Developing a high-performance Al–Mg–Si–Sn–Sc alloy for essential room-temperature storage after quenching: aging regime design and micromechanisms

Sn microalloying can depress the adverse effect of natural aging after quenching(i.e., room-temperature storage) of Al-Mg-Si alloys. However, the other effect of Sc micro-addition to the Al-Mg-Si-Sn alloys remains elusive. Here, the optimal room-temperature storage time,properties and micromechanisms of Al-0.43 Mg-1.2Si-0.1Sn-0.1Sc(wt%) alloy are investigated by atomic-resolution scanning transmission electron microscopy(STEM),microhardness and corrosion resistance tests. The results show that the peak-aging Al-Mg-Si-Sn-Sc alloy exhibits vastly shortened peak hardening time, increased thermal stability and corrosion resistance compared with its Sc-free counterpart after a long room-temperature storage time of 1 week. Under such a designed double-stage aging regime(1-week room-temperature storage + artificial aging at 180℃), the addition of Sc to Al-Mg-Si-Sn alloy induces a decrease in diameter but an increase in length of peakhardening β″-based precipitates. In addition, a suppressed over-aging phase transition from Sc/Sn-containing β″ to β′ is identified in the Al-Mg-Si-Sn-Sc alloy. The Sn tends to segregate to the Si site in the low-density cylinder of β″ and the central site of sub-B′ in the precipitate can be occupied by Sn/Sc. Further study reveals that Sc and Sn coexist in the precursors of β″. Both reduced width of precipitation free zones and protective corrosion product film easily formed on the material contribute to the improved corrosion resistance of Al-Mg-Si-Sn-Sc alloy.The results provide important insight into the development of high-performance Al alloys.

Microstructures and micromechanical behaviors of high -entropy alloys investigated by synchrotron X-ray and neutron diffraction techniques: A review

High-entropy alloys(HEAs)possess outstanding features such as corrosion resistance,irradiation resistance,and good mechan-ical properties.A few HEAs have found applications in the fields of aerospace and defense.Extensive studies on the deformation mech-anisms of HEAs can guide microstructure control and toughness design,which is vital for understanding and studying state-of-the-art structural materials.Synchrotron X-ray and neutron diffraction are necessary techniques for materials science research,especially for in situ coupling of physical/chemical fields and for resolving macro/microcrystallographic information on materials.Recently,several re-searchers have applied synchrotron X-ray and neutron diffraction methods to study the deformation mechanisms,phase transformations,stress behaviors,and in situ processes of HEAs,such as variable-temperature,high-pressure,and hydrogenation processes.In this review,the principles and development of synchrotron X-ray and neutron diffraction are presented,and their applications in the deformation mechanisms of HEAs are discussed.The factors that influence the deformation mechanisms of HEAs are also outlined.This review fo-cuses on the microstructures and micromechanical behaviors during tension/compression or creep/fatigue deformation and the application of synchrotron X-ray and neutron diffraction methods to the characterization of dislocations,stacking faults,twins,phases,and intergrain/interphase stress changes.Perspectives on future developments of synchrotron X-ray and neutron diffraction and on research directions on the deformation mechanisms of novel metals are discussed.

A macro-mesoscopic constitutive model for porous and cracked rock under true triaxial conditions

The complex mechanical and damage mechanisms of rocks are intricately tied to their diverse mineral compositions and the formation of pores and cracks under external loads.Numerous rock tests reveal a complex interplay between the closure of porous defects and the propagation of induced cracks,presenting challenges in accurately representing their mechanical properties,especially under true triaxial stress conditions.This paper proposes a conceptualization of rock at the mesoscopic level as a two-phase composite,consisting of a bonded medium matrix and frictional medium inclusions.The bonded medium is characterized as a mesoscopic elastic material,encompassing various minerals surrounding porous defects.Its mechanical properties are determined using the mixed multi-inclusion method.Transformation of the bonded medium into the frictional medium occurs through crack extension,with its elastoplastic properties defined by the DruckerePrager yield criterion,accounting for hardening,softening,and extension.MorieTanaka and Eshelby’s equivalent inclusion methods are applied to the bonded and frictional media,respectively.The macroscopic mechanical properties of the rock are derived from these mesoscopic media.Consequently,a True Triaxial Macro-Mesoscopic(TTMM)constitutive model is developed.This model effectively captures the competitive effect and accurately describes the stress-deformation characteristics of granite.Utilizing the TTMM model,the strains resulting from porous defect closure and induced crack extension are differentiated,enabling quantitative determination of the associated damage evolution.

