Acta Materialia最新文献

{"title":"Multiscale modeling of hydrogen diffusion in iron: Effect of applied stresses and dislocations","authors":"Gonzalo Álvarez ,&nbsp;Álvaro Ridruejo ,&nbsp;Javier Segurado","doi":"10.1016/j.actamat.2025.121842","DOIUrl":"10.1016/j.actamat.2025.121842","url":null,"abstract":"<div><div>Modeling hydrogen diffusion and its absorption in traps is a fundamental first step towards the understanding and prediction of hydrogen embrittlement. In this study, a multiscale approach which includes DFT simulations, object kinetic Monte Carlo code (OkMC), and phase-field dislocations is developed to study the movement of hydrogen atoms in alpha-iron under the effect of applied stress and containing dislocations. At the nanoscale the interaction energies of hydrogen on different sites of the iron lattice are studied using DFT. At the microscale, this information is used to feed a lattice OkMC which aims to evolve the arrangement of a large set of hydrogen atoms into the iron lattice considering point defects and the presence of dislocations. At the continuum level, an array of dislocations is introduced using a phase-field approach to accurately consider their elastic fields and core regions. The OKMC model includes both the chemical energies of H and vacancies and the elastic interactions between them and with the dislocations. The elastic interaction is obtained by an FFT-based approach which efficiently computes the elastic microfields created by the defects in an anisotropic medium.</div><div>The framework has been used to obtain the diffusivity tensor of hydrogen as a function of the external stress state, temperature, and dislocation content. It has been found that dislocations break the isotropy of the crystal diffusivity and considerably reduce its value by the effect of the microstresses around the them.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121842"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145784596","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":"Thermodynamics of compositionally complex (“high-entropy”) oxides – A-site mixed (5R0.2)CoO3-δ (R = rare-earth element) perovskite-type cobaltites","authors":"Vladimir V. Sereda ,&nbsp;Dmitry S. Tsvetkov ,&nbsp;Anna V. Sereda ,&nbsp;Dmitry A. Malyshkin ,&nbsp;Ivan L. Ivanov ,&nbsp;Irina A. Bajenova ,&nbsp;Semen S. Kuzovchikov ,&nbsp;Alexandra V. Khvan ,&nbsp;Andrey Yu. Zuev","doi":"10.1016/j.actamat.2026.121943","DOIUrl":"10.1016/j.actamat.2026.121943","url":null,"abstract":"<div><div>Due to their unique magnetic and electronic properties, materials based on rare-earth perovskite-type cobaltites are promising for electronic and energy conversion applications. In this study, several single-phase cobaltites (5R_0.2)CoO_3-δ with five different rare-earth elements R in the A-sublattice were synthesized via the glycerol-nitrate technique. X-ray diffraction (XRD) confirmed the orthorhombic (<em>Pnma</em>) perovskite structure of (5R_0.2)CoO_3-δ, and energy-dispersive microanalysis showed a uniform cation distribution in these oxides. The heat capacity of (5R_0.2)CoO_3-δ was investigated using differential scanning calorimetry, and the enthalpy of formation was determined via reduction reaction calorimetry and drop solution calorimetry. The heat capacity curves, dominated above room temperature by the broad peak associated with the cobalt spin state transition, closely resemble those of the “simple” rare-earth cobaltites RCoO_3-δ. Similarly, trends in the enthalpies of reduction in hydrogen and the enthalpies of formation from binary oxides (R₂O₃ and CoO) are identical for (5R_0.2)CoO_3-δ and RCoO_3-δ. This indicates enhanced stability for the oxides with larger average radius of the rare-earth ions (i.e., the Goldschmidt tolerance factor closer to 1). The calculated enthalpies of mixing in the A-sublattice of (5R_0.2)CoO_3-δ are close to zero, suggesting that these solid solutions can be regarded as near-ideal ones. The absence of significant enthalpic destabilization in the (5R_0.2)CoO_3-δ oxide systems indicates the feasibility of synthesizing multiple perovskite cobaltites that are thermodynamically stable in wide temperature ranges, down to room temperature. This offers the potential to finely tune A-site ion sizes and dependent properties by varying the complex composition.