Liuyong He , Jiang Zheng , Mengning Xu , Tianjiao Li , Dongdi Yin , Bin Jiang , Fusheng Pan , Hao Zhou
{"title":"Towards extraordinary strength-ductility synergy in pure Mg via dislocation transmutation","authors":"Liuyong He , Jiang Zheng , Mengning Xu , Tianjiao Li , Dongdi Yin , Bin Jiang , Fusheng Pan , Hao Zhou","doi":"10.1016/j.ijplas.2024.104160","DOIUrl":"10.1016/j.ijplas.2024.104160","url":null,"abstract":"<div><div>Navigating the strength-ductility trade-off has been a persistent challenge in Mg alloys. Here, we address this issue through a novel multiple-direction pre-deformation at room temperature that introduces a high density of 〈<em>c</em> + <em>a</em>〉 dislocations into pure Mg via dislocation transmutation. This approach achieves a remarkable enhancement in the strength-ductility synergy, increasing the yield strength from 87.6 MPa to 156.6 MPa and improving elongation to failure from 7.7% to 17.6%. In general, introducing a high-density 〈<em>c</em> + <em>a</em>〉 dislocations in Mg alloys have been difficult due to the high CRSS at room temperature. Our findings reveal that extension twinning can act as a “dislocation converter,” transforming basal 〈a〉 dislocations in the matrix into 〈<em>c</em> + <em>a</em>〉 dislocations within twins. Intensive basal 〈a〉 dislocations were induced in pure Mg through pre-tension and subsequently transformed into 〈<em>c</em> + <em>a</em>〉 dislocations via extension twinning during compression. This process led to a substantial number of 〈<em>c</em> + <em>a</em>〉 dislocations and I<sub>1</sub> stacking faults, contributing to the enhanced strength. The high density of 〈<em>c</em> + <em>a</em>〉 dislocations, combined with I<sub>1</sub> stacking faults and a reduced c/a ratio within twins, enhances the activity of pyramidal 〈<em>c</em> + <em>a</em>〉 slip, thereby significantly improving ductility. This dislocation transmutation strategy offers a promising way for producing strength-ductility synergy in Mg alloys.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104160"},"PeriodicalIF":9.4,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142580559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jinhua Zhou , Jing Wang , Jungang Ren , Robert O. Ritchie , Zuncheng Wang , Yuchao Wu , Zhufeng He , Xin Wang , Ying Fu , Yifu Jiang , Lin Wang , Xiaowei Yin
{"title":"Exceptional tensile ductility and strength of a BCC structure CLAM steel with lamellar grains at 77 kelvin","authors":"Jinhua Zhou , Jing Wang , Jungang Ren , Robert O. Ritchie , Zuncheng Wang , Yuchao Wu , Zhufeng He , Xin Wang , Ying Fu , Yifu Jiang , Lin Wang , Xiaowei Yin","doi":"10.1016/j.ijplas.2024.104161","DOIUrl":"10.1016/j.ijplas.2024.104161","url":null,"abstract":"<div><div>The low-temperature tensile brittleness of body-centered cubic (BCC) metals and alloys can seriously compromise their service applications. In this study, we prepared a BCC structured China low activation martensitic steel (CLAM) steel with lamellar grains by regulating the rolling and heat-treatment processes, successfully reversing the decreasing trend of ductility in the steel with decrease in temperature. Compared with current face-centered cubic (FCC) structural steels and high-entropy alloys, the lamellar grained CLAM steel exhibits an excellent synergy of strength and ductility at 77K, but with lower raw material costs. The superior low temperature ductility of the lamellar grained steel can be attributed to an increase in grain strength at low temperatures which promotes the propagation of layered tearing cracks; this in turn leads to a significant increase in the necking area of the steel, thereby compensating for the decrease in ductility. We conclude that our lamellar grain structures can be utilized to significantly enhance the low-temperature tensile ductility of BCC metals and alloys, thereby expanding their service range to cryogenic temperatures.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104161"},"PeriodicalIF":9.4,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shilei Liu , Haitao Gao , Daixiu Wei , Charlie Kong , L.S.R. Kumara , M.W. Fu , Hailiang Yu
{"title":"Deformation mechanism of a metastable medium entropy alloy strengthened by the synergy of heterostructure design and cryo-pre-straining","authors":"Shilei Liu , Haitao Gao , Daixiu Wei , Charlie Kong , L.S.R. Kumara , M.W. Fu , Hailiang Yu","doi":"10.1016/j.ijplas.2024.104162","DOIUrl":"10.1016/j.ijplas.2024.104162","url":null,"abstract":"<div><div>Face-centered cubic (FCC) medium entropy alloys (MEAs) have received considerable attention due to their impressive mechanical properties and responses. However, their practical application is limited by their modest yield strengths. The potential enhancement of the mechanical properties of single-phase MEAs was explored in this study through a synergistic approach combining heterogeneous