Finite Element Simulations on Failure Behaviors of Granular Materials with Microstructures Using a Micromechanics-Based Cosserat Elastoplastic Model

This paper presents a micromechanics-based Cosserat continuum model for microstructured granular materials.By utilizing this model,the macroscopic constitutive parameters of granular materials with different microstructures are expressed as sums of microstructural information.The microstructures under consideration can be classified into three categories:a medium-dense microstructure,a dense microstructure consisting of one-sized particles,and a dense microstructure consisting of two-sized particles.Subsequently,the Cosserat elastoplastic model,along with its finite element formulation,is derived using the extended Drucker-Prager yield criteria.To investigate failure behaviors,numerical simulations of granular materials with different microstructures are conducted using the ABAQUS User Element(UEL)interface.It demonstrates the capacity of the proposed model to simulate the phenomena of strain-softening and strain localization.The study investigates the influence of microscopic parameters,including contact stiffness parameters and characteristic length,on the failure behaviors of granularmaterials withmicrostructures.Additionally,the study examines themesh independence of the presented model and establishes its relationship with the characteristic length.A comparison is made between finite element simulations and discrete element simulations for a medium-dense microstructure,revealing a good agreement in results during the elastic stage.Somemacroscopic parameters describing plasticity are shown to be partially related to microscopic factors such as confining pressure and size of the representative volume element.

Modeling the Interaction between Vacancies and Grain Boundaries during Ductile Fracture

The experimental results in previous studies have indicated that during the ductile fracture of pure metals,vacancies aggregate and form voids at grain boundaries.However,the physical mechanism underlying this phenomenon remains not fully understood.This study derives the equilibrium distribution of vacancies analytically by following thermodynamics and the micromechanics of crystal defects.This derivation suggests that vacancies cluster in regions under hydrostatic compression to minimize the elastic strain energy.Subsequently,a finite element model is developed for examining more general scenarios of interaction between vacancies and grain boundaries.This model is first verified and validated through comparison with some available analytical solutions,demonstrating consistency between finite element simulation results and analytical solutions within a specified numerical accuracy.A systematic numerical study is then conducted to investigate the mechanism that might govern the micromechanical interaction between grain boundaries and the profuse vacancies typically generated during plastic deformation.The simulation results indicate that the reduction in total elastic strain energy can indeed drive vacancies toward grain boundaries,potentially facilitating void nucleation in ductile fracture.

A micro–macro constitutive model for rock considering breakage effects

The paper proposes a three-scale binary medium-based constitutive model on the basis of the meso structures and micro components to describe the elasto-plastic mechanical behavior of mudstone samples.Based on the breakage mechanism of geomaterials,mudstone samples are considered as two different materials(bonded and frictional elements)at mesoscales.From micro to meso scales,given the similar but different mineralogy composition and porosity of the bonded and frictional elements at microscale,as well as their separate mechanical characteristics,different homogenization methods are adopted to obtain their respective meso mechanical properties.At the mesoscale,in view of the unique meso structures and the continuous material transformation,the extended self-consistent scheme(SCS)is improved to be adaptable to elasto-plastic composites with varying meso components.With the consideration of the evolution form of the breakage ratio under the external loading being given based on the assumed strength distribution of the meso bonded elements,the mechanical relations between meso and macro scales are established.Finally,on the basis of the mean-field method and combined with the critical mechanical connections between different scales,the micro-meso-macro constitutive model for mudstone samples are proposed.The model validation shows that,with a few model parameters,the proposed model can well reflect the stress and deformation features of mudstone samples with complex micro-components.