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121943"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145995334","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":"Micropores governed high-temperature oxidation behavior of Cr coatings: Kinetics analysis and phase-field modeling","authors":"Jianxi Deng ,&nbsp;Jiadong Zuo ,&nbsp;Chuanxin Liang ,&nbsp;Donghui Geng ,&nbsp;Shuaiyang Liu ,&nbsp;Shangle Huo ,&nbsp;Qiaoyan Sun ,&nbsp;Zhongxiao Song ,&nbsp;Jun Sun","doi":"10.1016/j.actamat.2026.121931","DOIUrl":"10.1016/j.actamat.2026.121931","url":null,"abstract":"<div><div>Micropores are often regarded as external issues and receive less attention in material oxidation research. Here, the high-temperature oxidation performance of ∼15 μm Cr coatings on Zr alloys in 1000–1200 °C steam is studied, revealing that the oxidation behavior is governed by the pore-generation process associated with the intrinsic properties of coatings. During oxidation, three distinct kinetic stages are observed: an early parabolic stage, a parabolic-deviation stage, and a subsequent acceleration stage. The small characteristic sizes of the coatings suppress dislocation activity, leading to the accumulation of oxidation stresses at the Cr₂O₃/Cr interfaces. This process induces pore aggregation in Cr₂O₃ and the corresponding kinetic transition from stage I to II. Subsequently, the outward diffusion of Zr results in the formation of pores at both the Cr/Zr interfaces and within the coatings, triggering the coating structural collapse and driving the kinetics transition from stage II to III. Phase-field simulation is conducted to elucidate the pore-generation mechanism and its impact on the oxidation behavior of Cr coatings; a universal oxidation kinetics map is also constructed. This study provides a unique insight into the high-temperature oxidation mechanism of coating materials.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121931"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145961817","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":"General linear correction method for DFT+X energy: Application to U-M (M=Al, Ga, In) alloys under high pressure","authors":"Xiao L. Pan ,&nbsp;Hong X. Song ,&nbsp;Y. Sun ,&nbsp;F.C. Wu ,&nbsp;H. Wang ,&nbsp;Y.F. Wang ,&nbsp;Y. Chen ,&nbsp;Xiang R. Chen ,&nbsp;Hua Y. Geng","doi":"10.1016/j.actamat.2026.121935","DOIUrl":"10.1016/j.actamat.2026.121935","url":null,"abstract":"<div><div>DFT+<em>X</em> methods, such as DFT+<em>U</em> and DFT+DMFT, are important supplements to standard density functional theory when strong on-site Coulomb interactions are present. However, the involvement of external parameters in the underlying model Hamiltonian introduces intrinsic ambiguity when comparing the total energies obtained with different model parameters. This renders DFT+<em>X</em> approaches semi-empirical and severely hinders their capability to describe phase ordering and phase stability, especially when reliable experimental benchmarks are unavailable, such as under high pressure. In this work, we resolve this longstanding problem by proposing a general linear correction method that eliminates the ambiguous energy contributions introduced by the model Hamiltonian in DFT+<em>X</em> approaches, thereby enabling direct comparison of their energies calculated with different interaction parameters. The method is demonstrated and validated within the framework of DFT+<em>U</em>, an important member of the DFT+<em>X</em> family. It is then applied to important nuclear materials of uranium-based binaries U-M (<em>M</em>=Al, Ga, In) alloys. With this approach, we resolve the long-standing discrepancy between theoretical predictions and experimental observations of phase stability with unprecedented accuracy, and predict several previously unknown stable intermetallic compounds under high pressure. The broad applicability of the method is further confirmed by accurate predictions of formation enthalpies for diverse systems, including Np-Al, U-Si, and Cu-O binaries, the ternary MnSnAu compound, and oxygen adsorption on the Cu(111) surface. This work establishes linear-corrected DFT+<em>U</em> as a fully first-principles approach and validates the linear correction method as a robust and general scheme that can be readily extended to other DFT+<em>X</em> methods.