Molecular dynamics simulation on plasticity deformation mechanism and failure near void for magnesium alloy

The plastic deformation processes of magnesium alloys near a void at atomic scale level were examined through molecular dynamics(MD)simulation.The modified embedded atom method(MEAM)potentials were employed to characterize the interaction between atoms of the magnesium alloy specimen with only a void.The void growth and crystal failure processes for hexagonal close-packed(hcp)structure were observed.The calculating results reveal that the deformation mechanism near a void in magnesium alloy is a complex process.The passivation around the void,dislocation emission,and coalescence of the void and micro-cavities lead to rapid void growth.

A Model of Dynamic Recrystallization in Alloys during High Strain Plastic Deformation

Recrystallized grains, less than 200 nm in diameter were observed in heavily shear zones of a high strength low alloy steel and a Ni-based alloy, and Also grain refinement, less than 3 μm in diameter was made in high purity aluminum by ECAE at ambient temperature. The experimental results showed that high strain rate and large deformation could induce dynamic recrystallization.Based on dislocation dynamics and grain orientation change enhanced by plastic deformation,a model for the recrystallization process is developed. The model is used to explain the ultra fine grains which are formed at a temperature still much lower than that for the conventional recrystallization

Plastic deformation mechanism transition of Ti/Ni nanolaminate with pre-existing crack:Molecular dynamics study

Tensile behaviors of Ti/Ni nanolaminate with model-I crack are investigated by molecular dynamics simulations.The Ti/Ni nanolaminates with center crack either in Ti layer or in Ni layer under different loading directions are utilized to systematically study the mechanical performance of the cracked material.The results indicate that pre-existing crack dramatically changes the plastic deformation mechanism of the Ti/Ni nanolaminate.Unlike the initial plastic deformation originating from the interface or weak Ti layer of the crack-free samples,the plastic behavior of cracked Ti/Ni nanolaminate first occurs at the crack tip due to the local stress concentration.Subsequent plastic deformation is dominated by the interaction between the crack and interface.The Ti/Ni interface not only impedes the movement of the initial plastic deformation carriers(dislocation,slip band,and deformation twinning)from the crack tip,but also promotes the movement of interfacial dislocations in the tension process.Microstructure evolution analysis further confirms that the plastic deformation mechanism transition is ascribed to the orientation-dependent tensile behavior at the crack tip,which is intrinsically attributed to the anisotropy of the certain crystal structure and loading direction of the cracked Ti/Ni nanolaminate.In addition,by analyzing the effects of different plastic deformation carriers on crack propagation in specific crystal,it can be discovered that the interfacial dislocations moving towards the crack tip can further promote the crack growth.

Dynamic Plastic Response of Circular Plates Resting on Fluid with Finite Deformation

This paper concerns the dynamic plastic response of a circular plate resting on fluid subjected to a uniformly distributed rectangular load pulse with finite deformation. It is assumed that the fluid is incompressible and inviscous, and the plate is made of rigid-plastic material and simply supported along its edge. By using the method of the Hankel integral transformation, the nonuniform fluid resistance is derived as the plate and the fluid is coupled. Finally, an analytic solution for a circular plate under a medium load is obtained according to the equations of motion of the plate with finite deformation.

Effect of void size and Mg contents on plastic deformation behaviors of Al-Mg alloy with pre-existing void:Molecular dynamics study

The plastic deformation properties of cylindrical pre-void aluminum-magnesium(Al-Mg)alloy under uniaxial tension are explored using molecular dynamics simulations with embedded atom method(EAM)potential.The factors of Mg content,void size,and temperature are considered.The results show that the void fraction decreases with increasing Mg in the plastic deformation,and it is almost independent of Mg content when Mg is beyond 5%.Both Mg contents and stacking faults around the void affect the void growth.These phenomena are explained by the dislocation density of the sample and stacking faults distribution around the void.The variation trends of yield stress caused by void size are in good agreement with the Lubarda model.Moreover,temperature effects are explored,the yield stress and Young’s modulus obviously decrease with temperature.Our results may enrich and facilitate the understanding of the plastic mechanism of Al-Mg with defects or other alloys.

