of precipitates as strengthening agents, affecting deformation mechanisms and overall mechanical response, is explored. These valuable insights are crucial for designing Mg-based materials with enhanced mechanical properties for advanced engineering applications.展开更多
The increased demand for superior materials has highlighted the need of investigating the mechanical properties of composites to achieve enhanced constitutive relationships.Fiber-reinforced polymer composites have eme...The increased demand for superior materials has highlighted the need of investigating the mechanical properties of composites to achieve enhanced constitutive relationships.Fiber-reinforced polymer composites have emerged as an integral part of materials development with tailored mechanical properties.However,the complexity and heterogeneity of such composites make it considerably more challenging to have precise quantification of properties and attain an optimal design of structures through experimental and computational approaches.In order to avoid the complex,cumbersome,and labor-intensive experimental and numerical modeling approaches,a machine learning(ML)model is proposed here such that it takes the microstructural image as input with a different range of Young’s modulus of carbon fibers and neat epoxy,and obtains output as visualization of the stress component S11(principal stress in the x-direction).For obtaining the training data of the ML model,a short carbon fiberfilled specimen under quasi-static tension is modeled based on 2D Representative Area Element(RAE)using finite element analysis.The composite is inclusive of short carbon fibers with an aspect ratio of 7.5that are infilled in the epoxy systems at various random orientations and positions generated using the Simple Sequential Inhibition(SSI)process.The study reveals that the pix2pix deep learning Convolutional Neural Network(CNN)model is robust enough to predict the stress fields in the composite for a given arrangement of short fibers filled in epoxy over the specified range of Young’s modulus with high accuracy.The CNN model achieves a correlation score of about 0.999 and L2 norm of less than 0.005 for a majority of the samples in the design spectrum,indicating excellent prediction capability.In this paper,we have focused on the stage-wise chronological development of the CNN model with optimized performance for predicting the full-field stress maps of the fiber-reinforced composite specimens.The development of such a robust and efficient algorithm would significantly reduce the amount of time and cost required to study and design new composite materials through the elimination of numerical inputs by direct microstructural images.展开更多
Inadequate management of large in-train forces transferred through coupler systems of a railway train leads to running and structural failures of vehicles.Understanding these phenomena and their mitigation requires ac...Inadequate management of large in-train forces transferred through coupler systems of a railway train leads to running and structural failures of vehicles.Understanding these phenomena and their mitigation requires accurate estimation of relative motions and in-train forces between vehicle bodies.Previous numerical studies have ignored inertia of coupling elements and the impacts between couplers.Thus,existing models underestimate the additional dynamic variations in in-train forces.Detailed multi-body dynamic models of two AAR(Association of American Railroads)coupler systems used in passenger and freight trains are developed,incorporating coupler inertia and various slacks.Due to the modeling and simulation com-plexities involved in a full train model,with such details of coupler system,actual longitudinal train dynamics is not studied.A system comprising only two coupling units,inter-connecting two consecutive vehicles,is modeled.Considered system has been fixed at one end and an excitation force is applied at the other end,to mimic a relative force transmission through combined coupler system.Simulation results obtained from this representative system show that,noticeable influence in in-train forces are expected due to the combined effect of inertia of couplers and intermittent impacts between couplers in the slack regime.Maximum amplitude of longitudinal reaction force,transferred from draft gear housing to vehicle body,is expected to be significantly higher than that predicted using existing models of coupler system.It is also observed that the couplers and knuckles are subjected to significant longitudinal and lateral contact forces,due to the intermittent impacts between couplers.Thus,accurate estimation of draft gear reaction force and impact forces between couplers are essential to design vehicle and coupler components,respectively.展开更多
Common problems in engineering projects that involve artificial ground freezing of soil or rock include inadequate thickness,strength and continuity of artificial frozen walls.It is difficult to evaluate the freezing ...Common problems in engineering projects that involve artificial ground freezing of soil or rock include inadequate thickness,strength and continuity of artificial frozen walls.It is difficult to evaluate the freezing state using only a few thermometer holes at fixed positions or with other existing approaches.Here we report a novel experimental design that investigates changes in ultrasonic properties(received waveform,wave velocity V_(p),wave amplitude,frequency spectrum,centroid frequency f_(c),kurtosis of the frequency spectrum KFS,and quality factor Q)measured during upward freezing,compared with those during uniform freezing,in order to determine the freezing state in 150 mm cubic blocks of Ardingly sandstone.Water content,porosity and density were estimated during upward freezing to ascertain water migration and changes of porosity and density at different stages.The period of receiving the wave increased substantially and coda waves changed from loose to compact during both upward and uniform freezing.The trend of increasing V_(p) can be divided into three stages during uniform freezing.During upward freezing,V_(p) increased more or less uniformly.The frequency spectrum could be used as a convenient and rapid method to identify different freezing states of sandstone(unfrozen,upward frozen,and uniformly frozen).The continuous changes in reflection coefficient r_(φ),refraction coefficient t_(φ) and acoustic impedance field are the major reason for larger reflection and refraction during upward freezing compared with uniform freezing.Wave velocity V_(p),wave amplitude A_(h),centroid frequency f_(c) and quality factor Q were adopted as ultrasonic parameters to evaluate quantitatively the temperature T of uniformly frozen sandstone,and their application within a radar chart is recommended.Determination of V_(p) provides a convenient method to evaluate the freezing state and calculate the cryofront height and frozen section thickness of upward frozen sandstone,with accuracies of 73.37%-99.23%.展开更多
Reservoir heterogeneities play a crucial role in governing reservoir performance and management.Traditionally,detailed and inter-well heterogeneity analyses are commonly performed by mapping seismic facies change in t...Reservoir heterogeneities play a crucial role in governing reservoir performance and management.Traditionally,detailed and inter-well heterogeneity analyses are commonly performed by mapping seismic facies change in the seismic data,which is a time-intensive task.Many researchers have utilized a robust Grey-level co-occurrence matrix(GLCM)-based texture attributes to map reservoir heterogeneity.However,these attributes take seismic data as input and might not be sensitive to lateral lithology variation.To incorporate the lithology information,we have developed an innovative impedance-based texture approach using GLCM workflow by integrating 3D acoustic impedance volume(a rock propertybased attribute)obtained from a deep convolution network-based impedance inversion.Our proposed workflow is anticipated to be more sensitive toward mapping lateral changes than the conventional amplitude-based texture approach,wherein seismic data is used as input.To evaluate the improvement,we applied the proposed workflow to the full-stack 3D seismic data from the Poseidon field,NW-shelf,Australia.This study demonstrates that a better demarcation of reservoir gas sands with improved lateral continuity is achievable with the presented approach compared to the conventional approach.In addition,we assess the implication of multi-stage faulting on facies distribution for effective reservoir characterization.This study also suggests a well-bounded potential reservoir facies distribution along the parallel fault lines.Thus,the proposed approach provides an efficient strategy by integrating the impedance information with texture attributes to improve the inference on reservoir heterogeneity,which can serve as a promising tool for identifying potential reservoir zones for both production benefits and fluid storage.展开更多
