In this paper a simplified computation method of natural frequency of jacket platforms is given. Shear, bending and rotary inertia effects are considered in the equation, while the jacket shape, rotary inertia and cen...In this paper a simplified computation method of natural frequency of jacket platforms is given. Shear, bending and rotary inertia effects are considered in the equation, while the jacket shape, rotary inertia and centralized mass of the platform top are all determined by using a coefficient-revising method.展开更多
Fast computation of the landing footprint of a space-to-ground vehicle is a basic requirement for the deployment of parking orbits, as well as for enabling decision makers to develop real-time programs of transfer tra...Fast computation of the landing footprint of a space-to-ground vehicle is a basic requirement for the deployment of parking orbits, as well as for enabling decision makers to develop real-time programs of transfer trajectories. In order to address the usually slow computational time for the determination of the landing footprint of a space-to-ground vehicle under finite thrust, this work proposes a method that uses polynomial equations to describe the boundaries of the landing footprint and uses back propagation(BP) neural networks to quickly determine the landing footprint of the space-to-ground vehicle. First, given orbital parameters and a manoeuvre moment, the solution model of the landing footprint of a space-to-ground vehicle under finite thrust is established. Second, given arbitrary orbital parameters and an arbitrary manoeuvre moment, a fast computational model for the landing footprint of a space-to-ground vehicle based on BP neural networks is provided.Finally, the simulation results demonstrate that under the premise of ensuring accuracy, the proposed method can quickly determine the landing footprint of a space-to-ground vehicle with arbitrary orbital parameters and arbitrary manoeuvre moments. The proposed fast computational method for determining a landing footprint lays a foundation for the parking-orbit configuration and supports the design of real-time transfer trajectories.展开更多
The present paper reviews the recent developments of a high⁃order⁃spectral method(HOS)and the combination with computational fluid dynamics(CFD)method for wave⁃structure interactions.As the numerical simulations of wa...The present paper reviews the recent developments of a high⁃order⁃spectral method(HOS)and the combination with computational fluid dynamics(CFD)method for wave⁃structure interactions.As the numerical simulations of wave⁃structure interaction require efficiency and accuracy,as well as the ability in calculating in open sea states,the HOS method has its strength in both generating extreme waves in open seas and fast convergence in simulations,while computational fluid dynamics(CFD)method has its advantages in simulating violent wave⁃structure interactions.This paper provides the new thoughts for fast and accurate simulations,as well as the future work on innovations in fine fluid field of numerical simulations.展开更多
Novel coronavirus disease 2019(COVID-19)is an ongoing health emergency.Several studies are related to COVID-19.However,its molecular mechanism remains unclear.The rapid publication of COVID-19 provides a new way to el...Novel coronavirus disease 2019(COVID-19)is an ongoing health emergency.Several studies are related to COVID-19.However,its molecular mechanism remains unclear.The rapid publication of COVID-19 provides a new way to elucidate its mechanism through computational methods.This paper proposes a prediction method for mining genotype information related to COVID-19 from the perspective of molecular mechanisms based on machine learning.The method obtains seed genes based on prior knowledge.Candidate genes are mined from biomedical literature.The candidate genes are scored by machine learning based on the similarities measured between the seed and candidate genes.Furthermore,the results of the scores are used to perform functional enrichment analyses,including KEGG,interaction network,and Gene Ontology,for exploring the molecular mechanism of COVID-19.Experimental results show that the method is promising for mining genotype information to explore the molecular mechanism related to COVID-19.展开更多
In 2021,most of the developing countries are fighting polio,and parents are concerned with the disabling of their children.Poliovirus transmits from person to person,which can infect the spinal cord,and paralyzes the ...In 2021,most of the developing countries are fighting polio,and parents are concerned with the disabling of their children.Poliovirus transmits from person to person,which can infect the spinal cord,and paralyzes the parts of the body within a matter of hours.According to the World Health Organization(WHO),18 million currently healthy people could have been paralyzed by the virus during 1988–2020.Almost all countries but Pakistan,Afghanistan,and a fewmore have been declared polio-free.The mathematical modeling of poliovirus is studied in the population by categorizing it as susceptible individuals(S),exposed individuals(E),infected individuals(I),and recovered individuals(R).In this study,we study the fundamental properties such as positivity and boundedness of the model.We also rigorously study the model’s stability and equilibria with or without poliovirus.For numerical study,we design the Euler,Runge–Kutta,and nonstandard finite difference method.However,the standard techniques are time-dependent and fail to present the results for an extended period.The nonstandard finite difference method works well to study disease dynamics for a long time without any constraints.Finally,the results of different methods are compared to prove their effectiveness.展开更多