Structure, Plastic Deformation of Polyethylene: A Molecular Dynamics Method

This paper studies the influence factors of atoms number (N) at temperature (T) and after annealing time (t) on the structure shape and the plastic deformation of Polyethylene C2H4 (PE) by the Molecular Dynamics (MD) method with Dreading pair interaction, cyclic boundary conditions and plastic deformation of Polyethylene (PE) be done by stretching method according to the z-axis. The results of structure, plastic deformation of PE are analyzed through size (l), the total energy of the system (Etot), shape and associated energy (Ebond), angular binding energy (Eangle), energy Edihedral, interactive energy Vander Walls (Enon-bonding). When increasing N, t leads to the number of structural units of Face-Centred Cubic (FCC), Body-Centered Cubic (BCC) and Hexagonal Close-Packed (HCP) increasing, but Amorphous (Amor) decreases while the angle between the atoms is a constant corresponding to 109.5°. Besides, the length of the link (r) increases from r = 1.529 Å to r = 1.558 Å while the plastic deformation energy of PE gets an enormous change and the bonding angle at 109.27°. The length of the link r = 1.529 Å and the size (l) of the PE material increase from l = 3.73 nm to l = 6.63 nm while the total energy of system (Etotal) decreases from Etotal = −1586 eV to Etotal = −7891 eV with the transition temperature is T = 103 K. Increasing the number of atoms leads to increasing the length of the link. The total energy Etotal of the system decreases, but the number of structural units in FCC, HCP, BCC and Amor increase, which leads to the length of the link increases, the Etotal decreases, and there is a change in the plastic deformation characteristics of PE. In contrast, increasing T leads to the plastic deformation increases, and PE moves from the amorphous state to the liquid state. The obtained results are very significant for future experimental research.

Temperature effect on nanotwinned Ni under nanoindentation using molecular dynamic simulation

Temperature effect on atomic deformation of nanotwinned Ni (nt-Ni) under localized nanoindentation is investigated in comparison with nanocrystalline Ni (nc-Ni) through molecular simulation.The nt-Ni exhibits enhanced critical load and hardness compared to nc-Ni,where perfect,stair-rod and Shockley dislocations are activated at (111),(111) and (111) slip planes in nt-Ni compared to only SSockley dislocation nucleation at (111) and (111) slip planes of nc-Ni.The nt-Ni exhibits a less significant indentation size effect in comparison with nc-Ni due to the dislocation slips hindrance of the twin boundary.The atomic deformation associated with the indentation size effect is investigated during dislocation transmission.Different from the decreasing partial slips parallel to the indenter surface in nc-Ni with increasing temperature,the temperaturedependent atomic deformation of nt-Ni is closely related to the twin boundary:from the partial slips parallel to the twin boundary (~10 K),to increased confined layer slips and decreased twin migration(300 K–600 K),to decreased confined layer slips and increased dislocation interaction of dislocation pinning and dissociation (900 K–1200 K).Dislocation density and atomic structure types through quantitative analysis are implemented to further reveal the above-mentioned dislocation motion and atomic structure alteration.Our study is helpful for understanding the temperature-dependent plasticity of twin boundary in nanotwinned materials.

Deformation coordination analysis of CC-RCC combined dam structures under dynamic loads

A combined dam structure using different concrete materials offers many practical benefits.There are several real-world cases where largevolume heterogeneous concrete materials have been used together.From the engineering design standpoint,it is crucial to understand the deformation coordination characteristics and mechanical properties of large-volume heterogeneous concrete,which affect dam safety and stability.In this study,a large dam facility was selected for a case study,and various design schemes of the combined dam structure were developed by changing the configurations of material zoning and material types for a given dam shape.Elastoplastic analysis of the damfoundation-reservoir system for six schemes was carried out under dynamic conditions,in which the concrete damaged plasticity(CDP)model,the Lagrangian finite element formulation,and a surface-to-surface contact model were utilized.To evaluate the mechanical properties of zoning interfaces and coordination characteristics,the vertical distribution of the first principal stress at the longitudinal joint was used as the critical index of deformation coordination control,and the overall deformation and damage characteristics of the dam were also investigated.Through a comparative study of the design schemes,an optimal scheme of the combined dam structure was identified:large-volume roller-compacted concrete(RCC)is recommended for the dam body upstream of the longitudinal joint,and high-volume fly ash conventional concrete(CC)for the dam body downstream of the longitudinal joint.This study provides engineers with a reference basis for combined dam structure design.