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121935"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145962461","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":"Outstanding strength–ductility synergy in a gradient stainless steel produced by additive manufacturing","authors":"Shaohua Yan ,&nbsp;Ilchat Sabirov ,&nbsp;Qinghua Qin ,&nbsp;Xiaozhou Liao","doi":"10.1016/j.actamat.2026.121940","DOIUrl":"10.1016/j.actamat.2026.121940","url":null,"abstract":"<div><div>Additively manufactured (AM) 316 L stainless steel exhibits only moderate room-temperature strength, limiting its use in demanding service. Ceramic reinforcement can raise strength but typically degrades ductility. Here, we employ multi-material AM to architect gradient structures comprising 316 L and 316L/TiC. The as-built alloys display four coupled gradients, including grain size, grain-boundary character, precipitate distribution, and chemical composition, at a complexity not achieved by traditional synthesis approaches. These gradient structures deliver concurrent increases in yield and ultimate tensile strengths with only marginal loss of ductility; their strength–ductility combinations surpass those of both homogeneous and conventionally gradient 316 L produced by AM or traditional synthesis approaches. Mechanistically, the superior performance arises from refined grains, high densities of nanoscale precipitates and twin boundaries, and the associated elevated strain-hardening capacity that stabilizes uniform plastic flow. We further develop a quantitative strength model that superposes contributions from grain refinement, precipitation, twinning, and compositional gradients, accurately predicting the measured yield strengths. These findings establish a pathway for designing gradient metal alloys with exceptional mechanical properties via multi-material AM.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121940"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972496","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":"Significantly enhanced heat transport capability across nitrogen-doped graphene/metal interface through lattice substitution induced inelastic phonon scattering","authors":"Haoyu Huang ,&nbsp;Kunming Yang ,&nbsp;Song Hu ,&nbsp;Boan Zhong ,&nbsp;Yu Wang ,&nbsp;Qi Zhang ,&nbsp;Jiamiao Ni ,&nbsp;Yufei Liu ,&nbsp;Xiaokun Gu ,&nbsp;Yue Liu ,&nbsp;Tongxiang Fan","doi":"10.1016/j.actamat.2026.121908","DOIUrl":"10.1016/j.actamat.2026.121908","url":null,"abstract":"<div><div>Interface defects play a critical role in heat transport across metal/nonmetal interfaces, constructing defect-controllable interfaces and investigating phonon behaviors related heat transport mechanisms may facilitate the design of advanced devices with enhanced interfacial heat transport performance. In this work, the nitrogen-doped graphene (marked as N-Gr) with gradient defect density was synthesized on copper (Cu) via vapor deposition process. Compared to other methods, such as plasma treatment and ion beam bombardment, defect density of N-Gr/Cu interface was precisely modified and quantified through nitrogen doping process. Based on microstructure characterizations, including time-domain thermorefletance (TDTR) measurements, first-principles density functional theory (DFT) calculations and temperature-dependent non-equilibrium molecular dynamics (NEMD) simulations, the influence of two types of N doping atoms (substitutional N and interstitial N) on interfacial phonon transport behaviors were identified. The authors believe that the substitutional N atoms within Gr lattice may activate inelastic phonon scattering with high-frequency to low-frequency phonons, which are providing additional interfacial heat transport channels with significantly enhanced thermal boundary conductance (<em>G</em>) of the Al/N-Gr/Cu interface from ∼31 to ∼48 MW/m²·K. However, the interstitial N atoms within Gr interlayers impede low-frequency phonons from transporting across Al/N-Gr/Cu interfaces, thus leading to a reduced <em>G</em>. These two types of N atoms form a critical effect in dominating heat transport mechanisms at Al/N-Gr/Cu interfaces. The present findings suggest that lattice substitution may be an effective approach to soften high-frequency phonons and promote heat transport across metal/nonmetal interfaces.