structure design with subsequent cryo-pre-straining. A heterogeneous lamella structure was produced in a single-phase Fe<sub>55</sub>Mn<sub>20</sub>Cr<sub>15</sub>Ni<sub>10</sub> MEA via two-step rolling and annealing. Cryo-pre-straining at varying degrees (6, 12, 21, and 36%) introduced hexagonal close-packed (HCP) phase, high-density dislocations, twins, and stacking faults, leveraging the reduced stacking fault energy at cryogenic temperatures. This process enhanced the alloy's yield strength from 353 MPa to 1.2 GPa (compared to the baseline uniform coarse-grained structure), while maintaining an acceptable total elongation of 8.4%. The impact of cryo-pre-straining on the microstructure and mechanical properties of the MEA was assessed using <em>in</em>-<em>situ</em> synchrotron X-ray diffraction analysis. Cryo-pre-straining (36%) achieved a higher dislocation density (6.1 × 10<sup>15</sup> <em>m</em><sup>−2</sup>) compared to room-temperature straining (2.5 × 10<sup>15</sup> <em>m</em><sup>−2</sup>). The stress contribution from HCP-martensite and the evolution of dislocation density during loading were quantified, along with observations of negative stacking fault probability and strain-induced HCP→FCC reverse transformation in cryo-pre-strained samples under loading conditions. Furthermore, the contributions of regulated microstructures to the enhancement of yield strength were quantitatively assessed.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104162"},"PeriodicalIF":9.4,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Dynamic deformation and fracture of brass: Experiments and dislocation-based model","authors":"E.S. Rodionov, V.V. Pogorelko, V.G. Lupanov, A.G. Fazlitdinova, P.N. Mayer, A.E. Mayer","doi":"10.1016/j.ijplas.2024.104165","DOIUrl":"10.1016/j.ijplas.2024.104165","url":null,"abstract":"<div><div>In this work, we perform a comprehensive study of the dynamic deformation and fracture of brass, including Taylor tests with classical and profiled cylinders and ball throwing experiments reaching the strain rates of about (0.1−1)/μs, as well as atomistic and continuum-level numerical modeling. Molecular dynamics (MD) simulations are used to construct the equation of state (EOS) of brass and to study its fracture characteristics at shear deformation under negative pressure. An original model of fracture under combined tensile-shear loading is formulated, which takes into account both the accumulation of empty volume in the process of lattice loosening due to the lattice defect production in the course of plastic deformation and further mechanical growth of voids controlled by the dislocation plasticity. This atomic-scale model is transmitted to the macroscopic experiment-scale level and embedded into 3D dislocation plasticity model to describe the dynamic deformation and fracture of brass using the numerical scheme of smoothed particle hydrodynamics (SPH). A part of experimental data is used to find the optimal parameters of the dislocation plasticity model by means of the Bayesian global optimization method accelerated with the help of artificial-neural-network (ANN)-based emulator of the 3D model. Another part of experimental data is used to fit the fracture model parameter. The remaining experimental data, which are not used in the parameterization, are applied to verify the parameterized model. The developed physical-based model provides correct and meaningful description of the dynamic deformation and fracture of brass, while the developed formalized approach to its parameterization opens a way to wider use of this type of models in the engineering applications, including studies on dynamic performance and high-speed processing technologies.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104165"},"PeriodicalIF":9.4,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142563076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pan-dong Lin , Jun-feng Nie , Wen-dong Cui , Lei He , Shu-gang Cui , Guo-chao Gu , Gui-yong Xiao , Yu-peng Lu
{"title":"Understanding stacking fault tetrahedron formation in FCC stainless steel: A fusion of transmission electron microscopy, molecular dynamics, and machine learning","authors":"Pan-dong Lin , Jun-feng Nie , Wen-dong Cui , Lei He , Shu-gang Cui , Guo-chao Gu , Gui-yong Xiao , Yu-peng Lu","doi":"10.1016/j.ijplas.2024.104157","DOIUrl":"10.1016/j.ijplas.2024.104157","url":null,"abstract":"<div><div>The stacking fault tetrahedron (SFT) formation displays a pronounced size effect, progressing from vacancy equilateral triangular plate to perfect SFT, and eventually to truncated SFT, as demonstrated in numerous irradiated face-centered cubic metals. However, the presence of distinct SFT structures in F321 stainless steel has not been reported. This study explored the SFT formation mechanism in irradiated F321 stainless steel using transmission electron