This paper builds on exploring the applications of biomediated pathways to solve geotechnical challenges.First,the state of the art of biological remediation strategies including microbial remediation and phytoremedia...This paper builds on exploring the applications of biomediated pathways to solve geotechnical challenges.First,the state of the art of biological remediation strategies including microbial remediation and phytoremediation have been introduced and critically reviewed in the context of decontaminating the soils.Next,biopolymerisation,biomineralisation and bioneutralisation processes have been depicted with a special emphasis on the applications including but not limited to soil stabilisation,soil erosion prevention,anti-desertification and pH neutralisation.Each of these methods have their own limitations and bottlenecks while scaling up,and these challenges have been summarised and some possible paths to overcome the challenges have also been discussed.The state of the art of electromagnetic(EM)monitoring methods to capture the effects of biomediation on spatio-temporal soil properties are then highlighted as a non-invasive and rapid pathway to track the progress of biomediated soil processes.Finally,each of the technologies discussed have been evaluated for their maturity level using the principles of technology readiness level(TRL).A majority of the technologies amounting to around 77%are still in the TRL 4e7,i.e.in the valley of death.It is thus evident that development of these technologies needs to be supported with appropriate funding for improving their maturity to a level of industrial deployment.展开更多
Structures undergoing inelastic displacements during earthquake ground motions are known to sustain some amount of residual displacements, which may make them unusable or unsafe. In this study an attempt is made to es...Structures undergoing inelastic displacements during earthquake ground motions are known to sustain some amount of residual displacements, which may make them unusable or unsafe. In this study an attempt is made to estimate residual displacements for elastic-perfectly-plastic single-degree-of-freedom oscillators with a given lateral strength ratio. It is observed in the case of a class of ground motions that there are no trends in the dependence of residual displacement on the temporal features of the ground motion, and thus any estimation of residual displacements should be carried out only in the statistical sense. Statistical estimation of residual displacement spectrum via normalization with respect to inelastic or elastic spectral displacements is considered, and it is found that normalization with respect to inelastic spectral displacements is preferable. Expressions for residual displacement spectra are proposed for both types of normalizations and for the givenlateral-strength-ratio type oscillators.展开更多
Magnesium is one of the largely available elements in the earth’s crust. It has a low structural density with high specific strength. This unique material property has forced an increase in the use of magnesium and i...Magnesium is one of the largely available elements in the earth’s crust. It has a low structural density with high specific strength. This unique material property has forced an increase in the use of magnesium and its alloys in various applications pertaining to industrial sector,automobiles, aerospace and biomedical. Since magnesium is a highly reactive metal, it is prone to higher rate of corrosion as compared to its counterparts. Thus, it is essential to analyze the corrosion behavior of magnesium and its alloys in its applications. An appropriate process is to be followed in the design and development of magnesium alloys which overcome the limitations of magnesium and enhance the desired material properties in accordance to their applications. This review paper summarizes the importance of magnesium and its material properties. The influence of various alloying elements on the mechanical properties of magnesium is reviewed. The broad classification of Mg alloys and their behavioral trends are detailed. The corrosion behavior of magnesium and the influence of corrosion products on the material characteristics of magnesium, in aqueous medium, are discussed. The manufacturing techniques of magnesium alloys along with the secondary techniques are also covered. The various applications and the limitations of magnesium in these applications are covered. A complete section is dedicated towards detailing the recent trends of magnesium(Mg) alloys, i.e., the biodegradable nature and applications of Mg alloys. The influence of biocorrosion on Mg alloys and techniques to overcome it have been deliberated. This paper provides a thorough review on recent developments of magnesium with respect to engineering applications.展开更多
We summarize from previous works the functions of circular vs. longitudinal muscle in esophageal peristaltic bolus transport using a mix of experimental data, the conservation laws of mechanics and mathematical modeli...We summarize from previous works the functions of circular vs. longitudinal muscle in esophageal peristaltic bolus transport using a mix of experimental data, the conservation laws of mechanics and mathematical modeling. Whereas circular muscle tone generates radial closure pressure to create a local peristaltic closure wave, longitudinal muscle tone has two functions, one physiological with mechanical implications, and one purely mechanical. Each of these functions independently reduces the tension of individual circular muscle fibers to maintain closure as a consequence of shortening of longitudinal muscle locally coordinated with increasing circular muscle tone. The physiological function is deduced by combining basic laws of mechanics with concurrent measurements of intraluminal pressure from manometry, and changes in cross sectional muscle area from endoluminal ultrasound from which local longitudinal shortening (LLS) can be accurately obtained. The purely mechanical function of LLS was discovered from mathematical modeling of peristaltic esophageal transport with the axial wall motion generated by LLS. Physiologically, LLS concentrates circular muscle fibers where closure pressure is highest. However, the mechanical function of LLS is to reduce the level of pressure required to maintain closure. The combined physiological and mechanical consequences of LLS are to reduce circular muscle fiber tension and power by as much as 1/10 what would be requiredfor peristalsis without the longitudinal muscle layer, a tremendous benefit that may explain the existence of longitudinal muscle fiber in the gut. We also review what is understood of the role of longitudinal muscle in esophageal emptying, reflux and pathology.展开更多