This study is a digital form-finding and manual fabrication experiment in woven architectural design,with one traditional weaving style,Kagome,used to scale the craft up into an architectural-scale bamboo woven artifa...This study is a digital form-finding and manual fabrication experiment in woven architectural design,with one traditional weaving style,Kagome,used to scale the craft up into an architectural-scale bamboo woven artifact.Kagome is a trihexagonal pattern employed in traditional bamboo basketry as a triaxial weaving system,resulting in an object with a self-bracing capacity without the use of fasteners owing to its interlacing lattices.Although existing studies and tools have addressed triaxial weaving design and representation,the current consideration of the advantages of weaving with bamboo is insufficient.To address this research gap,this study develops a computational design method based on studies on bamboo basketry.This allows for the representation and exploration of design geometries using combinations of regular triangular meshes for the fabrication of Kagome woven bamboo artifacts.A full-scale mock-up was fabricated to evaluate the effectiveness of the method.The mock-up demonstrated the self-bracing properties of Kagome,but there were discrepancies between the mock-up and the design.Factors affecting bamboo weaving on an architectural scale have been identified within this study to inform future research on woven bamboo structures.展开更多
Identifying thermal bridges on building façades has been a great challenge for architects,especially during the conceptual design stage.This is not only due to the complexity of parameters when calculating therma...Identifying thermal bridges on building façades has been a great challenge for architects,especially during the conceptual design stage.This is not only due to the complexity of parameters when calculating thermal bridges,but also lack of feature integration between building energy simulation(BES)tools and the actual building conditions.For example,existing BES tools predominantly calculate thermal bridges only in steady state without considering the temperature dynamic behaviour of building outdoors.Consequently,relevant features such as thermal delay,decrement factor,and operative temperature are often neglected,and this can lead to miscalculation of energy consumption.This study then proposes an integrated method to calculate dynamic thermal bridges under transient conditions by incorporating field observations and computational simulations of thermal bridges.More specifically,the proposed method employs several measurement tools such as HOBO data logger to record the actual conditions of indoor and outdoor room temperature and thermal cameras to identify the surface temperature of selected building junctions.The actual datasets are then integrated with the simulation workflow developed in BES tools.This study ultimately enables architects not only to identify potential thermal bridges on existing building façades but also to support material and geometric exploration in early design phase.展开更多
Hydrophobic Val derivative Schiff base copper(II) complexes and dipeptide (AlaAla, GlyGly) derivative Schiff base copper(II) complexes were introduced into egg white lysozyme. X-ray crystal structure analysis revealed...Hydrophobic Val derivative Schiff base copper(II) complexes and dipeptide (AlaAla, GlyGly) derivative Schiff base copper(II) complexes were introduced into egg white lysozyme. X-ray crystal structure analysis revealed amino acid derivative Schiff base copper(II) complexes were obtained. Herein we discuss primarily on the binding mode of copper(II) of the complexes obtained with egg white lysozyme. The electron density of copper(II) ions was confirmed by X-ray crystal structure analysis. The Val derivative Schiff base copper(II) complex was weakly bound at Arg114 of egg white lysozyme. In other copper(II) complexes, binding of copper(II) ions with dissociated ligands to various residues was observed. The binding sites of copper(II) ions were compared with computational scientific predictions.展开更多
Almost all the cellular processes in a living system are controlled by proteins:They regulate gene expression,catalyze chemical reactions,transport small molecules across membranes,and transmit signal across membranes...Almost all the cellular processes in a living system are controlled by proteins:They regulate gene expression,catalyze chemical reactions,transport small molecules across membranes,and transmit signal across membranes.Even,a viral infection is often initiated through virus-host protein interactions.Protein-protein interactions(PPIs)are the physical contacts between two or more proteins and they represent complex biological functions.Nowadays,PPIs have been used to construct PPI networks to study complex pathways for revealing the functions of unknown proteins.Scientists have used PPIs to find the molecular basis of certain diseases and also some potential drug targets.In this review,we will discuss how PPI networks are essential to understand the molecular basis of virus-host relationships and several databases which are dedicated to virus-host interaction studies.Here,we present a short but comprehensive review on PPIs,including the experimental and computational methods of finding PPIs,the databases dedicated to virus-host PPIs,and the associated various applications in protein interaction networks of some lethal viruses with their hosts.展开更多