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121908"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034990","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":"Sequential Bayesian Inference of the GTN damage model using multimodal experimental data","authors":"Mohammad Ali Seyed Mahmoud ,&nbsp;Dominic Renner ,&nbsp;Ali Khosravani ,&nbsp;Surya R. Kalidindi","doi":"10.1016/j.actamat.2026.121902","DOIUrl":"10.1016/j.actamat.2026.121902","url":null,"abstract":"<div><div>Reliable parameter identification in ductile damage models remains challenging because the salient physics of damage progression are localized to small regions in material responses, and their signatures are often diluted in specimen-level measurements. Here, we propose a sequential Bayesian Inference (BI) framework for the calibration of the Gurson–Tvergaard–Needleman (GTN) model using multimodal experimental data (i.e., the specimen-level force–displacement (F–D) measurements and the spatially resolved digital image correlation (DIC) strain fields). This calibration approach builds on a previously developed two-step BI framework that first establishes a low-computational-cost emulator for a physics-based simulator (here, a finite element model incorporating the GTN material model) and then uses the experimental data to sample posteriors for the material model parameters using the Transitional Markov Chain Monte Carlo (T-MCMC). A central challenge to the successful application of this BI framework to the present problem arises from the high-dimensional representations needed to capture the salient features embedded in the F–D curves and the DIC fields. In this paper, it is demonstrated that Principal Component Analysis (PCA) provides low-dimensional representations that make it possible to apply the BI framework to the problem. Most importantly, it is shown that the sequence in which the BI is applied has a dramatic influence on the results obtained. Specifically, it is observed that applying BI first on F–D curves and subsequently on the DIC fields produces improved estimates of the GTN parameters. Possible causes for these observations are discussed in this paper, using AA6111 aluminum alloy as a case study.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121902"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145923458","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":"Composition-driven nanotwin engineering in sputtered Ni-Fe and Ni-Cr films: linking fault energetics to twin thickness","authors":"Mohammad Hadi Yazdani ,&nbsp;Aoyan Liang ,&nbsp;Ashley J. Maldonado Otero ,&nbsp;Yi Liu ,&nbsp;Diana Farkas ,&nbsp;Andrea M. Hodge ,&nbsp;Timothy J. Rupert ,&nbsp;Irene J. Beyerlein ,&nbsp;Paulo S. Branicio","doi":"10.1016/j.actamat.2025.121890","DOIUrl":"10.1016/j.actamat.2025.121890","url":null,"abstract":"<div><div>In this study, molecular dynamics (MD) simulations are combined with magnetron co-sputtering experiments to examine how Ni-Fe and Ni-Cr compositions affect defect energetics and twin microstructure in thin films. These simulations represent the first direct modeling of nanotwin formation during atomistic thin film deposition. Ensemble MD simulations reveal substantial stochastic variability in grain structure and twin development across deposition runs, yet clear compositional trends emerge. Cr-rich Ni-Cr alloys form dense twin networks with narrow spacing, while Fe-rich Ni-Fe alloys exhibit fewer twins with significantly larger spacing. Scanning transmission electron microscopy (STEM) of Ni-Cr films confirms the predicted high twin density and reduced spacing, validating the link between alloy composition and growth twin formation. Notably, both simulations and experiments reveal that the distribution of twin boundary spacings is log-normal, reflecting the stochastic nature of twin nucleation during deposition. Composition-dependent maps from MD simulations further demonstrate that small variations in Ni-Cr and Ni-Fe chemistry can systematically tune twin boundary formation and enable the design of nanoscale twin architectures. This integrated computational-experimental study establishes a clear inverse relationship between stacking fault energy and average twin spacing, offering a pathway for engineering nanostructured coatings with tailored twin networks and enhanced properties.