The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
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.
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.
Yubo HuangNing XuHuaile LuYang RenShilei LiYandong Wang
Strain localization processes in the continental crust generate faults and ductile shear zones over a broad range of scales affecting the long-term lithosphere deformation and the mechanical response of faults during the seismic cycle.Seismic anisotropy originated within the continental crust can be applied to deduce the kinematics and structures within orogens and is widely attributed to regionally aligned minerals,e.g.,hornblende.However,naturally deformed rocks commonly show various structural layers(e.g.,strain localization layers).It is necessary to reveal how both varying amphibole contents and fabrics in the structural layers of strain localization impact seismic property and its interpretations in terms of deformation.We present microstructures,petrofabrics,and calculate seismic properties of deformed amphibolite with the microstructures ranging from mylonite to ultramylonite.The transition from mylonite to ultramylonite is accompanied by a slight decrease of amphibole grain size,a disintegration of amphibole and plagioclase aggregates,and amphibole aspect ratio increase(from 1.68 to 2.23),concomitant with the precipitation of feldspar and/or quartz between amphibole grains.The intensities of amphibole crystallographic preferred orientations(CPOs)show a progressively increasing trend from mylonitic layers to homogeneous ultramylonitic layers,as indicated by the JAm index increasing from 1.9–4.0 for the mylonitic layers and 4.0–4.8 for the transition layer,to 5.1–6.9 for the ultramylonitic layers.The CPO patterns are nearly random for plagioclase and quartz.Polycrystalline amphibole aggregates in the amphibolitic mylonite deform by diffusion,mechanical rotation,and weak dislocation creep,and develop CPOs collectively.The polymineralic matrix(such as quartz and plagioclase)of the mylonite and the ultramylonite deform dominantly by dissolution-precipitation,combined with weak dislocation creep.The mean P and S wave velocities are estimated to be 6.3 and 3.5 km/s,respectively,for three layers of the myl
Siqi LiuBo ZhangJinjiang ZhangJian ZhangLei GuoTao WangBaoyou HangXiaorong Li
In recent years,the exploration of seabed has been intensified,but the submarine soils of silt and sand in the Yellow Sea area have not been well investigated so far.In this study,the physical and mechanical properties of silt and sand from the Yellow Sea were measured using a direct shear apparatus and their microstructures were observed using a scanning electron microscope.The test results suggest that the shear strength of silt and sand increases linearly with the increase of normal stress.Based on the direct shear test,the scanning electron microscope was used to observe the section surface of sand.It is observed that the section surface becomes rough,with many“V”‐shaped cracks.Many particles appear on the surface of the silt structure and tend to be disintegrated.The X‐ray diffraction experiment reveals that the sand and silt have different compositions.The shear strength of sand is slightly greater than that of silt under high stress,which is related to the shape of soil particles and the mineral composition.These results can be a reference for further study of other soils in the Yellow Sea;meanwhile,they can serve as soil parameters for the stability and durability analyses of offshore infrastructure construction.
High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness.By contrast,elemental composi-tions within alloy systems occupy specific structural sites in space,a concept referred to as structure.In accordance with Shannon entropy,structure is analogous to information.Generally,the arrangement of atoms within a material,termed its structure,plays a pivotal role in dictating its properties.In addition to expanding the array of options for alloy composites,HEAs afford ample opportunities for diverse structural designs.The profound influence of distinct structural features on the exceptional behaviors of alloys is underscored by numer-ous examples.These features include remarkably high fracture strength with excellent ductility,antiballistic capability,exceptional radi-ation resistance,and corrosion resistance.In this paper,we delve into various unique material structures and properties while elucidating the intricate relationship between structure and performance.
A reasonable heat treatment process for TC4 ELI titanium alloy is crucial to tune microstructures to improve its explosion resistance.However,there is limited investigation on tuning microstructures of TC4 ELI to improve explosion resistance.Moreover,the current challenge is quantifying microstructural changes'effects on explosion resistance and incorporating microstructural changes into finite element models.This work aims to tune microstructures to improve explosion resistance and elucidate their anti-explosion mechanism,and find a suitable method to incorporate microstructural changes into finite element models.In this work,we systematically study the deformation and failure characteristics of TC4 ELI plates with varying microstructures using an air explosion test and LS-DYNA finite element modeling.The Johnson-Cook(JC)constitutive parameters are used to quantify the effects of microstructural changes on explosion resistance and incorporate microstructural changes into finite element models.Because of the heat treatment,one plate has equiaxed microstructure and the other has bimodal microstructure.The convex of the plate after the explosion has a quadratic relationship with the charge mass,and the simulation results demonstrate high reliability,with the error less than 17.5%.Therefore,it is feasible to obtain corresponding JC constitutive parameters based on the differences in microstructures and mechanical properties and characterize the effects of microstructural changes on explosion resistance.The bimodal target exhibits excellent deformation resistance.The response of bimodal microstructure to the shock wave may be more intense under explosive loading.The well-coordinated structure of the bimodal target enhances its resistance to deformation.
Changle ZhangYangwei WangLin WangZixuan NingGuoju LiDongping ChenZhi-Wei YanYuchen SongXucai Wang