Molecular Dynamics Simulation of Grain Refinement in a Polycrystalline Material under Severe Compressive Deformation

Grain refinement in a polycrystalline material resulting from severe compressive deformation was simulated using molecular dynamics. A simplified model with four square grains surrounded by periodic boundaries was prepared, and compressive deformation was imposed by shortening the length in the y direction. The model first deformed elastically, and the compressive stress increased monotonically. Inelastic deformation was then initiated, and the stress decreased drastically. At that moment, dislocation or slip was initiated at the grain boundaries or triple junction and then spread within the grains. New grain boundaries were then generated in some of the grains, and sub-grains appeared. Finally, a microstructure with refined grains was obtained. This process was simulated using two types of grain arrangements and three different combinations of crystal orientations. Grain refinement generally proceeded in a similar fashion in each scenario, whereas the detailed inelastic deformation and grain refinement behavior depended on the initial microstructure.

Anelasticity to plasticity transition in a model two-dimensional amorphous solid

Anelasticity, as an intrinsic property of amorphous solids, plays a significant role in understanding their relaxation and deformation mechanism. However, due to the lack of long-range order in amorphous solids, the structural origin of anelasticity and its distinction from plasticity remain elusive. In this work, using frozen matrix method, we study the transition from anelasticity to plasticity in a two-dimensional model glass. Three distinct mechanical behaviors, namely,elasticity, anelasticity, and plasticity, are identified with control parameters in the amorphous solid. Through the study of finite size effects on these mechanical behaviors, it is revealed that anelasticity can be distinguished from plasticity.Anelasticity serves as an intrinsic bridge connecting the elasticity and plasticity of amorphous solids. Additionally, it is observed that anelastic events are localized, while plastic events are subextensive. The transition from anelasticity to plasticity is found to resemble the entanglement of long-range interactions between element excitations. This study sheds light on the fundamental nature of anelasticity as a key property of element excitations in amorphous solids.

THE DYNAMIC PLASTIC BEHAVIOR OF A SIMPLY SUPPORTED CIRCULAR PLATE IN A DAMPING MEDIUM WITH FINITE-DEFLECTIONS

A theoretical analysis is presented for the dynamic plastic behavior of a simply supported rigid, perfectly plastic circular plate in damping medium with finite-deflections subjected to a rectangular pressure pulse. Analytical solutions of every moving stage under both medium and high loads are developed.

LARGE DEFLECTION DYNAMIC PLASTIC RESPONSE OF CLAMPED SQUARE PLATES WITH STIEEENERS

The large deflection dynamic plastic response of fully clamped square plates with stiffeners under blast load is analyzed in detail in this paper. Various relevant motion patterns and criterions are presented. The formulas of maximum permanent deformation of the plates with stiffeners are derived. The results of calculation are compared with those of experiment in [3], with good agreement shown in most cases.

Contact dynamics of elasto-plastic thin beams simulated via absolute nodal coordinate formulation

Under the frame of multibody dynamics, the contact dynamics of elasto-plastic spatial thin beams is numerically studied by using the spatial thin beam elements of absolute nodal coordinate formulation（ANCF）. The internal force of the elasto-plastic spatial thin beam element is derived under the assumption that the plastic strain of the beam element depends only on its longitudinal deformation.A new body-fixed local coordinate system is introduced into the spatial thin beam element of ANCF for efficient contact detection in the contact dynamics simulation. The linear isotropic hardening constitutive law is used to describe the elasto-plastic deformation of beam material, and the classical return mapping algorithm is adopted to evaluate the plastic strains. A multi-zone contact approach of thin beams previously proposed by the authors is also introduced to detect the multiple contact zones of beams accurately, and the penalty method is used to compute the normal contact force of thin beams in contact. Four numerical examples are given to demonstrate the applicability and effectiveness of the proposed elasto-plastic spatial thin beam element of ANCF for flexible multibody system dynamics.