We present numerical modeling of SH-wave propagation for the recently proposed whole Moon model and try to improve our understanding of lunar seismic wave propagation. We use a hybrid PSM/FDM method on staggered grids...We present numerical modeling of SH-wave propagation for the recently proposed whole Moon model and try to improve our understanding of lunar seismic wave propagation. We use a hybrid PSM/FDM method on staggered grids to solve the wave equations and implement the calculation on a parallel PC cluster to improve the computing efficiency. Features of global SH-wave propagation are firstly discussed for a 100-km shallow and900-km deep moonquakes, respectively. Effects of frequency range and lateral variation of crust thickness are then investigated with various models. Our synthetic waveforms are finally compared with observed Apollo data to show the features of wave propagation that were produced by our model and those not reproduced by our models. Our numerical modeling show that the low-velocity upper crust plays significant role in the development of reverberating wave trains. Increasing frequency enhances the strength and duration of the reverberations.Surface multiples dominate wavefields for shallow event.Core–mantle reflections can be clearly identified for deep event at low frequency. The layered whole Moon model and the low-velocity upper crust produce the reverberating wave trains following each phases consistent with observation. However, more realistic Moon model should be considered in order to explain the strong and slow decay scattering between various phases shown on observation data.展开更多
Three-dimensional(3 D) reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction, with many cryo-electron microscopy techniques firs...Three-dimensional(3 D) reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction, with many cryo-electron microscopy techniques first established for structural studies of icosahedral viruses, owing to their high symmetry and large mass. This review summarizes the computational methods for icosahedral and symmetry-mismatch reconstruction of viruses, as well as the likely challenges and bottlenecks in virus reconstruction, such as symmetry mismatch reconstruction, contrast transformation function(CTF)correction, and particle distortion.展开更多
The computational methods of a typical dynamic mathematical model that can describe the differential element and the inertial element for the system simulation are researched. The stability of numerical solutions of t...The computational methods of a typical dynamic mathematical model that can describe the differential element and the inertial element for the system simulation are researched. The stability of numerical solutions of the dynamic mathematical model is researched. By means of theoretical analysis, the error formulas, the error sign criteria and the error relationship criterion of the implicit Euler method and the trapezoidal method are given, the dynamic factor affecting the computational accuracy has been found, the formula and the methods of computing the dynamic factor are given. The computational accuracy of the dynamic mathematical model like this can be improved by use of the dynamic factor.展开更多
An algorithm for the computation of the unstructured real stability radius of high dimensional linearsystem is presented. Using the accurate formula of the real stability radius of 2-dimensional system linear systemch...An algorithm for the computation of the unstructured real stability radius of high dimensional linearsystem is presented. Using the accurate formula of the real stability radius of 2-dimensional system linear systemchecks the algorithm. The result shows that the algorithm is reliable and efficient. As applications, the unstructuredreal stability radii of 2-dimensional Chua's circuit and 3-dimensional piecewise-linear system are calculated, thedynamical orbits of the corresponding perturbed systems are simulated.展开更多
A two-phase wedge-sliding model is developed based on the micro-cellular structure and minimum entropy theory of a stable system, and it is used to describe the ingredient distribution of a mixed fluid in a non-unifor...A two-phase wedge-sliding model is developed based on the micro-cellular structure and minimum entropy theory of a stable system, and it is used to describe the ingredient distribution of a mixed fluid in a non-uniform stress field and to analyse its phase drift phenomenon. In the model, the drift-inhibition angle and the expansion-inhibition angle are also deduced and used as evaluating indexes to describe the drifting trend of different ingredients among the mixed fluids. For solving above two indexes of the model, a new calculation method is developed and used to compute the phase distributions of multiphase fluid at peak stress and gradient area stress, respectively. As an example, the flow process of grease in a pipe is analysed by simulation method and used to verify the validity of the model.展开更多
Attempting to find a fast computing method to DHT (distinguished hyperbolic trajectory), this study first proves that the errors of the stable DHT can be ignored in normal direction when they are computed as the tra...Attempting to find a fast computing method to DHT (distinguished hyperbolic trajectory), this study first proves that the errors of the stable DHT can be ignored in normal direction when they are computed as the trajectories extend. This conclusion means that the stable flow with perturbation will approach to the real trajectory as it extends over time. Based on this theory and combined with the improved DHT computing method, this paper reports a new fast computing method to DHT, which magnifies the DHT computing speed without decreasing its accuracy.展开更多
