Article
Physics, Condensed Matter
Xuepeng Liu, Runlong Xing, Hua Zhai, Pin Lu, Gangfeng Wang, Changzheng Cheng
Summary: Atomistic simulations were conducted to study the compressive response and deformation mechanisms of BCC AlCrFeCoNi high-entropy alloys. The BCC HEA experiences three typical deformation stages: linear elastic behavior, plastic yielding, and yield flow. The plastic deformation mechanism is dominated by dislocation nucleation and slip accompanied by shear bands. Compared to the face-centered-cubic counterpart, the BCC HEA is harder and more brittle.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Chemistry, Multidisciplinary
Chang Liu, Jizhe Cui, Zhiying Cheng, Bozhao Zhang, Siyuan Zhang, Jun Ding, Rong Yu, En Ma
Summary: By employing deep-sub-angstrom-resolution electron ptychography, individual oxygen atoms in a highly concentrated body-centered-cubic solid solution (TiNbZr)(86)O12C1N1 medium-entropy alloy (MEA) were directly observed, revealing the interstitial sites where the oxygen atoms are located. In addition, it was shown for the first time that at high oxygen concentrations, oxygen atoms preferentially occupy the unusual tetrahedral sites. This shift away from octahedral occupancy can be explained by the extra strain energy cost when the necessary displacement of host atoms is hindered in the presence of nearby octahedral interstitials.
ADVANCED MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Yanwei Cui, Qinqing Zhu, Guorui Xiao, Wuzhang Yang, Yabin Liu, Guang-Han Cao, Zhi Ren
Summary: Introducing carbon interstitials into high-entropy alloys (HEAs) is an effective way to enhance their properties. This study reveals the structural, mechanical, and physical properties of carbon interstitial refractory HEAs with a body-centered-cubic (bcc) structure, showing changes in phase composition and lattice expansion with increasing carbon content. Additionally, the enhancement of mixing entropy caused by carbon addition plays a key role in stabilizing the single solid-solution phase.
SCIENCE CHINA-MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Xiyao Li, Qi Zeng, Jiangwei Wang
Summary: The non-planar core structure of screw dislocations in bcc metals strongly affects the twinning behavior, leading to the formation of minimum six-layer {112} planes as embryos and discrete three-layer thickening. By considering the energetically-stable three-layers zonal dislocation as a unit, the study explains the discrete twinning behavior in consistent with the classical twinning theory.
SCRIPTA MATERIALIA
(2022)
Article
Mechanics
Sandeep Kumar Singh, Avinash Parashar
Summary: This study investigates the crack tip behavior in multi-elemental alloys, finding that medium and high entropy alloys exhibit higher fracture resistance and plasticity, which could enhance their diverse structural applications.
ENGINEERING FRACTURE MECHANICS
(2021)
Article
Materials Science, Multidisciplinary
Xinwang Liu, Peng Liu, Weibin Zhang, Qiang Hu, Qiang Chen, Niu Gao, Zeli Tu, Zitian Fan, Gang Liu
Summary: The study investigates the microstructure evolution, phase constituents, and tensile properties of Mn-Fe-Co-Ni-Cu HEA system. The alloys exhibit good strengths, large elongations, and work hardening capability, primarily attributed to the precipitation strengthening by Cu-rich particles.
ADVANCED ENGINEERING MATERIALS
(2021)
Article
Mechanics
Yue Sheng, Hongda Yang, Wentao Ma, Xiaoyu Jiang
Summary: This article describes a dislocation emission model applicable to body-centered cubic (BCC) crystals with micro-scale grain size and discusses the critical conditions of dislocation emission, the behavior of dislocations at crack tips, and the influence of grain boundaries on dislocation emission and distribution.
ENGINEERING FRACTURE MECHANICS
(2023)
Article
Materials Science, Multidisciplinary
Xinran Zhou, Sicong He, Jaime Marian
Summary: Research on refractory multi-element alloys with body-centered cubic structure has shown that chemical energy fluctuations play a significant role in their strength at high temperatures, which cannot be explained by standard models. The formation of cross kinks and self-pinning have been identified as key contributors to the alloy's strength.