Enhancing the elastoplastic damage constitutive model for clayey rocks: Incorporating anisotropy, saturation, time-dependent, and debonding effects

This paper introduced a novel microstructure-based constitutive model designed to comprehensively characterize the intricate mechanical behavior of anisotropic clay rocks under the influence of water saturation.The proposed model encompasses elastoplastic deformation,time-dependent behavior,and induced damage.A two-step homogenization process incorporates mineral compositions and porosity to determine the macroscopic elastic tensor and plastic yield criterion.The model also considers interfacial debonding between the matrix and inclusions to capture rock damage.The application of the proposed model is demonstrated through an analysis of Callovo-Oxfordian clayey rocks,specifically in the context of radioactive waste disposal in France.Model parameters are determined,followed by numerical simulations of various laboratory tests including lateral decompression tests with constant mean stress,triaxial compression tests under different water saturation conditions,and creep tests.The numerical results are compared with corresponding experimental data to assess the efficacy of the proposed model.

Three-dimensional computational characterization of grain size and texture effects in magnesium alloys

This work systematically investigates the microstructure-property relationship in Mg alloys. Emphasis is placed on understanding, through high resolution crystal plasticity modeling, how grain size and texture collectively impact material strengthening and hardening, net plastic anisotropy, and tension-compression asymmetry. To achieve this, 528 fully three-dimensional finite element calculations are performed, which comprise eleven textures, four grain sizes, six loading orientations, and two uniaxial loading states(tension and compression). The grain size effect follows Hall-Petch relation that depends on both, loading orientation and initial texture. The reduction in extension twinning with grain size refinement is influenced by texture as well. Below a threshold textural strength, grain size refinement leads to an appreciable reduction in the net plastic anisotropy at yield, quantified using Hill anisotropy, and reduced tension-compression asymmetry. Using a micromechanical basis, the effect of grain size and texture on material ductility is predicted to be non-monotonic. The computational predictions serve as synthetic data sets for experimental validation and reduced-order modeling.

Microstructural image based convolutional neural networks for efficient prediction of full-field stress maps in short fiber polymer composites

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.

Simulation Study of CMUT for Pressure Sensing Applications

Capacitive micromechanical ultrasonic transducers(CMUTs)have been widely studied because they can be used as substitutes for piezoelectric ultrasonic transducers in imaging applications.However,it is unclear whether and how CMUTs can be developed for sensors incorporating other functions.For instance,researchers have proposed the use of CMUTs for pressure sensing,but fundamental and practical application issues remain unsolved.This study explored ways in which a pressure sensor can be properly developed based on a CMUT prototype using a simulation approach.A three-dimensional finite element model of CMUTs was designed using the COMSOL Multiphysics software by combining the working principle of CMUTs with pressure sensing characteristics in which the resonance frequency of the CMUT cell shifts accordingly when it is subjected to an external pressure.Simultaneously,when subjected to pressure,the CMUT membrane deforms,thus the pressure can be reflected by the change in the capacitance.

Constitutive model for concrete subjected to impact loading

To better design and analyze concrete structures, the mechanical properties of concrete subjected to impact loadings are investigated. Concrete is considered to be a two-phase composite made up of micro-cracks and solid parts which consist of coarse aggregate particles and a cement mortar matrix. The cement mortar matrix is assumed to be elastic, homogeneous and isotropic. Based on the Moil-Tanaka concept of average stress and the Eshelby equivalent inclusion theory, a dynamic constitutive model is developed to simulate the impact responses of concrete. The impact compression experiments of concrete and cement mortar are also carried out. Experimental results show that concrete and cement mortar are rate-dependent. Under the same impact velocity, the load-carrying capacity of concrete is higher than that of cement mortar. Whereas, the maximum strain of concrete is lower than that of cement mortar. Regardless of whether it is concrete or cement mortar, with the increase in the impact velocity, the fragment size of specimens after experiment decreases.

Calculation of watershed flow concentration based on the grid drop concept

The grid drop concept is introduced and used to develop a micromechanism-based methodology for calculating watershed flow concentration. The flow path and distance traveled by a grid drop to the outlet of the watershed are obtained using a digital elevation model （DEM）. Regarding the slope as an uneven carpet through which the grid drop passes, a formula for overland flow velocity differing from Manning＇s formula for stream flow as welt as Darcy＇s formula for pore flow is proposed. Compared with the commonly used unit hydrograph and isochronal methods, this new methodology has outstanding advantages in that it considers the influences of the slope velocity field and the heterogeneity of spatial distribution of rainfall on the flow concentration process, and includes only one parameter that needs to be calibrated. This method can also be effectively applied to the prediction of hydrologic processes in un-gauged basins.