A numerical investigation of the structure of the vortical flowfield over delta wings at high angles of attack in longitudinal and with small sideslip angle is presented. Three-dimensional Navier-Stokes numerical simu...A numerical investigation of the structure of the vortical flowfield over delta wings at high angles of attack in longitudinal and with small sideslip angle is presented. Three-dimensional Navier-Stokes numerical simulations were carried out to predict the complex leeward-side flowfield characteristics that are dominated by the effect of the breakdown of the leading-edge vortices. The methods that analyze the flowfield structure quantitatively were given by using flowfield data from the computational results. In the region before the vortex breakdown, the vortex axes are approximated as being straight line. As the angle of attack increases, the vortex axes are closer to the root chord, and farther away from the wing surface. Along the vortex axes, as the adverse pressure gradients occur, the axial velocity decreases, that is, A is negativee, so the vortex is unstable, and it is possible to breakdown. The occurrence of the breakdown results in the instability of lateral motion for a delta wing, and the lateral moment diverges after a small perturbation occurs at high angles of attack. However, after a critical angle of attack is reached the vortices breakdown completely at the wing apex, and the instability resulting from the vortex breakdown disappears.展开更多
A pure two-body problem has seven integrals including the Kepler energy,the Laplace vector and the angular momentum vector.However,only five of them are independent.When the five independent integrals are preserved,th...A pure two-body problem has seven integrals including the Kepler energy,the Laplace vector and the angular momentum vector.However,only five of them are independent.When the five independent integrals are preserved,the two other dependent integrals are naturally preserved from a theoretical viewpoint;but they may not necessarily be from a numerical computational viewpoint.Because of this,we use seven scale factors to adjust the integrated positions and velocities so that the adjusted solutions strictly satisfy the seven constraints.Noticing the existence of the two dependent integrals,we adopt the Newton iterative method combined with singular value decomposition to calculate these factors.This correction scheme can be applied to perturbed two-body and N-body problems in the solar system.In this case,the seven quantities associated with each planet slowly vary with time.More accurate values can be given to the seven slowly-varying quantities by integrating the integral invariant relations of these quantities and the equations of motion.They should be satisfied with the adjusted solutions.Numerical tests show that the new method can significantly reduce the rapid growth of numerical errors for all orbital elements.展开更多
Ultimate bearing capacity(UBC)is a key subject in geotechnical/foundation engineering as it determines the limit of loads imposed on the foundation.The most reliable means of determining UBC is through experiment,but ...Ultimate bearing capacity(UBC)is a key subject in geotechnical/foundation engineering as it determines the limit of loads imposed on the foundation.The most reliable means of determining UBC is through experiment,but it is costly and time-consuming which has led to the development of various models based on the simplified assumptions.The outcomes of the models are usually validated with the experimental results,but a large gap usually exists between them.Therefore,a model that can give a close prediction of the experimental results is imperative.This study proposes a grasshopper optimization algorithm(GOA)and salp swarm algorithm(SSA)to optimize artificial neural networks(ANNs)using the existing UBC experimental database.The performances of the proposed models are evaluated using various statistical indices.The obtained results are compared with the existing models.The proposed models outperformed the existing models.The proposed hybrid GOA-ANN and SSA-ANN models are then transformed into mathematical forms that can be incorporated into geotechnical/foundation engineering design codes for accurate UBC measurements.展开更多
The twenty-first century is one of the most complex in the history of humanity,mainly due to the ecological crisis it is going through.The construction sector generates about 40%of CO2 emissions into the environment;t...The twenty-first century is one of the most complex in the history of humanity,mainly due to the ecological crisis it is going through.The construction sector generates about 40%of CO2 emissions into the environment;the foregoing should motivate this sector to seek new alternatives to develop new building practices.Taking these current needs into account,this document classifies and presents a multidisciplinary solution that integrates biology,engineering and architecture to develop a new and innovative lightweight timber structure;it divides with a main structure made of timber and an innovative joint system made of bio-polymers connecting all the panels.Through the study of diatoms,it was able to analyze the bio-morphology of the structure,joints and in particular the geometry since they were the inspiration for the design of this structure that presents an innovative and novel design of structural optimization.Through parametric design and digital fabrication,it was able to create a complex geometry that obtains excellent structural behavior.This research discusses and explores how materials,geometry led to the optimization of a structure and how new structures can arise,thanks to biology new solutions can be obtained that are completely sustainable,being a clear example of how to combat the effects of the climate change and in a precise way it highlights the advantages of the bio-design in the architectural design.展开更多
基金The project is supported by the National Natural Science Foundation of China
文摘In this paper a simplified computation method of natural frequency of jacket platforms is given. Shear, bending and rotary inertia effects are considered in the equation, while the jacket shape, rotary inertia and centralized mass of the platform top are all determined by using a coefficient-revising method.