Anisotropic plasticity of nanocrystalline Ti:A molecular dynamics simulation

Using molecular dynamics simulations,the plastic deformation behavior of nanocrytalline Ti has been investigated under tension and compression normal to the{0001},{1010},and{1210}planes.The results indicate that the plastic deformation strongly depends on crystal orientation and loading directions.Under tension normal to basal plane,the deformation mechanism is mainly the grain reorientation and the subsequent deformation twinning.Under compression,the transformation of hexagonal-close packed(HCP)-Ti to face-centered cubic(FCC)-Ti dominates the deformation.When loading is normal to the prismatic planes(both{1010}and{1210}),the deformation mechanism is primarily the phase transformation among HCP,body-centered cubic(BCC),and FCC structures,regardless of loading mode.The orientation relations(OR)of{0001}HCP||{111}FCC and<1210>HCP||<110>FCC,and{1010}HCP||{110}FCC and<0001>HCP||<010>FCC between the HCP and FCC phases have been observed in the present work.For the transformation of HCP→BCC→HCP,the OR is{0001}α1||{110}β||{1010}α2(HCP phase before the critical strain is defined as α1-Ti,BCC phase is defined as β-Ti,and the HCP phase after the critical strain is defined as α2-Ti).Energy evolution during the various loading processes further shows the plastic anisotropy of nanocrystalline Ti is determined by the stacking order of the atoms.The results in the present work will promote the in-depth study of the plastic deformation mechanism of HCP materials.

Plastic deformation behavior of ZK60 magnesium alloy with addition of neodymium

The hot deformation simulation of a ZK60 magnesiuln alloy at different temperatures from 373 to 673 K and different strain rates of 0.1, 0.01 and 0.002 s^-1 was studied by using the Gleebe-1500 simulator. The plastic deformation behavior was measured and the deformation activation energy was calculated. The microstructures of ZK60 magnesium alloy with an addition of neodymium during the deformation process were observed by using Polyvar-MET optical microscope and Tecnai G^2 20 TEM. The results show that the working hardening, the dynamic recovery and the dynamic recrystallization occur during the plastic deformation process at different temperatures and strain rates. The dynamic recrystallization starts when the temperature is over 473 K and the DRX grain size after hot deformation is only 5-10 μm. So the refined grains improve both the tensile strength and the elongation of alloys at room temperature. Neodymium is added into the alloy and a precipitate phase Mg12Nd that impedes the movement of dislocations is formed, which benefits to increasing mechanical properties of ZK60 magnesium alloy.

ANOMALOUS BEHAVIOR REVISITED:DYNAMIC RESPONSE OF ELASTIC-PLASTIC STRUCTURES

Based on the minimum principle of acceleration in the elastic-plastic continua under finite def ormation, the dynamic response of an elastic-perfectly plastic pin-ended beam subjected to rectangular impulse loading is studied with the help of a numerical approach. The calculated results once again show the anomalous behavior of the beam during its response process, which was previously found in [1]. By carefully analyzing the instantaneous distribution of the bending moment, the membrane force, the curvature and displacement during the response process, it is concluded that the interactive effect between the geometry and materials nonlinearities of the structure is the key reason for leading to the anomalous behavior. This will be helpful for clarifying some misunderstandings in explaining the problem before.

Microstructural evolution of zirconium alloy under dynamic compression at strain rate of 1000s^(-1)

Microstructural evolution of the zirconium alloy deformed at a strain rate of about 1000 s-1 was investigated. Four different strain levels of the zirconium alloy subjected to dynamic compression were designed by several-times impacting at almost the same strain rate. The results show that abundant low angle boundaries at different strain levels were observed in the deformed microstructures, and the quantity and density of low angle boundary increase dramatically with the strain increasing. Besides low angle boundaries and high angle boundaries observed in grain boundary maps, the twin boundaries including the tensile twins {10 2}, {11 1} and compressive twins {11 2} were distinguished at different strain levels, and most twin boundaries were indexed as {10 2} twins. With the stain increasing, the twin boundary density in the deformed microstructures increases indistinctively. Based on the characterization of the deformed microstructures at the different strain levels, the deformation and evolution processes of the zirconium alloy subjected to dynamic loading were proposed. Microhardness measurements show that the microhardness in the impacted specimens increases gradually with the strain increasing, which should be associated with the strain hardening caused by the tangled dislocation.