Effect of multi-directional forging(MDF)on wear properties of Mg-Zn alloys(with 2,4,and 6wt%Zn)is investigated.Dry sliding wear test was performed using pin on disk machine on MDF processed and homogenized samples.Wea...Effect of multi-directional forging(MDF)on wear properties of Mg-Zn alloys(with 2,4,and 6wt%Zn)is investigated.Dry sliding wear test was performed using pin on disk machine on MDF processed and homogenized samples.Wear behavior of samples was analyzed at loads of ION and 20 N,with sliding distances of 2000m and 4000m,at a sliding velocity of 3m/s.Microstructures of worn samples were observed under scanning electron microscopy(SEM),energy dispersive spectroscopy(EDS),and x-ray diffraction(XRD)and the results were analyzed.Mechanical properties were evaluated using microhardness test.After 5 passes of MDF,the average grain size was found to be 30±4p m,22±3 pm,and 18±3 pm,in Mg-2%Zn,Mg-4%Zn,and Mg-6%Zn alloys,respectively,with significant improvement in hardness in all cases.Wear resistance was improved after MDF processing,as well as,with increment in Zn content in Mg alloy.However,it decreased when the load and the sliding distance increased.Worn surface exhibited ploughing,delamination,plastic deformation,and wear debris along sliding direction,and abrasive wear was found to be the main mechanism.展开更多
In this paper, an event-triggered sliding mode control approach for trajectory tracking problem of nonlinear input affine system with disturbance has been proposed. A second order robotic manipulator system has been m...In this paper, an event-triggered sliding mode control approach for trajectory tracking problem of nonlinear input affine system with disturbance has been proposed. A second order robotic manipulator system has been modeled into a general nonlinear input affine system. Initially, the global asymptotic stability is ensured with conventional periodic sampling approach for reference trajectory tracking. Then the proposed approach of event-triggered sliding mode control is discussed which guarantees semi-global uniform ultimate boundedness. The proposed control approach guarantees non-accumulation of control updates ensuring lower bounds on inter-event triggering instants avoiding Zeno behavior in presence of the disturbance. The system shows better performance in terms of reduced control updates, ensures system stability which further guarantees optimization of resource usage and cost. The simulation results are provided for validation of proposed methodology for tracking problem by a robotic manipulator. The number of aperiodic control updates is found to be approximately 44% and 61% in the presence of constant and time-varying disturbances respectively.展开更多
This paper reports a novel micro-blast driven manufacturing process for micro-forming of Aluminum foils. The micro-blast is realized by using a nanoenergetic material system comprising of Bi_2O_3 microrods and aluminu...This paper reports a novel micro-blast driven manufacturing process for micro-forming of Aluminum foils. The micro-blast is realized by using a nanoenergetic material system comprising of Bi_2O_3 microrods and aluminum particles. There is an enhanced need of forming of thin aluminum foil structures in small regions from point of view of drug packaging etc. The process developed caters to this need by using a single shot forming process using a micro-blast source. The micro-blast that is generated from an energetic composite system is made highly tunable by modulating the peak pressure generated through the blasting process and their impact in micro-forming of thin aluminum foils is observed through parametric studies. The engineering challenge involved in these experiments is to tune the blast pressure properties in order to address the forming of thin metal sheets with limiting boundary values as defined by the failure criteria. A variety of characterization techniques related to a thorough analysis of the synthesized material viz. X-ray diffraction(XRD), Scanning Electron Microscopy(SEM) etc, are used to tune the functional properties like gauge blast pressure etc, of material system. We have found a material system that can generate a maximum peak pressure of 73.8 MPa with pressurization rate of 2460 GPas^(-1) and that is able to accomplish micro-forming on thin metal foils(around 0.3 mm thickness). Experimental investigations demonstrate that tunabilty aspect of the energetic composites when exercised can enable variant processes such as embossing, coining, drilling etc. which may be of significant utility to drug packaging industries. A proper mathematical modeling of the forming process and critical process parameters therein have also been detailed.展开更多
We propose a multi-sensor multi-spectral and bi-temporal dual-polarimetric Synthetic Aperture Radar(SAR) data integration scheme for dry/wet snow mapping using Sentinel-2 and Sentinel-1 data which are freely available...We propose a multi-sensor multi-spectral and bi-temporal dual-polarimetric Synthetic Aperture Radar(SAR) data integration scheme for dry/wet snow mapping using Sentinel-2 and Sentinel-1 data which are freely available to the research community. The integration is carried out by incorporating the information retrieved from ratio images of the conventional method for wet snow mapping and the multispectral data in two different frameworks. Firstly, a simple differencing scheme is employed for dry/wet snow mapping, where the snow cover area is derived using the Normalized Differenced Snow Index(NDSI). In the second framework, the ratio images are stacked with the multispectral bands and this stack is used for supervised and unsupervised classification using support vector machines for dry/wet snow mapping. We also investigate the potential of a state of the art backscatter model for the identification of dry/wet snow using Sentinel-1 data. The results are validated using a reference map derived from RADARSAT-2 full polarimetric SAR data. A good agreement was observed between the results and the reference data with an overall accuracy greater than 0.78 for the different blending techniques examined. For all the proposed frameworks, the wet snow was better identified. The coefficient of determination between the snow wetness derived from the backscatter model and the reference based on RADARSAT-2 data was observed to be 0.58 with a significantly higher root mean square error of 1.03 % by volume.展开更多
A single-room,single-storey full-scale brick masonry building with precast RC roofing system was tested thrice under displacement controlled lateral cyclic loading,to assess the effectiveness of the basic repair and s...A single-room,single-storey full-scale brick masonry building with precast RC roofing system was tested thrice under displacement controlled lateral cyclic loading,to assess the effectiveness of the basic repair and seismic strengthening techniques.Initially,the virgin building specimen was loaded laterally to f^tilure.In the second stage,the damaged building was repaired by stitching across the cracks,and tested under the same lateral loading.In the third stage,the twice-damaged structure was repaired once more by stitching and strengthened by twin lintel belt in steel and vertical comer reinforcement, and re-tested.The building strengthened by twin lintel belt in steel showed about 28% higher strength under lateral loading than the virgin building.展开更多
Nano mechanical behavior of Mgsingle bondLi nanowire is investigated under tension and compression to elicit property alteration due to Li alloying in Mg within hexagonal range.Embedded atom method(EAM)is employed to ...Nano mechanical behavior of Mgsingle bondLi nanowire is investigated under tension and compression to elicit property alteration due to Li alloying in Mg within hexagonal range.Embedded atom method(EAM)is employed to carry out present simulation work.Nanowire under consideration is supposed to be isotropic and mechanical behavior is uninfluenced by material texture.The elastic modulus,yield strength both in tension and compression is assessed with change in strain rate.Effects of temperature in tension and compression are studied.Results of present simulation work elicit serrated yielding under uniaxial tension,however,twin mediated deformation under compression is completely tuned with previously reported experimental works.This investigation bridges nanometer scale properties to microscale material response,which in turn can be applied for designing suitable robust processing routes of this material.展开更多