基金supported by the National Natural Science Foundation of China (61603398)。
文摘Fast computation of the landing footprint of a space-to-ground vehicle is a basic requirement for the deployment of parking orbits, as well as for enabling decision makers to develop real-time programs of transfer trajectories. In order to address the usually slow computational time for the determination of the landing footprint of a space-to-ground vehicle under finite thrust, this work proposes a method that uses polynomial equations to describe the boundaries of the landing footprint and uses back propagation(BP) neural networks to quickly determine the landing footprint of the space-to-ground vehicle. First, given orbital parameters and a manoeuvre moment, the solution model of the landing footprint of a space-to-ground vehicle under finite thrust is established. Second, given arbitrary orbital parameters and an arbitrary manoeuvre moment, a fast computational model for the landing footprint of a space-to-ground vehicle based on BP neural networks is provided.Finally, the simulation results demonstrate that under the premise of ensuring accuracy, the proposed method can quickly determine the landing footprint of a space-to-ground vehicle with arbitrary orbital parameters and arbitrary manoeuvre moments. The proposed fast computational method for determining a landing footprint lays a foundation for the parking-orbit configuration and supports the design of real-time transfer trajectories.
基金National Natural Science Foundation of China(Grant No.51879159)the National Key Research and Development Program of China(Grant Nos.2019YFB1704200 and 2019YFC0312400)+2 种基金the Chang Jiang Scholars Program(Grant No.T2014099)the Shanghai Excellent Academic Leaders Program(Grant No.17XD1402300)the Innovative Special Project of Numerical Tank of Ministry of Industry and Information Technology of China(Grant No.2016-23/09).
文摘The present paper reviews the recent developments of a high⁃order⁃spectral method(HOS)and the combination with computational fluid dynamics(CFD)method for wave⁃structure interactions.As the numerical simulations of wave⁃structure interaction require efficiency and accuracy,as well as the ability in calculating in open sea states,the HOS method has its strength in both generating extreme waves in open seas and fast convergence in simulations,while computational fluid dynamics(CFD)method has its advantages in simulating violent wave⁃structure interactions.This paper provides the new thoughts for fast and accurate simulations,as well as the future work on innovations in fine fluid field of numerical simulations.
基金This research is supported by the National Natural Science Foundation of China(Grant Nos.61502243,61802193)Natural Science Foundation of Jiangsu Province(BK20170934)+4 种基金Zhejiang Engineering Research Center of Intelligent Medicine under 2016E10011China Postdoctoral Science Foundation(2018M632349)NUPTSF(NY217136)Foundation of Smart Health Big Data Analysis and Location Services Engineering Laboratory of Jiangsu Province(SHEL221-001)Natural Science Foundation of the Higher Education Institutions of Jiangsu Province in China(16KJD520003).
文摘Novel coronavirus disease 2019(COVID-19)is an ongoing health emergency.Several studies are related to COVID-19.However,its molecular mechanism remains unclear.The rapid publication of COVID-19 provides a new way to elucidate its mechanism through computational methods.This paper proposes a prediction method for mining genotype information related to COVID-19 from the perspective of molecular mechanisms based on machine learning.The method obtains seed genes based on prior knowledge.Candidate genes are mined from biomedical literature.The candidate genes are scored by machine learning based on the similarities measured between the seed and candidate genes.Furthermore,the results of the scores are used to perform functional enrichment analyses,including KEGG,interaction network,and Gene Ontology,for exploring the molecular mechanism of COVID-19.Experimental results show that the method is promising for mining genotype information to explore the molecular mechanism related to COVID-19.
基金The authors express their gratitude to Princess Nourah bint Abdulrahman University Researchers Supporting Project(Grant No.PNURSP2022R61),Princess Nourah bint Abdulrahman University,Riyadh,Saudi Arabia.