microscopy (TEM), molecular dynamics (MD) simulations, and machine learning. SFTs, Frank loops, and Lomer-Cottrell locks were found to be widely generated in the irradiated F321 steel. The critical size for truncated and perfect SFTs was determined using MD simulations; the results were consistent with the theoretical predictions. Additionally, the twin boundaries observed through TEM, which were attributed to the elevated tensile stress near the boundaries, facilitated the formation of perfect SFTs. Moreover, interstitial Frank loops also facilitated the formation of perfect SFTs. This study also explored the influence of variations in Ni and Cr concentrations on the critical size <em>n<sub>1</sub></em> for the transition from vacancy plates to perfect SFTs and <em>n<sub>2</sub></em> for the transition from perfect SFTs to truncated SFTs, using a combination of MD and machine learning methods. As the Ni concentration increased and the Cr concentration decreased, <em>n<sub>1</sub></em> and <em>n<sub>2</sub></em> increased; conversely, the critical sizes decreased when the Ni concentration decreased and the Cr concentration increased. These insights reveal the systematic mechanism of SFT formation under varied conditions, offering new perspectives for understanding the nano-defects in F321 stainless steel.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104157"},"PeriodicalIF":9.4,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Amirhossein Lame Jouybari , Samir El Shawish , Leon Cizelj
{"title":"Fast Fourier transform approach to Strain Gradient Crystal Plasticity: Regularization of strain localization and size effect","authors":"Amirhossein Lame Jouybari , Samir El Shawish , Leon Cizelj","doi":"10.1016/j.ijplas.2024.104153","DOIUrl":"10.1016/j.ijplas.2024.104153","url":null,"abstract":"<div><div>The Strain Gradient Crystal Plasticity (SGCP) model, based on cumulative shear strain, is developed to regularize and simulate the size effect behavior of polycrystalline aggregates, specifically addressing the formation of localization bands, such as slip and kink bands, influenced by strain softening during the initial stages of plastic deformation. In this respect, the thermodynamically consistent derivation of the SGCP equations is presented, establishing their connection to the kinematics of classical crystal plasticity (CCP) framework. The governing balance equations are solved using the fixed-point algorithm of the fast Fourier transform (FFT)-homogenization method, involving explicit coupling between the classical and SGCP balance equations. To address this problem, a strong 21-voxel finite difference scheme is established. This scheme is considered to solve the higher order balance equation inherent to SGCP. Additionally, three types of interface conditions are implemented to explore the impact of grain boundaries on the transmission of localization bands. These conditions yield consistent intragranular/transgranular localization patterns in the MicroFree and MicroContinuity cases, while in the MicroHard condition all localization bands are intragranular with stress concentrations appearing at the grain boundaries.</div><div>Analytical solutions corresponding to different material behaviors are developed and compared with numerical results to validate the numerical implementation of the FFT fixed-point algorithm. It is observed that both the macroscopic behavior and microscopic variables in CCP framework are highly influenced by grid resolutions (non-objective), leading to numerical instabilities arising from the material softening and subsequent formation of localization bands, both in single crystals and polycrystalline aggregates. Remarkably, the developed SGCP model provides results that are independent of grid resolutions (objective) and effectively regularizes the material behavior on local scale. Moreover, the non-local parameter of the model is capable of controlling the localization band widths. Finally, the proposed SGCP model, together with employed MicroHard condition on grain boundaries, is demonstrated to qualitatively reproduce main microstructural features of irradiated polycrystalline materials.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104153"},"PeriodicalIF":9.4,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142541511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jinxiong Hou , Jie Gan , Tao Wang , Jianchao Han , Zhongkai Ren , Zhihua Wang , Junwei Qiao , Yong Zhang , Tao Yang
