Micromechanism of Crystallization in Multicomponent Metallic Glass

A micromechanism in an atomic level of crystallization of transition metal-metalloid TM(80)M(20) metallic glass is thermodynamically proposed by taking Bernal polyhedra as the starting structure of metallic glass. It is composed of two competitively processes: (i) densification process of atom cluster leads to the formation of the precursor in amorphous matrix; (ii) the growth of atom cluster leads to the decreasing packing density. The preferential precipitation sequence of metastable phase is bcc, bet, cpc (close-packed crystal, hcp or fee structure). A metastable phase decomposition (Fe,Mo)(23)B-6 (fcc)-Fe2B highly strained bet phase was observed during crystallization of (Fe(0.99)M(0.01))(78)Si9B13 metallic glass, which is related to the occurrence of nanocrystalline.

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.

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.

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.

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.

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.

CALCULATION OF THE DAMPING OF THE Zn-27Al ALLOY BASED ON THE MICRO INTERFACE SLIDING MODEL

The microstructures of the Zn-27Al alloy after modification, solid-solution treatment, and natural aging were studied. It was clarified why the damping properties of Zn-27Al alloys, after treatment, had advanced most on the basis of analyzing the microstructures. Approximate expressions have been educed, which can be used to quantificationally work out the damping of the Zn-27Al alloy on the basis of the micro interface sliding model. By comparing the testing damping properties of the foundry Zn-27Al alloys and the Zn-27Al alloys after modification, solid solution, and natural aging, it was shown that the expressions were rational.

Research on the diffusion bonding of superplastic magnesium alloy

The elevated temperature tensile experiments have been carried out on the magnesium alloy and results indicate that the magnesium alloy has excellent superplastic property. Gleebe 1500 testing machine was used in the diffusion bonding experiment on the superplastic magnesium alloy. Then, the shear strength of the joints under different conditions is obtained through shear testing and the optimum processing parameters for the diffusion bonding are achieved. By metallurgical microscope and scanning electron microscope (SEM), it is revealed that the micromechanism of diffusion bonding is the slide of grain boundaries caused by the growth of grains and atom diffusion of the superplastic magnesium alloy.

Micro-scale Realization of Compliant Mechanisms:Manufacturing Processes and Constituent Materials-A Review

Compliant micromechanisms(CMMs)acquire mobility from the deflection of elastic members and have been proven to be robust by millions of silicon MEMS devices.However,the limited deflection of silicon impedes the realization of more sophisticated CMMs,which often require larger deflections.Recently,some novel manufacturing processes have emerged but are not well known by the community.In this paper,the realization of CMMs is reviewed,aiming to provide help to mechanical designers to quickly find the proper realization method for their CMM designs.To this end,the literature surveyed was classified and statistically analyzed,and representative processes were summarized individually to reflect the state of the art of CMM manufacturing.Furthermore,the features of each process were collected into tables to facilitate the reference of readers,and the guidelines for process selection were discussed.The review results indicate that,even though the silicon process remains dominant,great progress has been made in the development of polymer-related and composite-related processes,such as micromolding,SU-8 process,laser ablation,3D printing,and the CNT frameworking.These processes result in constituent materials with a lower Young’s modulus and larger maximum allowable strain than silicon,and therefore allow larger deflection.The geometrical capabilities(e.g.,aspect ratio)of the realization methods should also be considered,because different types of CMMs have different requirements.We conclude that the SU-8 process,3D printing,and carbon nanotube frameworking will play more important roles in the future owing to their excellent comprehensive capabilities.

Nonproportional Low Cycle Fatigue for 316L Stainless Steel

A series of tests are performed for 316L stainless steel under multiaxial nonproportional low cycle fatigue(LCF). The microstructures of the steel in the process of nonproportional LCF are observed with transmission electron microscopy (TEM). Based on macroscopic and microscopic experiments, the micromechanism of additional hardening and the decrease in LCF life under nonproportional cyclic loading are studied. The results of the tests indicate that 316L stainless steel obviously exhibits nonproportional cyclic additional hardening, which is mainly due to rotation of maximum shear stress plane during the LCF under nonproportional cyclic loading.

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.

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.