Transition in the rate-dependent mechanical response of rock was investigated due to the presence of impersistent joint with different infill conditions.Four types of samples,i.e.intact,jointed with no grouting,jointe...Transition in the rate-dependent mechanical response of rock was investigated due to the presence of impersistent joint with different infill conditions.Four types of samples,i.e.intact,jointed with no grouting,jointed and grouted with cement,and jointed and grouted with epoxy,were fabricated using model material.A series of dynamic split Hopkinson pressure bar(SHPB) tests was conducted on prepared samples with strain rates varying between 53-130 salong with static uniaxial compression tests(10s).Progression of fracture/failure along samples was monitored using high-speed imaging and digital image correlation(DIC).Strength was observed to be significantly lower for jointed samples as compared to intact samples.However,the increasing trend of strength with strain rates remained similar for all types of samples.Epoxy was observed to be a better grout due to greater improvement in the strength of epoxy grouted jointed samples than cement grouted samples under both static and dynamic conditions.Significant changes were observed in fracture behavior(initiation,pattern and mechanism)with strain rate for intact and jointed unfilled/grouted samples.Fracturing was dominated by shear and tensile cracks at high strain rates compared to tensile cracks at low strain rates in all samples.Unlike static loading conditions,the location of cracks initiation shifts away from joint tips with increasing strain rate and depending upon existing infill conditions(unfilled/grouted).展开更多
Using electric vehicles(EVs)for transportation is considered as a necessary component for managing sustainable development and environmental issues.The present concerns regarding the environment,such as rapid fossil f...Using electric vehicles(EVs)for transportation is considered as a necessary component for managing sustainable development and environmental issues.The present concerns regarding the environment,such as rapid fossil fuel depletion,increases in air pollution,accelerating energy demands,global warming,and climate change,have paved the way for the electrification of the transport sector.EVs can address all of the aforementioned issues.Portable power supplies have become the lifeline of the EV world,especially lithium-ion(Li-ion)batteries.Li-ion batteries have attracted considerable attention in the EV industry,owing to their high energy density,power density,lifespan,nominal voltage,and cost.One major issue with such batteries concerns providing a quick and accurate estimation of a battery’s state and health;therefore,accurate determinations of the battery’S performance and health,as well as an accurate prediction of its life,are necessary to ensure reliability and efficiency.This study conducts a review of the technological briefs of EVs and their types,as well as the corresponding battery characteristics.Various aspects of recent research and developments in Li-ion battery prognostics and health monitoring are summarized,along with the techniques,algorithms,and models used for current/voltage estimations,state-of-charge(SoC)estimations,capacity estimations,and remaining-useful-life predictions.展开更多
AIM: To evaluate the effect of an intravenous bolus of mannitol in altering brain metabolites, brain water content, brain parenchyma volume, cerebrospinal fluid (CSF) volume and clinical signs in controls and in pa...AIM: To evaluate the effect of an intravenous bolus of mannitol in altering brain metabolites, brain water content, brain parenchyma volume, cerebrospinal fluid (CSF) volume and clinical signs in controls and in patients with acute liver failure (ALF) and acute- on-chronic liver failure (ACLF), by comparing changes in conventional magnetic resonance imaging (MRI), in vivo proton magnetic resonance spectroscopy (PMRS) and diffusion tensor imaging (DTI) before and after its infusion.METHODS: Five patients each with ALF and ACLF in grade 3 or 4 hepatic encephalopathy and with clinical signs of raised intracranial pressure were studied along with five healthy volunteers. After baseline MRI, an intravenous bolus of 20% mannitol solution was given over 10 min in controls as well as in patients with ALF and ACLE Repeat MRI for the same position was acquired 30 rnin after completing the rnannitol injection. RESULTS: No statistically significant difference was observed between controls and patients with ALF and ACLF in metabolite ratios, DTI metrics and brain volume or CSF volume following 45 rain of mannitol infusion. There was no change in clinical status at the end of post-mannitol imaging. CONCLUSION: The osmotic effect of mannitol did not result in significant reduction of brain water content, alteration in metabolite ratios or any change in the clinical status of these patients during or within 45 min of mannitol infusion.展开更多
Ground state geometries, spectral (IR and UV-Vis) properties, analysis of frontier molecular orbitals (FMOs), natural bond orbital (NBO) analysis and molecular electrostatic potential (MEP) surfaces of three transitio...Ground state geometries, spectral (IR and UV-Vis) properties, analysis of frontier molecular orbitals (FMOs), natural bond orbital (NBO) analysis and molecular electrostatic potential (MEP) surfaces of three transition metal complexes [Cu(AOYP)2(OH2)2] (A), [Ni(AOYP)2(OH2)2] (B) and [Zn-(AOYP)2(OH2)2] (C), have been studied theoretically by the Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) methods. AOYP is the oxadiazole ligand 2-(5-amino-[1,3,4]-oxadiazol-2-yl)phenol. The geometries of these complexes were initially optimized using two basis sets: LAN2DZ and a generic basis set, the latter of which was selected for subsequent analysis. The stability of the complexes arising from intramolecular interactions and electron delocalization was estimated by natural bond orbital (NBO) analysis. The NBO results showed significant charge transfer from lone pair orbitals on the AOYP donor atoms O19, O21, N15 and N36 to central metal ions in the complexes, as well as to the benzene and oxadiazole rings. The electronic spectrum of (A) showed bands at 752 and 550 nm mainly attributable to ligand-to-metal charge transfer (LMCT) transitions, and a band at 446 nm assigned to a d-d transition. The electronic spectrum of (B) consisted of bands at 540, 463 and 395 nm mainly due to d-d transitions. Calculated electronic bands for (C) occurred at 243, 238 and 235 nm, arising from intraligand charge transfer (ILCT) transitions within AOYP. A good agreement in terms of band positions was found between experimental and calculated absorption spectra of the complexes.展开更多
文摘The estimation of residual displacements in a structure due to an anticipated earthquake event has increasingly become an important component of performance-based earthquake engineering because controlling these displacements plays an important role in ensuring cost-feasible or cost-effective repairs in a damaged structure after the event.An attempt is made in this study to obtain statistical estimates of constant-ductility residual displacement spectra for bilinear and pinching oscillators with 5%initial damping,directly in terms of easily available seismological,site,and model parameters.None of the available models for the bilinear and pinching oscillators are useful when design spectra for a seismic hazard at a site are not available.The statistical estimates of a residual displacement spectrum are proposed in terms of earthquake magnitude,epicentral distance,site geology parameter,and three model parameters for a given set of ductility demand and a hysteretic energy capacity coefficient in the case of bilinear and pinching models,as well as for a given set of pinching parameters for displacement and strength at the breakpoint in the case of pinching model alone.The proposed scaling model is applicable to horizontal ground motions in the western U.S.for earthquake magnitudes less than 7 or epicentral distances greater than 20 km.