The hot compressive deformation behavior of cast Mg-Gd-Y-Zn-Zr alloys with and without LPSO phase in their initial microstructures

Samples of Mg-8.2Gd-3.8Y-1.1Zn-0.4Zr alloy with and without an intragranular lamellae-shaped long period stacking ordered(LPSO)phase were prepared through heat treatment and a series of hot compression tests on these materials were conducted to examine and evaluate the influence of LPSO on the hot compressive deformation behavior and deformation mechanisms at a given alloy composition.The values of activation energy for plastic flow(Qc)of the solution treated(without LPSO phase)and annealed alloys(with intragranular LPSO phase)were larger than that for pure Mg,indicating that the presence of a high amount of rare earth(RE)elements and LPSO in the Mg matrix significantly increases Qc.The Qcvalue of the annealed alloy was larger than that of the solution treated alloy at all the strain levels(223.3 vs.195.5 k J/mol in average)and the largest difference in Qcbetween the two alloys was recorded at the smallest strain of 0.1 where precipitation of LPSO during deformation was limited in the solution treated alloy.These observations imply that the formation of LPSO phase out of the RE-rich solid solution matrix during deformation increases Qc,but the increment is not so large.Analysis of the hot compressive data of the alloys with LPSO phase and the alloys with RE-rich solid solution matrix in literatures indicates the similarity of the effect of the LPSO and RE-rich solid solution matrix phases on Qcand high-temperature strength.

Effects of dynamic recrystallization and strain-induced dynamic precipitation on the corrosion behavior of partially recrystallized Mg-9Al-lZn alloys

The corrosion susceptibility of recrystallized and un-recrystallized grains in equal channel angular pressed(ECAPed)Mg-9Al-lZn(AZ91)alloys immersed in chloride containing media was investigated through immersion testing and an electrochemical microcell technique coupledwith high resolution techniques such as scanning Kelvin probe force microscopy(SKPFM),transmission electron microscopy(TEM),andelectron backscatter diffraction(EBSD).During ECAP,dynamic recrystallization(DRX)and strain-induced dynamic precipitation(SIDP)simultaneously occurred,resulting in a bimodal grain structure of original elongated coarse grains and newly formed equiaxed fine grainswith a large volume fraction ofβ-Mg17Al12 precipitates.Corrosion preferentially initiates and propagates in the DRXed grains,owing tothe greater microchemistry difference between theβ-Mg17Al12 precipitates formed at the DRXed grain boundaries and the adjacentα-Mgmatrix,which induces a strong microgalvanic coupling between these phases.Additionally,the weaker basal texture of the DRXed grainsalso makes these grains more susceptible to electrochemical reactions than the highly textured un-DRXed grains.The influence of dynamicrecrystallization and dynamic precipitation was also studied in ECAPed alloys with differenl levels of deformation strain through corrosion andelectrochemical techniques.Increasing the strain level led to a more uniform corrosion with a shallow penetration depth,lower corrosion ratevalues,and higher protective ability of the oxide film.Furthermore,higher levels of strain resulted in greater hardness values of the ECAPedalloys.The superior corrosion resistance and strength of the ECAPed alloys with increasing strain level was attributed to the combination ofsmaller DRXed grain size,higher DRX ratio,and higher volume fraction of uniformly distributed fineβ-Mg17Al12 precipitates.c 2020 Published by Elsevier B.V.on behalf of Chongqing University.

Microstructural evolution in electroformed nickel shaped-charge liners with nano-sized grains undergone deformation at ultrahigh strain rate

Nickel shaped-charge liners with nano-sized grains were prepared by the electroforming technique, and the deformation at ultrahigh strain rate was performed by explosive detonation. The as-formed and post-deformed microstructures of electroformed nickel shaped-charge liners with nano-sized grains were observed by means of transmission electron microscopy, and the orientation distribution of the grains was analyzed by the electron backscattering pattern （EBSP） technique. The melting phenomenon in the jet fragment and the recovery and recrystallization in the slug after plastic deformation at ultrahigh-strain rate were observed in the ultrafine-grained nickel shaped-charge liners. The research evidence shows that dynamic recovery and recrystallization play an important role in plastic deformation at ultrahigh strain rate.