{"title":"Dynamic strain ageing of L12-strengthened Ni-Co base high-entropy alloy and unraveling its deformation mechanisms in strain ageing process","authors":"Jinxiong Hou , Jie Gan , Tao Wang , Jianchao Han , Zhongkai Ren , Zhihua Wang , Junwei Qiao , Yong Zhang , Tao Yang","doi":"10.1016/j.ijplas.2024.104151","DOIUrl":"10.1016/j.ijplas.2024.104151","url":null,"abstract":"<div><div>Dynamic strain ageing (DSA) of L1<sub>2</sub>-strengthened Ni-Co base high-entropy alloy (HEA) was examined at temperatures varying from 20 to 600 °C with strain rates between 10<sup>–</sup><sup>2</sup> to 10<sup>–4</sup> s<sup>-1</sup>. In normal DSA regimes, elevating temperature or lowering strain rate advances the DSA behavior, resulting in the lowered critical strain and raised amplitude of serrations. Based on strain-rate jump tests, the negative strain-rate sensitivity induced by DSA was observed at the elevated temperature regime, and high apparent activation volumes ranging from 97<span><math><mspace></mspace></math></span>∼ 737<span><math><msup><mi>b</mi><mn>3</mn></msup></math></span> correspond to the strong obstacles effect from the precipitates and the additional pinning strengthening of solute atoms. Transmission electron microscopy evidence suggests that stacking faults prevailed at all testing temperatures, while the serration changes are the outcomes of their dynamic interactions with precipitates and condensed Cr, Co-rich solute cloud. Subsequently, in normal DSA regimes, activation energies required for the onset of type A, a mixture of type A and type A + C, and a mixture of type <em>A</em> + <em>B</em> and type C serrations are 30.6, 65.8, and 101.1 kJ/mol determined by strain ageing model at strain rates of 10<sup>–2</sup>, 10<sup>–3</sup>, and 10<sup>–4</sup> s<sup>-1</sup>, respectively. Lastly, a two-time parameter-based Cottrell-Bilby strain aging kinetic model that considers the solute-dislocation interaction in a pipe diffusion manner is applied to evaluate the DSA strengthening concerning strain, strain rate, and temperature.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104151"},"PeriodicalIF":9.4,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519712","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zuosheng Li , Lei Zhang , Bob Svendsen , Quanyi Xue , Sai Tang , Yunzhu Ma , Wensheng Liu
{"title":"Heterogeneous phase deformation in a dual-phase tungsten alloy mediated by the tungsten/matrix interface: Insights from compression experiments and crystal plasticity modeling","authors":"Zuosheng Li , Lei Zhang , Bob Svendsen , Quanyi Xue , Sai Tang , Yunzhu Ma , Wensheng Liu","doi":"10.1016/j.ijplas.2024.104156","DOIUrl":"10.1016/j.ijplas.2024.104156","url":null,"abstract":"<div><div>Tungsten heavy alloy (WHA) is a typical multiphase alloy material consisting of hard tungsten (W) and soft matrix (γ) phases. When loaded, the two phases deform quite differently due to the large difference in their mechanical properties. At present, our understanding of phase deformation and behavior in the multiphase context is relatively poor compared to the single phase case. Such insight is necessary, however, for the design of multiphase alloys having optimal phase microstructure and corresponding material behavior. By combining mechanical testing and crystal plasticity modeling, the relationship between phase microstructure and multiphase alloy deformation behavior is systematically investigated in this work. The results demonstrate that deformation in the W and γ phases is quite different and related to the contrast in material properties between the two phases. Deformation heterogeneity in the multiphase alloy is characterized by the strain gradient near/across the W/γ interface and differences in phase deformation states in relation to the contrast in phase material properties and phase volume fraction. It is found that dislocation pile-up and twinning are the main mechanisms mediating heterogeneous deformation in the region around W/γ interfaces. Based on this insight, a novel design strategy for multiphase alloys is proposed based on optimization of the contrast in phase mechanical properties and the phase volume fractions. This strategy can be employed to design new tungsten alloys and other multi-phase alloys.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104156"},"PeriodicalIF":9.4,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yong Hou , Junying Min , Hyung-Rim Lee , Jinjin Ha , Namsu Park , Myoung-Gyu Lee
{"title":"A generalized, computationally versatile plasticity model framework - Part II: Theory and verification focusing on shear anisotropy","authors":"Yong Hou , Junying Min , Hyung-Rim Lee , Jinjin Ha , Namsu Park , Myoung-Gyu Lee","doi":"10.1016/j.ijplas.2024.104158","DOIUrl":"10.1016/j.ijplas.2024.104158","url":null,"abstract":"<div><div>Shear-dominated deformation (SHDD) is pivotal in sheet metal forming; however, comprehensive modeling of plastic anisotropy in SHDD, specifically shear anisotropy considering both yield stress and plastic flow, has been inadequately addressed in existing literature. In this work, a generalized constitutive framework is introduced on the basis of stress triaxiality-dependent state variable to accurately emulate plastic anisotropy