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121890"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145902588","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":"Oxidation-induced dissolution initiated from semicoherent δ/matrix interface in Inconel 718 superalloy","authors":"Mingzhe Liu ,&nbsp;Xiaojia Wei ,&nbsp;Yunsong Zhao ,&nbsp;Yanhui Chen ,&nbsp;Liwei Cao ,&nbsp;Weiyi Wu ,&nbsp;Xueqiao Li ,&nbsp;Xingfei Pei ,&nbsp;Ang Li ,&nbsp;Lihua Wang ,&nbsp;Xiaodong Han","doi":"10.1016/j.actamat.2026.121924","DOIUrl":"10.1016/j.actamat.2026.121924","url":null,"abstract":"<div><div>Interfaces such as grain boundaries, phase interfaces, precipitate/matrix interfaces and defect/matrix interfaces disrupt long-range atomic arrangement order and elemental distribution continuity. Reinforcing interfaces to enhance their mechanical performance and corrosion resistance is essential for their application in harsh service environments. The interfaces of numerous alloys have been mechanically enhanced by processing or element control. In most instances, interfaces still serve as initial oxidation sites, degrading the overall properties of the alloy. Hence, improving the corrosion resistance of an interface is still necessary to improve their applicability. In particular, for Inconel 718 alloys, a primary failure scenario is corrosion-induced failure in harsh working environments, such as high-temperature coupled oxygen-rich environments. This type of failure is normally considered to be initiated from the high quantity of δ/matrix phase interfaces. However, the understanding of the oxidation mechanisms and dynamics initiated at the δ/matrix phase interface is still limited because of a lack of <em>in situ</em> high spatial resolution studies. Here, the thermal oxidation behavior of the semicoherent δ/matrix interface in the Inconel 718 alloy is studied via aberration-corrected environmental transmission electron microscopy (ETEM). The dynamic evolution of the two-phase interface down to the atomic scale is revealed via <em>in situ</em> experiments. Preferential oxidation from the δ/matrix phase interface occurs at relatively low temperatures. Moreover, selective oxidation induces mutual mass transfer on both sides of the interface. Combined with the findings from molecular dynamics simulations, the results confirm that the semicoherent δ/matrix boundary exhibits a large lattice misfit and high energy, which ultimately facilitates the preferential oxidation of the interface. This work provides direct experimental data on the stress corrosion of superalloys and offers reference data for material design and improvement.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121924"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145956498","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":"In-situ observations of misfit dislocation motion in AlSb/GaSb dislocation filter layer structures","authors":"Karl Graser ,&nbsp;Audrey Gilbert ,&nbsp;Jean-Baptiste Rodriguez ,&nbsp;Eric Tournié ,&nbsp;Achim Trampert","doi":"10.1016/j.actamat.2026.121946","DOIUrl":"10.1016/j.actamat.2026.121946","url":null,"abstract":"<div><div>The dislocation dynamics in epitaxially strained GaSb/AlSb/GaSb heterostructures grown on a Si(001) substrate via molecular beam epitaxy have been studied by means of scanning transmission electron microscopy. The 100 nm-thick AlSb layer – intentionally inserted as dislocation filter – is partially relaxed by bending pre-existing threading dislocations of the GaSb buffer into the interface with AlSb, creating a complex network of misfit dislocations. In addition to the expected misfit dislocation lines along the orthogonal 〈110〉 directions, irregular curved lines are also detected. Plan-view lamellae of the as-grown heterostructure were annealed in-situ in the microscope at temperatures well above the growth temperature to observe the propagation and interaction of the dislocations in real time. It was found that the (thermally activated) motion of misfit dislocations occurs independently of their Burgers vectors within the interface plane, which is not one of the primary slip systems of zinc-blende crystal structure, and without affecting the threading dislocation configuration in the filter layer. This unusual dislocation motion at this later stage of plastic relaxation (already 50% of lattice mismatch is relieved in the as-grown heterostructure AlSb layer) can only be explained by a non-conservative dislocation climb process on the one hand, and a vacancy-assisted slip on the other hand as it was recently discovered using molecular dynamics modeling. The results provide deeper insights into the thermal activation of dislocations in epitaxially strained systems and reveal potential for re-examining the conditions of those epi‑layers as dislocation filters<strong>.</strong></div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121946"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146000632","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}