文摘This review paper provides an overview of the micropillar compression technique as applied to magnesium(Mg) and its alloys. It explores the influence of various factors, such as pillar size, shape, temperature, and strain rate on the mechanical properties of Mg.Additionally, the impact of alloying elements, aging, and precipitates in Mg alloys has been extensively examined, revealing their significant influence on mechanical performance. The study highlights the strength and strain hardening improvements in Mg with decreasing pillar size in micropillar compression. Furthermore, the role of precipitates as strengthening agents, affecting deformation mechanisms and overall mechanical response, is explored. These valuable insights are crucial for designing Mg-based materials with enhanced mechanical properties for advanced engineering applications.
基金financial support received from DST-SERBSRG/2020/000997,Indiathe initiation grant received from IIT Kanpur。
文摘The increased demand for superior materials has highlighted the need of investigating the mechanical properties of composites to achieve enhanced constitutive relationships.Fiber-reinforced polymer composites have emerged as an integral part of materials development with tailored mechanical properties.However,the complexity and heterogeneity of such composites make it considerably more challenging to have precise quantification of properties and attain an optimal design of structures through experimental and computational approaches.In order to avoid the complex,cumbersome,and labor-intensive experimental and numerical modeling approaches,a machine learning(ML)model is proposed here such that it takes the microstructural image as input with a different range of Young’s modulus of carbon fibers and neat epoxy,and obtains output as visualization of the stress component S11(principal stress in the x-direction).For obtaining the training data of the ML model,a short carbon fiberfilled specimen under quasi-static tension is modeled based on 2D Representative Area Element(RAE)using finite element analysis.The composite is inclusive of short carbon fibers with an aspect ratio of 7.5that are infilled in the epoxy systems at various random orientations and positions generated using the Simple Sequential Inhibition(SSI)process.The study reveals that the pix2pix deep learning Convolutional Neural Network(CNN)model is robust enough to predict the stress fields in the composite for a given arrangement of short fibers filled in epoxy over the specified range of Young’s modulus with high accuracy.The CNN model achieves a correlation score of about 0.999 and L2 norm of less than 0.005 for a majority of the samples in the design spectrum,indicating excellent prediction capability.In this paper,we have focused on the stage-wise chronological development of the CNN model with optimized performance for predicting the full-field stress maps of the fiber-reinforced composite specimens.The development of such a robust and efficient algorithm would significantly reduce the amount of time and cost required to study and design new composite materials through the elimination of numerical inputs by direct microstructural images.
文摘Inadequate management of large in-train forces transferred through coupler systems of a railway train leads to running and structural failures of vehicles.Understanding these phenomena and their mitigation requires accurate estimation of relative motions and in-train forces between vehicle bodies.Previous numerical studies have ignored inertia of coupling elements and the impacts between couplers.Thus,existing models underestimate the additional dynamic variations in in-train forces.Detailed multi-body dynamic models of two AAR(Association of American Railroads)coupler systems used in passenger and freight trains are developed,incorporating coupler inertia and various slacks.Due to the modeling and simulation com-plexities involved in a full train model,with such details of coupler system,actual longitudinal train dynamics is not studied.A system comprising only two coupling units,inter-connecting two consecutive vehicles,is modeled.Considered system has been fixed at one end and an excitation force is applied at the other end,to mimic a relative force transmission through combined coupler system.Simulation results obtained from this representative system show that,noticeable influence in in-train forces are expected due to the combined effect of inertia of couplers and intermittent impacts between couplers in the slack regime.Maximum amplitude of longitudinal reaction force,transferred from draft gear housing to vehicle body,is expected to be significantly higher than that predicted using existing models of coupler system.It is also observed that the couplers and knuckles are subjected to significant longitudinal and lateral contact forces,due to the intermittent impacts between couplers.Thus,accurate estimation of draft gear reaction force and impact forces between couplers are essential to design vehicle and coupler components,respectively.
基金supported by the National Natural Science Foundation of China(Grant Nos.51804157,51774183,and 11702094)the University of Sussex,UK.Both are gratefully acknowledged.