Effective Moduli of Two-Layered Spherical Inclusions Reinforced Composites

A model is proposed to evaluate the,effective modufi of a composite reinforced by two-layered spherical inclusions.This model is based on the localisation problem of a two- layered spherical inclusion embedded in an infinite matrix.The interations of the reinforced phases are taken into account by using the average matrix stress concept.When the external layer vanishes,the proposed model reduces to the classical Mori-Tanaka's model for spherical inclusions.Theoretical results for the composite of polyester matrix filled by hollow glass spheres and voids show excellent agreement with experimental results.

Nonequilibrium Statistical Theory of Fracture

Nonequilibrium statistical theory of fracture is a theory of fracture that macromechanical quantities can be derived from the microscopic atomic mechanism of microcrack(or microvoid)evolution kinetcs by means of nonequilibrium statistical physical concepts and methods. The microcrack evolution equation is the central equation in the theory.The coefficents of the equation, the microcrack growth rate and the microcrack nucleation rate,come from microscopic atomic mechanism.The solution of the equation connects with macromechanical quantities by the model of the weakest chain. All the other formulas and quantities, for instance, distribution function,fracture probability, reliability, failure rate and macromechanical quantities such as strength, toughness, life etc. and their statistical distribution function and statistical fluctuation are derived in a unified fashion and expressed by a few physical parameters. This theory can be widely applied to various kinds of fracture, such as the brittle, fatigue, delayed and environmental fracture of metals and structural ceramics. The theoretical framework of this theory is given in this paper.

Thermo-mechanical coupled particle model for rock

A thermo-mechanical coupled particle model for simulation of thermally-induced rock damage based on the particle simulation method was proposed.The simulation results of three verification examples,for which the analytical solutions are available,demonstrate the correctness and usefulness of the thermo-mechanical coupled particle model.This model is applied to simulating an application example with two cases：one is temperature-independent elastic modulus and strength,while the other is temperature-dependent elastic modulus and strength.The related simulation results demonstrate that microscopic crack initiation and propagation process with consideration of temperature-independent and temperature-dependent elastic modulus and strength are different and therefore,the corresponding macroscopic failure patterns of rock are also different.On the contrary,considering the temperature-dependent elastic modulus and strength has no or little effect on the heating conduction behavior.Numerical results,which are obtained by using the proposed model with temperature-dependent elastic modulus and strength,agree well with the experimental results.This also reveals that the rock subjected to heating experiences much more cracking than the rock subjected to cooling.

EFFECT OF TRIAXIAL STRESS CONSTRAINT ON THE DEFORMATION AND FRACTURE OF POLYMERS

One purpose of this paper is to give a brief overview on the research status of deformation,fracture and toughening mechanisms of polymers,including experimental,theoretical and numerical studies.Emphasis is on the more recent progresses of micromechanics of rubber particle cavitation and crazing,and the de- velopment of fracture criteria for ductile polymers. The other purpose is to study the effect of triaxial stress constraint on the deforma- tion and fracture behavior of polymers.Polycarbonate(PC),acrylonitrile-butadiene- styrene(ABS)and PC/ABS alloy are considered in this investigation.A series of circumferentially blunt-notched bars are used to experimentally generate different tri- axial stress fields.The fracture surfaces of specimens with different notch radius are examined by scanning electron microscope(SEM)to study the fracture and tough- ening mechanisms of polymer alloy.It is shown that the triaxial stress constraint has a significant effect on the deformation,fracture and toughening of PC,ABS and PC/ABS alloy.We will also discuss the extent to which a micromechanies criterion proposed by the first author can serve as a fracture criterion for ductile polymers. A new ductile fracture parameter is emphasized,which can be employed to evaluate the fracture ductility of polymers.Stress state independence of the parameter for the PC,ABS and PC/ABS alloy has been experimentally verified.