and the physics-based shear constraint in SHDD. The framework is capable to seamlessly integrate with existing yield criteria, preserving computational efficiency and versatility. Notably, the yield function, anisotropic parameters, and their optimization or analytical determination for the non-shear deformation state remain unaltered. When integrated with the Hill48 yield function, featuring either one or two anisotropic parameters within the generalized constitutive framework, precise characterization of yield strength and plastic flow in SHDD is achieved. The applicability of the framework extends to various anisotropic yield functions such as the widely employed Yld2k-2d and the sixth-order polynomial (Poly6) function as a class of associated flow rule-based yield functions, and one non-quadratic yield function for non-associated flow rule scenarios. Experimental validation with two engineering sheet metals, high-strength dual-phase steel DP980 and high-strength aluminum alloy AA7075-T6, was conducted. Comparative analyses with several recently proposed yield criteria, especially Poly6–18p, highlighted the efficiency of the proposed constitutive framework. Furthermore, this study explores intrinsic shear constraints, particularly the absence of through-thickness strains under in-plane shear stress. Additionally, it offers an enhanced description of plastic anisotropy in shear yield stress within the general framework, providing valuable insights into the complexities of SHDD.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104158"},"PeriodicalIF":9.4,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519711","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yang Mo , Yanxiang Liang , Wei Guo , Yiming Tian , Qiang Wan
{"title":"Atomistic simulation of chemical short-range order on the irradiation resistance of HfNbTaTiZr high entropy alloy","authors":"Yang Mo , Yanxiang Liang , Wei Guo , Yiming Tian , Qiang Wan","doi":"10.1016/j.ijplas.2024.104155","DOIUrl":"10.1016/j.ijplas.2024.104155","url":null,"abstract":"<div><div>High entropy alloys (HEAs) have been considered as one of the potential structural material candidates for fourth-generation nuclear reactors and fusion reactors due to their excellent irradiation resistance. Current studies have shown that the chemical short-range order (CSRO) usually exists in HEAs, which has a significant effect on the mechanical properties and irradiation resistance of HEAs. Refractory high entropy alloys (RHEAs), as a new class of HEAs have better mechanical properties at high temperatures than face-centered cubic (FCC) HEAs, and therefore have better prospects of application in the nuclear field. In this study, CSRO and its effect on the irradiation resistance of HfNbTaTiZr are analyzed via molecular dynamics (MD) and Monte Carlo (MC). The primary cascade simulations, multi-cascade simulations and surface bombardment simulations are carried out to simulate the generation and accumulation of irradiation damage. The results of the primary cascade simulations and surface bombardment simulations of CSRO models show that the presence of CSRO induces cascade splitting into subcascades. The presence of subcascades reduces the thermal peak enhancement effect and thus lowers the recombination rate of Frenkel pairs (FPs) in the damage zone when FPs concentrations are low. However, the creation of subcascades increases the size of the damage zone caused by the cascade. Thus, when the concentrations of FPs are high, the larger area of damage zone allows more of the already existing FPs to be included, thus promoting their recombination, i.e., impedes their accumulation when concentrations are high. These subcascades lower the recombination of FPs at low FPs concentrations but inhibit their accumulation at high FPs concentrations. The presence of CSRO is also beneficial in inhibiting the growth of point defect clusters, which further improves the resistance of HfNbTaTiZr to dislocation generation. Furthermore, the presence of CSRO facilitates the irradiation-induced phase transition. But it is found that HfNbTaTiZr shows suppression of hexagonal close-packed (HCP) cluster growth. And the tendency to break down large HCP clusters into smaller ones is demonstrated in the CSRO model. From our calculations we also find that the irradiation-induced HCP atoms have a higher potential energy relative to the matrix. The potential energy difference between those energetic HCP atoms and the matrix can lead to generating a great number of insurmountable barriers pervading the matrix and largely suppressing the long-term mobility of FPs, thus limiting their aggregation and growth into clusters.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104155"},"PeriodicalIF":9.4,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142488123","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}