文摘Common problems in engineering projects that involve artificial ground freezing of soil or rock include inadequate thickness,strength and continuity of artificial frozen walls.It is difficult to evaluate the freezing state using only a few thermometer holes at fixed positions or with other existing approaches.Here we report a novel experimental design that investigates changes in ultrasonic properties(received waveform,wave velocity V_(p),wave amplitude,frequency spectrum,centroid frequency f_(c),kurtosis of the frequency spectrum KFS,and quality factor Q)measured during upward freezing,compared with those during uniform freezing,in order to determine the freezing state in 150 mm cubic blocks of Ardingly sandstone.Water content,porosity and density were estimated during upward freezing to ascertain water migration and changes of porosity and density at different stages.The period of receiving the wave increased substantially and coda waves changed from loose to compact during both upward and uniform freezing.The trend of increasing V_(p) can be divided into three stages during uniform freezing.During upward freezing,V_(p) increased more or less uniformly.The frequency spectrum could be used as a convenient and rapid method to identify different freezing states of sandstone(unfrozen,upward frozen,and uniformly frozen).The continuous changes in reflection coefficient r_(φ),refraction coefficient t_(φ) and acoustic impedance field are the major reason for larger reflection and refraction during upward freezing compared with uniform freezing.Wave velocity V_(p),wave amplitude A_(h),centroid frequency f_(c) and quality factor Q were adopted as ultrasonic parameters to evaluate quantitatively the temperature T of uniformly frozen sandstone,and their application within a radar chart is recommended.Determination of V_(p) provides a convenient method to evaluate the freezing state and calculate the cryofront height and frozen section thickness of upward frozen sandstone,with accuracies of 73.37%-99.23%.
文摘Reservoir heterogeneities play a crucial role in governing reservoir performance and management.Traditionally,detailed and inter-well heterogeneity analyses are commonly performed by mapping seismic facies change in the seismic data,which is a time-intensive task.Many researchers have utilized a robust Grey-level co-occurrence matrix(GLCM)-based texture attributes to map reservoir heterogeneity.However,these attributes take seismic data as input and might not be sensitive to lateral lithology variation.To incorporate the lithology information,we have developed an innovative impedance-based texture approach using GLCM workflow by integrating 3D acoustic impedance volume(a rock propertybased attribute)obtained from a deep convolution network-based impedance inversion.Our proposed workflow is anticipated to be more sensitive toward mapping lateral changes than the conventional amplitude-based texture approach,wherein seismic data is used as input.To evaluate the improvement,we applied the proposed workflow to the full-stack 3D seismic data from the Poseidon field,NW-shelf,Australia.This study demonstrates that a better demarcation of reservoir gas sands with improved lateral continuity is achievable with the presented approach compared to the conventional approach.In addition,we assess the implication of multi-stage faulting on facies distribution for effective reservoir characterization.This study also suggests a well-bounded potential reservoir facies distribution along the parallel fault lines.Thus,the proposed approach provides an efficient strategy by integrating the impedance information with texture attributes to improve the inference on reservoir heterogeneity,which can serve as a promising tool for identifying potential reservoir zones for both production benefits and fluid storage.
文摘This paper builds on exploring the applications of biomediated pathways to solve geotechnical challenges.First,the state of the art of biological remediation strategies including microbial remediation and phytoremediation have been introduced and critically reviewed in the context of decontaminating the soils.Next,biopolymerisation,biomineralisation and bioneutralisation processes have been depicted with a special emphasis on the applications including but not limited to soil stabilisation,soil erosion prevention,anti-desertification and pH neutralisation.Each of these methods have their own limitations and bottlenecks while scaling up,and these challenges have been summarised and some possible paths to overcome the challenges have also been discussed.The state of the art of electromagnetic(EM)monitoring methods to capture the effects of biomediation on spatio-temporal soil properties are then highlighted as a non-invasive and rapid pathway to track the progress of biomediated soil processes.Finally,each of the technologies discussed have been evaluated for their maturity level using the principles of technology readiness level(TRL).A majority of the technologies amounting to around 77%are still in the TRL 4e7,i.e.in the valley of death.It is thus evident that development of these technologies needs to be supported with appropriate funding for improving their maturity to a level of industrial deployment.
文摘Structures undergoing inelastic displacements during earthquake ground motions are known to sustain some amount of residual displacements, which may make them unusable or unsafe. In this study an attempt is made to estimate residual displacements for elastic-perfectly-plastic single-degree-of-freedom oscillators with a given lateral strength ratio. It is observed in the case of a class of ground motions that there are no trends in the dependence of residual displacement on the temporal features of the ground motion, and thus any estimation of residual displacements should be carried out only in the statistical sense. Statistical estimation of residual displacement spectrum via normalization with respect to inelastic or elastic spectral displacements is considered, and it is found that normalization with respect to inelastic spectral displacements is preferable. Expressions for residual displacement spectra are proposed for both types of normalizations and for the givenlateral-strength-ratio type oscillators.
文摘Magnesium is one of the largely available elements in the earth’s crust. It has a low structural density with high specific strength. This unique material property has forced an increase in the use of magnesium and its alloys in various applications pertaining to industrial sector,automobiles, aerospace and biomedical. Since magnesium is a highly reactive metal, it is prone to higher rate of corrosion as compared to its counterparts. Thus, it is essential to analyze the corrosion behavior of magnesium and its alloys in its applications. An appropriate process is to be followed in the design and development of magnesium alloys which overcome the limitations of magnesium and enhance the desired material properties in accordance to their applications. This review paper summarizes the importance of magnesium and its material properties. The influence of various alloying elements on the mechanical properties of magnesium is reviewed. The broad classification of Mg alloys and their behavioral trends are detailed. The corrosion behavior of magnesium and the influence of corrosion products on the material characteristics of magnesium, in aqueous medium, are discussed. The manufacturing techniques of magnesium alloys along with the secondary techniques are also covered. The various applications and the limitations of magnesium in these applications are covered. A complete section is dedicated towards detailing the recent trends of magnesium(Mg) alloys, i.e., the biodegradable nature and applications of Mg alloys. The influence of biocorrosion on Mg alloys and techniques to overcome it have been deliberated. This paper provides a thorough review on recent developments of magnesium with respect to engineering applications.