A UNIFIED ENERGY APPROACH TO A CLASS OF MICROMECHANICS MODELS FOR COMPOSITE MATERIALS

Several micromechanics models for the determination of composite moduli are investigated in this paper,including the dilute solution,self-consistent method,generalized self-consistent method,and Mori-Tanaka's method.These mi- cromechanical models have been developed by following quite different approaches and physical interpretations.It is shown that all the micromechanics models share a common ground,the generalized Budiansky's energy-equivalence framework.The dif- ference among the various models is shown to be the way in which the average strain of the inclusion phase is evaluated.As a bonus of this theoretical development,the asymmetry suffered in Mori-Tanaka's method can be circumvented and the applica- bility of the generalized self-consistent method can be extended to materials contain- ing microcracks,multiphase inclusions,non-spherical inclusions,or non-cylindrical inclusions.The relevance to the differential method,double-inclusion model,and Hashin-Shtrikman bounds is also discussed.The application of these micromechanics models to particulate-reinforced composites and microcracked solids is reviewed and some new results are presented.

Discrete Element Modeling of Asphalt Concrete Cracking Using a User-def ined Three-dimensional Micromechanical Approach

We established a user-defined micromechanical model using discrete element method （DEM） to investigate the cracking behavior of asphalt concrete （AC）. Using the ＂Fish＂ language provided in the particle flow code in 3-Demensions （PFC3D）, the air voids and mastics in asphalt concrete were realistically built as two distinct phases. With the irregular shape of individual aggregate particles modeled using a clump of spheres of different sizes, the three-dimensional （3D） discrete element model was able to account for aggregate gradation and fraction. Laboratory uniaxial complex modulus test and indirect tensile strength test were performed to obtain input material parameters for the numerical simulation. A set of the indirect tensile test were simulated to study the cracking behavior of AC at two levels of temperature, i e, -10 ℃ and 15 ℃. The predicted results of the numerical simulation were compared with laboratory experimental measurements. Results show that the 3D DEM model is able to predict accurately the fracture pattern of different asphalt mixtures. Based on the DEM model, the effects of air void content and aggregate volumetric fraction on the cracking behavior of asphalt concrete were evaluated.

Effects of Aggregate Size and Specimen Scale on Asphalt Mixture Cracking Using a Micromechanical Simulation Approach

A micromechanical model based on discrete element method（DEM） was employed to investigate the effects of aggregate size and specimen scale on the cracking behavior of asphalt mixture. An algorithm for generating three-dimensional aggregates that can reflect the realistic geometry such as shape, size and fracture surface of aggregate particles was developed using a user-defined procedure coded with FISH language in particle flow code in three-dimensions（PFC3 D）. The parallel-bond model（PBM）, linear contact model（LCM）, and slip model（SM）, whose sets of micro parameters were obtained by comparing experimental tests with numerical simulation results, were used to characterize the internal contact behavior of asphalt mixture. Digital asphalt mixture specimens were used to simulate the effects of aggregate size and specimen scale on the cracking behavior by the indirect tensile（IDT） test. Some conclusions can be drawn as follows： Both cracks and IDT strength decrease with increasing aggregate size. However, the heterogeneity of contact-force distribution augments with increasing aggregate size, especially with 13.2-16 mm aggregate. The aggregate size of 4.75-9.5 mm dominates in forming skeleton structure for asphalt mixture. The IDT strength decreases and cracks augment with increasing sample scale. The crack growth can be well interpreted from the perspective of energy analysis. The conclusions show that the proposed micromechanical model is suitable for the simulation of crack propagation. This study provides an assistant tool to further study the cracking behavior of particle-reinforced composites material such as asphalt mixture and Portland cement concrete.

Micromechanical analysis of the behavior of stiffclay

Cementations formed in geological timescale are observed in various stiff clays.A micromechanical stress strain model is developed for modeling the effect of cementation on the deformation behavior of stiff clay.The proposed approach considers explicitly cementations at intercluster contacts,which is different from conventional model.The concept of inter-cluster bonding is introduced to account for an additional cohesion in shear sliding and a higher yield stress in normal compression.A damage law for inter-cluster bonding is proposed at cluster contacts for the debonding process during mechanical loading.The model is used to simulate numerous stress-path tests on Vallericca stiff clay.The applicability of the present model is evaluated through comparisons between the predicted and the measured results.In order to explain the stress-induced anisotropy arising from externally applied load,the evolution of local stresses and local strains at inter-cluster planes are discussed.