文摘In 2021,most of the developing countries are fighting polio,and parents are concerned with the disabling of their children.Poliovirus transmits from person to person,which can infect the spinal cord,and paralyzes the parts of the body within a matter of hours.According to the World Health Organization(WHO),18 million currently healthy people could have been paralyzed by the virus during 1988–2020.Almost all countries but Pakistan,Afghanistan,and a fewmore have been declared polio-free.The mathematical modeling of poliovirus is studied in the population by categorizing it as susceptible individuals(S),exposed individuals(E),infected individuals(I),and recovered individuals(R).In this study,we study the fundamental properties such as positivity and boundedness of the model.We also rigorously study the model’s stability and equilibria with or without poliovirus.For numerical study,we design the Euler,Runge–Kutta,and nonstandard finite difference method.However,the standard techniques are time-dependent and fail to present the results for an extended period.The nonstandard finite difference method works well to study disease dynamics for a long time without any constraints.Finally,the results of different methods are compared to prove their effectiveness.
基金the Start-up Grant from the School of Architecture at The Chinese University of Hong Kong[ARC]partially by the General Research Fund[RGC Ref.No.CUHK 14617122]from the Hong Kong Research Grants Council.
文摘This study is a digital form-finding and manual fabrication experiment in woven architectural design,with one traditional weaving style,Kagome,used to scale the craft up into an architectural-scale bamboo woven artifact.Kagome is a trihexagonal pattern employed in traditional bamboo basketry as a triaxial weaving system,resulting in an object with a self-bracing capacity without the use of fasteners owing to its interlacing lattices.Although existing studies and tools have addressed triaxial weaving design and representation,the current consideration of the advantages of weaving with bamboo is insufficient.To address this research gap,this study develops a computational design method based on studies on bamboo basketry.This allows for the representation and exploration of design geometries using combinations of regular triangular meshes for the fabrication of Kagome woven bamboo artifacts.A full-scale mock-up was fabricated to evaluate the effectiveness of the method.The mock-up demonstrated the self-bracing properties of Kagome,but there were discrepancies between the mock-up and the design.Factors affecting bamboo weaving on an architectural scale have been identified within this study to inform future research on woven bamboo structures.
基金This research is funded by Directorate of Research and Development,Universitas Indonesia under Hibah PUTI Q1 Batch 22022(NKB-1149/UN2.RST/HKP.05.00/2022)awarded to Dr.Miktha Farid Alkadri S.Ars.,M.Ars.We also thank to Dr.Eng.Arnas,ST.,M.T.,from the Department of Mechanical Engineering,Universitas Indonesia,who has provided valuable input during the research process and HTflux team who has supplied a license for thermal bridge simulation.
文摘Identifying thermal bridges on building façades has been a great challenge for architects,especially during the conceptual design stage.This is not only due to the complexity of parameters when calculating thermal bridges,but also lack of feature integration between building energy simulation(BES)tools and the actual building conditions.For example,existing BES tools predominantly calculate thermal bridges only in steady state without considering the temperature dynamic behaviour of building outdoors.Consequently,relevant features such as thermal delay,decrement factor,and operative temperature are often neglected,and this can lead to miscalculation of energy consumption.This study then proposes an integrated method to calculate dynamic thermal bridges under transient conditions by incorporating field observations and computational simulations of thermal bridges.More specifically,the proposed method employs several measurement tools such as HOBO data logger to record the actual conditions of indoor and outdoor room temperature and thermal cameras to identify the surface temperature of selected building junctions.The actual datasets are then integrated with the simulation workflow developed in BES tools.This study ultimately enables architects not only to identify potential thermal bridges on existing building façades but also to support material and geometric exploration in early design phase.
文摘Hydrophobic Val derivative Schiff base copper(II) complexes and dipeptide (AlaAla, GlyGly) derivative Schiff base copper(II) complexes were introduced into egg white lysozyme. X-ray crystal structure analysis revealed amino acid derivative Schiff base copper(II) complexes were obtained. Herein we discuss primarily on the binding mode of copper(II) of the complexes obtained with egg white lysozyme. The electron density of copper(II) ions was confirmed by X-ray crystal structure analysis. The Val derivative Schiff base copper(II) complex was weakly bound at Arg114 of egg white lysozyme. In other copper(II) complexes, binding of copper(II) ions with dissociated ligands to various residues was observed. The binding sites of copper(II) ions were compared with computational scientific predictions.
基金National Natural Science Foundation of China,No.31971180 and No.11474013.