文摘We summarize from previous works the functions of circular vs. longitudinal muscle in esophageal peristaltic bolus transport using a mix of experimental data, the conservation laws of mechanics and mathematical modeling. Whereas circular muscle tone generates radial closure pressure to create a local peristaltic closure wave, longitudinal muscle tone has two functions, one physiological with mechanical implications, and one purely mechanical. Each of these functions independently reduces the tension of individual circular muscle fibers to maintain closure as a consequence of shortening of longitudinal muscle locally coordinated with increasing circular muscle tone. The physiological function is deduced by combining basic laws of mechanics with concurrent measurements of intraluminal pressure from manometry, and changes in cross sectional muscle area from endoluminal ultrasound from which local longitudinal shortening (LLS) can be accurately obtained. The purely mechanical function of LLS was discovered from mathematical modeling of peristaltic esophageal transport with the axial wall motion generated by LLS. Physiologically, LLS concentrates circular muscle fibers where closure pressure is highest. However, the mechanical function of LLS is to reduce the level of pressure required to maintain closure. The combined physiological and mechanical consequences of LLS are to reduce circular muscle fiber tension and power by as much as 1/10 what would be requiredfor peristalsis without the longitudinal muscle layer, a tremendous benefit that may explain the existence of longitudinal muscle fiber in the gut. We also review what is understood of the role of longitudinal muscle in esophageal emptying, reflux and pathology.
文摘Effect of multi-directional forging(MDF)on wear properties of Mg-Zn alloys(with 2,4,and 6wt%Zn)is investigated.Dry sliding wear test was performed using pin on disk machine on MDF processed and homogenized samples.Wear behavior of samples was analyzed at loads of ION and 20 N,with sliding distances of 2000m and 4000m,at a sliding velocity of 3m/s.Microstructures of worn samples were observed under scanning electron microscopy(SEM),energy dispersive spectroscopy(EDS),and x-ray diffraction(XRD)and the results were analyzed.Mechanical properties were evaluated using microhardness test.After 5 passes of MDF,the average grain size was found to be 30±4p m,22±3 pm,and 18±3 pm,in Mg-2%Zn,Mg-4%Zn,and Mg-6%Zn alloys,respectively,with significant improvement in hardness in all cases.Wear resistance was improved after MDF processing,as well as,with increment in Zn content in Mg alloy.However,it decreased when the load and the sliding distance increased.Worn surface exhibited ploughing,delamination,plastic deformation,and wear debris along sliding direction,and abrasive wear was found to be the main mechanism.
文摘In this paper, an event-triggered sliding mode control approach for trajectory tracking problem of nonlinear input affine system with disturbance has been proposed. A second order robotic manipulator system has been modeled into a general nonlinear input affine system. Initially, the global asymptotic stability is ensured with conventional periodic sampling approach for reference trajectory tracking. Then the proposed approach of event-triggered sliding mode control is discussed which guarantees semi-global uniform ultimate boundedness. The proposed control approach guarantees non-accumulation of control updates ensuring lower bounds on inter-event triggering instants avoiding Zeno behavior in presence of the disturbance. The system shows better performance in terms of reduced control updates, ensures system stability which further guarantees optimization of resource usage and cost. The simulation results are provided for validation of proposed methodology for tracking problem by a robotic manipulator. The number of aperiodic control updates is found to be approximately 44% and 61% in the presence of constant and time-varying disturbances respectively.
基金support provided by Boeing India to Indian Institute of Technology Kanpur,IndiaTEQIP funding from Government of India provided to G.B.Pant Institute of Engineering&Technology Pauri-Garhwal India
文摘This paper reports a novel micro-blast driven manufacturing process for micro-forming of Aluminum foils. The micro-blast is realized by using a nanoenergetic material system comprising of Bi_2O_3 microrods and aluminum particles. There is an enhanced need of forming of thin aluminum foil structures in small regions from point of view of drug packaging etc. The process developed caters to this need by using a single shot forming process using a micro-blast source. The micro-blast that is generated from an energetic composite system is made highly tunable by modulating the peak pressure generated through the blasting process and their impact in micro-forming of thin aluminum foils is observed through parametric studies. The engineering challenge involved in these experiments is to tune the blast pressure properties in order to address the forming of thin metal sheets with limiting boundary values as defined by the failure criteria. A variety of characterization techniques related to a thorough analysis of the synthesized material viz. X-ray diffraction(XRD), Scanning Electron Microscopy(SEM) etc, are used to tune the functional properties like gauge blast pressure etc, of material system. We have found a material system that can generate a maximum peak pressure of 73.8 MPa with pressurization rate of 2460 GPas^(-1) and that is able to accomplish micro-forming on thin metal foils(around 0.3 mm thickness). Experimental investigations demonstrate that tunabilty aspect of the energetic composites when exercised can enable variant processes such as embossing, coining, drilling etc. which may be of significant utility to drug packaging industries. A proper mathematical modeling of the forming process and critical process parameters therein have also been detailed.
基金partly supported by Project number DST-2016056, funded by the Department of Science and Technology, Government of India
文摘We propose a multi-sensor multi-spectral and bi-temporal dual-polarimetric Synthetic Aperture Radar(SAR) data integration scheme for dry/wet snow mapping using Sentinel-2 and Sentinel-1 data which are freely available to the research community. The integration is carried out by incorporating the information retrieved from ratio images of the conventional method for wet snow mapping and the multispectral data in two different frameworks. Firstly, a simple differencing scheme is employed for dry/wet snow mapping, where the snow cover area is derived using the Normalized Differenced Snow Index(NDSI). In the second framework, the ratio images are stacked with the multispectral bands and this stack is used for supervised and unsupervised classification using support vector machines for dry/wet snow mapping. We also investigate the potential of a state of the art backscatter model for the identification of dry/wet snow using Sentinel-1 data. The results are validated using a reference map derived from RADARSAT-2 full polarimetric SAR data. A good agreement was observed between the results and the reference data with an overall accuracy greater than 0.78 for the different blending techniques examined. For all the proposed frameworks, the wet snow was better identified. The coefficient of determination between the snow wetness derived from the backscatter model and the reference based on RADARSAT-2 data was observed to be 0.58 with a significantly higher root mean square error of 1.03 % by volume.
文摘A single-room,single-storey full-scale brick masonry building with precast RC roofing system was tested thrice under displacement controlled lateral cyclic loading,to assess the effectiveness of the basic repair and seismic strengthening techniques.Initially,the virgin building specimen was loaded laterally to f^tilure.In the second stage,the damaged building was repaired by stitching across the cracks,and tested under the same lateral loading.In the third stage,the twice-damaged structure was repaired once more by stitching and strengthened by twin lintel belt in steel and vertical comer reinforcement, and re-tested.The building strengthened by twin lintel belt in steel showed about 28% higher strength under lateral loading than the virgin building.