文摘Almost all the cellular processes in a living system are controlled by proteins:They regulate gene expression,catalyze chemical reactions,transport small molecules across membranes,and transmit signal across membranes.Even,a viral infection is often initiated through virus-host protein interactions.Protein-protein interactions(PPIs)are the physical contacts between two or more proteins and they represent complex biological functions.Nowadays,PPIs have been used to construct PPI networks to study complex pathways for revealing the functions of unknown proteins.Scientists have used PPIs to find the molecular basis of certain diseases and also some potential drug targets.In this review,we will discuss how PPI networks are essential to understand the molecular basis of virus-host relationships and several databases which are dedicated to virus-host interaction studies.Here,we present a short but comprehensive review on PPIs,including the experimental and computational methods of finding PPIs,the databases dedicated to virus-host PPIs,and the associated various applications in protein interaction networks of some lethal viruses with their hosts.
基金supported by the National Natural Science Foundation of China(Grants 41374046 and41174034)
文摘We present numerical modeling of SH-wave propagation for the recently proposed whole Moon model and try to improve our understanding of lunar seismic wave propagation. We use a hybrid PSM/FDM method on staggered grids to solve the wave equations and implement the calculation on a parallel PC cluster to improve the computing efficiency. Features of global SH-wave propagation are firstly discussed for a 100-km shallow and900-km deep moonquakes, respectively. Effects of frequency range and lateral variation of crust thickness are then investigated with various models. Our synthetic waveforms are finally compared with observed Apollo data to show the features of wave propagation that were produced by our model and those not reproduced by our models. Our numerical modeling show that the low-velocity upper crust plays significant role in the development of reverberating wave trains. Increasing frequency enhances the strength and duration of the reverberations.Surface multiples dominate wavefields for shallow event.Core–mantle reflections can be clearly identified for deep event at low frequency. The layered whole Moon model and the low-velocity upper crust produce the reverberating wave trains following each phases consistent with observation. However, more realistic Moon model should be considered in order to explain the strong and slow decay scattering between various phases shown on observation data.
基金Project supported by the National Key R&D Program of China(Grant No.2016YFA0501100)the National Natural Science Foundation of China(Grant Nos.91530321,31570742,and 31570727)Science and Technology Planning Project of Hunan Province,China(Grant No.2017RS3033)
文摘Three-dimensional(3 D) reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction, with many cryo-electron microscopy techniques first established for structural studies of icosahedral viruses, owing to their high symmetry and large mass. This review summarizes the computational methods for icosahedral and symmetry-mismatch reconstruction of viruses, as well as the likely challenges and bottlenecks in virus reconstruction, such as symmetry mismatch reconstruction, contrast transformation function(CTF)correction, and particle distortion.
文摘The computational methods of a typical dynamic mathematical model that can describe the differential element and the inertial element for the system simulation are researched. The stability of numerical solutions of the dynamic mathematical model is researched. By means of theoretical analysis, the error formulas, the error sign criteria and the error relationship criterion of the implicit Euler method and the trapezoidal method are given, the dynamic factor affecting the computational accuracy has been found, the formula and the methods of computing the dynamic factor are given. The computational accuracy of the dynamic mathematical model like this can be improved by use of the dynamic factor.
文摘An algorithm for the computation of the unstructured real stability radius of high dimensional linearsystem is presented. Using the accurate formula of the real stability radius of 2-dimensional system linear systemchecks the algorithm. The result shows that the algorithm is reliable and efficient. As applications, the unstructuredreal stability radii of 2-dimensional Chua's circuit and 3-dimensional piecewise-linear system are calculated, thedynamical orbits of the corresponding perturbed systems are simulated.
基金Project supported by the National Natural Science Foundation of China (Grant No. 51075311)
文摘A two-phase wedge-sliding model is developed based on the micro-cellular structure and minimum entropy theory of a stable system, and it is used to describe the ingredient distribution of a mixed fluid in a non-uniform stress field and to analyse its phase drift phenomenon. In the model, the drift-inhibition angle and the expansion-inhibition angle are also deduced and used as evaluating indexes to describe the drifting trend of different ingredients among the mixed fluids. For solving above two indexes of the model, a new calculation method is developed and used to compute the phase distributions of multiphase fluid at peak stress and gradient area stress, respectively. As an example, the flow process of grease in a pipe is analysed by simulation method and used to verify the validity of the model.
基金supported by the National Natural Science Foundation of China (Grant No. 60872159)
文摘Attempting to find a fast computing method to DHT (distinguished hyperbolic trajectory), this study first proves that the errors of the stable DHT can be ignored in normal direction when they are computed as the trajectories extend. This conclusion means that the stable flow with perturbation will approach to the real trajectory as it extends over time. Based on this theory and combined with the improved DHT computing method, this paper reports a new fast computing method to DHT, which magnifies the DHT computing speed without decreasing its accuracy.
基金Project supported by the Foundation of Aeronautical Science (No.99A53001)
文摘A numerical investigation of the structure of the vortical flowfield over delta wings at high angles of attack in longitudinal and with small sideslip angle is presented. Three-dimensional Navier-Stokes numerical simulations were carried out to predict the complex leeward-side flowfield characteristics that are dominated by the effect of the breakdown of the leading-edge vortices. The methods that analyze the flowfield structure quantitatively were given by using flowfield data from the computational results. In the region before the vortex breakdown, the vortex axes are approximated as being straight line. As the angle of attack increases, the vortex axes are closer to the root chord, and farther away from the wing surface. Along the vortex axes, as the adverse pressure gradients occur, the axial velocity decreases, that is, A is negativee, so the vortex is unstable, and it is possible to breakdown. The occurrence of the breakdown results in the instability of lateral motion for a delta wing, and the lateral moment diverges after a small perturbation occurs at high angles of attack. However, after a critical angle of attack is reached the vortices breakdown completely at the wing apex, and the instability resulting from the vortex breakdown disappears.
基金the National Natural Science Foundation of China(Grant Nos.11703005,11533004,11178006,11673071,11263003 , 11273066).
文摘A pure two-body problem has seven integrals including the Kepler energy,the Laplace vector and the angular momentum vector.However,only five of them are independent.When the five independent integrals are preserved,the two other dependent integrals are naturally preserved from a theoretical viewpoint;but they may not necessarily be from a numerical computational viewpoint.Because of this,we use seven scale factors to adjust the integrated positions and velocities so that the adjusted solutions strictly satisfy the seven constraints.Noticing the existence of the two dependent integrals,we adopt the Newton iterative method combined with singular value decomposition to calculate these factors.This correction scheme can be applied to perturbed two-body and N-body problems in the solar system.In this case,the seven quantities associated with each planet slowly vary with time.More accurate values can be given to the seven slowly-varying quantities by integrating the integral invariant relations of these quantities and the equations of motion.They should be satisfied with the adjusted solutions.Numerical tests show that the new method can significantly reduce the rapid growth of numerical errors for all orbital elements.
基金supported by Korea Research Fellowship Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Science and ICT(Grant No.2019H1D3A1A01102993)the Inha University Research Grant(2022).
文摘Ultimate bearing capacity(UBC)is a key subject in geotechnical/foundation engineering as it determines the limit of loads imposed on the foundation.The most reliable means of determining UBC is through experiment,but it is costly and time-consuming which has led to the development of various models based on the simplified assumptions.The outcomes of the models are usually validated with the experimental results,but a large gap usually exists between them.Therefore,a model that can give a close prediction of the experimental results is imperative.This study proposes a grasshopper optimization algorithm(GOA)and salp swarm algorithm(SSA)to optimize artificial neural networks(ANNs)using the existing UBC experimental database.The performances of the proposed models are evaluated using various statistical indices.The obtained results are compared with the existing models.The proposed models outperformed the existing models.The proposed hybrid GOA-ANN and SSA-ANN models are then transformed into mathematical forms that can be incorporated into geotechnical/foundation engineering design codes for accurate UBC measurements.
文摘The twenty-first century is one of the most complex in the history of humanity,mainly due to the ecological crisis it is going through.The construction sector generates about 40%of CO2 emissions into the environment;the foregoing should motivate this sector to seek new alternatives to develop new building practices.Taking these current needs into account,this document classifies and presents a multidisciplinary solution that integrates biology,engineering and architecture to develop a new and innovative lightweight timber structure;it divides with a main structure made of timber and an innovative joint system made of bio-polymers connecting all the panels.Through the study of diatoms,it was able to analyze the bio-morphology of the structure,joints and in particular the geometry since they were the inspiration for the design of this structure that presents an innovative and novel design of structural optimization.Through parametric design and digital fabrication,it was able to create a complex geometry that obtains excellent structural behavior.This research discusses and explores how materials,geometry led to the optimization of a structure and how new structures can arise,thanks to biology new solutions can be obtained that are completely sustainable,being a clear example of how to combat the effects of the climate change and in a precise way it highlights the advantages of the bio-design in the architectural design.