文摘Nano mechanical behavior of Mgsingle bondLi nanowire is investigated under tension and compression to elicit property alteration due to Li alloying in Mg within hexagonal range.Embedded atom method(EAM)is employed to carry out present simulation work.Nanowire under consideration is supposed to be isotropic and mechanical behavior is uninfluenced by material texture.The elastic modulus,yield strength both in tension and compression is assessed with change in strain rate.Effects of temperature in tension and compression are studied.Results of present simulation work elicit serrated yielding under uniaxial tension,however,twin mediated deformation under compression is completely tuned with previously reported experimental works.This investigation bridges nanometer scale properties to microscale material response,which in turn can be applied for designing suitable robust processing routes of this material.
文摘Transition in the rate-dependent mechanical response of rock was investigated due to the presence of impersistent joint with different infill conditions.Four types of samples,i.e.intact,jointed with no grouting,jointed and grouted with cement,and jointed and grouted with epoxy,were fabricated using model material.A series of dynamic split Hopkinson pressure bar(SHPB) tests was conducted on prepared samples with strain rates varying between 53-130 salong with static uniaxial compression tests(10s).Progression of fracture/failure along samples was monitored using high-speed imaging and digital image correlation(DIC).Strength was observed to be significantly lower for jointed samples as compared to intact samples.However,the increasing trend of strength with strain rates remained similar for all types of samples.Epoxy was observed to be a better grout due to greater improvement in the strength of epoxy grouted jointed samples than cement grouted samples under both static and dynamic conditions.Significant changes were observed in fracture behavior(initiation,pattern and mechanism)with strain rate for intact and jointed unfilled/grouted samples.Fracturing was dominated by shear and tensile cracks at high strain rates compared to tensile cracks at low strain rates in all samples.Unlike static loading conditions,the location of cracks initiation shifts away from joint tips with increasing strain rate and depending upon existing infill conditions(unfilled/grouted).
基金by Department of Science and Technology,New Delhi(Indo-Norway consortium)project entitled“Integrated Renewable Resources and Storage Operation and Management”program.
文摘Using electric vehicles(EVs)for transportation is considered as a necessary component for managing sustainable development and environmental issues.The present concerns regarding the environment,such as rapid fossil fuel depletion,increases in air pollution,accelerating energy demands,global warming,and climate change,have paved the way for the electrification of the transport sector.EVs can address all of the aforementioned issues.Portable power supplies have become the lifeline of the EV world,especially lithium-ion(Li-ion)batteries.Li-ion batteries have attracted considerable attention in the EV industry,owing to their high energy density,power density,lifespan,nominal voltage,and cost.One major issue with such batteries concerns providing a quick and accurate estimation of a battery’s state and health;therefore,accurate determinations of the battery’S performance and health,as well as an accurate prediction of its life,are necessary to ensure reliability and efficiency.This study conducts a review of the technological briefs of EVs and their types,as well as the corresponding battery characteristics.Various aspects of recent research and developments in Li-ion battery prognostics and health monitoring are summarized,along with the techniques,algorithms,and models used for current/voltage estimations,state-of-charge(SoC)estimations,capacity estimations,and remaining-useful-life predictions.
基金The Indian Council of Medical Research (Saksena S), IndiaNew Delhi (Nath K), IndiaThe National Institute of Mental Health,MH58284 and MH06595 (Thomas MA)
文摘AIM: To evaluate the effect of an intravenous bolus of mannitol in altering brain metabolites, brain water content, brain parenchyma volume, cerebrospinal fluid (CSF) volume and clinical signs in controls and in patients with acute liver failure (ALF) and acute- on-chronic liver failure (ACLF), by comparing changes in conventional magnetic resonance imaging (MRI), in vivo proton magnetic resonance spectroscopy (PMRS) and diffusion tensor imaging (DTI) before and after its infusion.METHODS: Five patients each with ALF and ACLF in grade 3 or 4 hepatic encephalopathy and with clinical signs of raised intracranial pressure were studied along with five healthy volunteers. After baseline MRI, an intravenous bolus of 20% mannitol solution was given over 10 min in controls as well as in patients with ALF and ACLE Repeat MRI for the same position was acquired 30 rnin after completing the rnannitol injection. RESULTS: No statistically significant difference was observed between controls and patients with ALF and ACLF in metabolite ratios, DTI metrics and brain volume or CSF volume following 45 rain of mannitol infusion. There was no change in clinical status at the end of post-mannitol imaging. CONCLUSION: The osmotic effect of mannitol did not result in significant reduction of brain water content, alteration in metabolite ratios or any change in the clinical status of these patients during or within 45 min of mannitol infusion.
文摘Ground state geometries, spectral (IR and UV-Vis) properties, analysis of frontier molecular orbitals (FMOs), natural bond orbital (NBO) analysis and molecular electrostatic potential (MEP) surfaces of three transition metal complexes [Cu(AOYP)2(OH2)2] (A), [Ni(AOYP)2(OH2)2] (B) and [Zn-(AOYP)2(OH2)2] (C), have been studied theoretically by the Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) methods. AOYP is the oxadiazole ligand 2-(5-amino-[1,3,4]-oxadiazol-2-yl)phenol. The geometries of these complexes were initially optimized using two basis sets: LAN2DZ and a generic basis set, the latter of which was selected for subsequent analysis. The stability of the complexes arising from intramolecular interactions and electron delocalization was estimated by natural bond orbital (NBO) analysis. The NBO results showed significant charge transfer from lone pair orbitals on the AOYP donor atoms O19, O21, N15 and N36 to central metal ions in the complexes, as well as to the benzene and oxadiazole rings. The electronic spectrum of (A) showed bands at 752 and 550 nm mainly attributable to ligand-to-metal charge transfer (LMCT) transitions, and a band at 446 nm assigned to a d-d transition. The electronic spectrum of (B) consisted of bands at 540, 463 and 395 nm mainly due to d-d transitions. Calculated electronic bands for (C) occurred at 243, 238 and 235 nm, arising from intraligand charge transfer (ILCT) transitions within AOYP. A good agreement in terms of band positions was found between experimental and calculated absorption spectra of the complexes.