Article
Materials Science, Multidisciplinary
Sergei Starikov, Vahid Jamebozorgi, Daria Smirnova, Ralf Drautz, Matous Mrovec
Summary: Screw and edge dislocations in body-centered cubic transition metals exhibit distinct diffusion characteristics, with the migration along screw dislocations being faster due to their different atomic structures.
Article
Chemistry, Physical
Haitao Zhang, Chenglin Wang, Shuyan Shi, Tingju Li, Longjiang Zou, Yiping Lu, Peter K. Liaw
Summary: This study demonstrates for the first time the effect of interstitial boron and boron-rich precipitate on the deformation mechanisms of FCC high-entropy alloys. Introducing interstitial boron atoms can transform the dominant deformation mechanism from dislocation slip to deformation twins, while the formation of borides leads to a reversion to dislocation slip.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Nanoscience & Nanotechnology
Christian Brandl, In-Chul Choi, Ruth Schwaiger
Summary: The thermally activated plasticity of body-centered cubic (BCC) metals was investigated through high-temperature nanoindentation, revealing the change in slip plane as a result of dislocation kink pair formation with increasing temperature.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Aviral Vaid, Michael Zaiser, Erik Bitzek
Summary: This paper investigates the interaction of edge dislocations with voids in concentrated solid solution alloys using atomistic simulations. The results show that shorter dislocation lengths and the presence of voids increase the critical resolved shear stress for dislocation motion. The dislocation-void interaction follows an Orowan-like mechanism. Modifying the existing theoretical model allows for quantitative prediction of the critical resolved shear stress in the presence of voids and its dependency on void spacing.
Article
Materials Science, Multidisciplinary
Xinyi Wang, Francesco Maresca, Penghui Cao
Summary: This study constructs and reports the potential energy landscape governing screw dislocation motion in high-entropy alloys (HEAs). It reveals a hierarchical and multilevel structure, which retards dislocation movement and can be regulated by introducing chemical short-range order.
Article
Nanoscience & Nanotechnology
Rajeshwar R. Eleti, Nikita Stepanov, Nikita Yurchenko, Denis Klimenko, Sergey Zherebtsov
Summary: Investigated the plastic deformation and rate-controlling mechanism during tensile deformation of various body-centered cubic (BCC) medium/high-entropy alloys (MEAs/HEAs) at 300 K, revealing screw dislocation motion overcoming the Peierls-Nabarro stress barrier as the rate-controlling mechanism, with the activation volume (V*) found inversely proportional to the yield strength.
SCRIPTA MATERIALIA
(2021)
Article
Nanoscience & Nanotechnology
Anas Abu-Odeh, David L. Olmsted, Mark Asta
Summary: This study investigates the influence of short-range ordering (SRO) on screw dislocation mobility in Ni-10%Al alloy using molecular dynamics simulations. The results reveal that the onset of SRO leads to a change in the threshold stress and a decrease in damping in the linear regime of dislocation velocity and shear stress. The presence of a diffuse anti-phase boundary (DAPB) reduces the stress threshold for dislocation motion without significantly affecting the linear damping at the temperatures studied.
SCRIPTA MATERIALIA
(2022)
Article
Mechanics
J. van Beeck, F. Maresca, T. W. J. de Geus, P. J. G. Schreurs, M. G. D. Geers
EUROPEAN JOURNAL OF MECHANICS A-SOLIDS
(2016)
Article
Materials Science, Multidisciplinary
C. Du, F. Maresca, M. G. D. Geers, J. P. M. Hoefnagels
Article
Materials Science, Multidisciplinary
F. Maresca, V. G. Kouznetsova, M. G. D. Geers, W. A. Curtin
Article
Chemistry, Physical
Francesco Maresca, Daniele Dragoni, Gabor Csanyi, Nicola Marzari, William A. Curtin
NPJ COMPUTATIONAL MATERIALS
(2018)
Article
Materials Science, Multidisciplinary
Francesco Maresca, William A. Curtin
Article
Materials Science, Multidisciplinary
Francesco Maresca, William A. Curtin
Article
Materials Science, Multidisciplinary
Binglun Yin, Francesco Maresca, W. A. Curtin
Article
Materials Science, Multidisciplinary
L. Liu, F. Maresca, J. P. M. Hoefnagels, T. Vermeij, M. G. D. Geers, V. G. Kouznetsova
Summary: Martensite/ferrite (M/F) interface damage is crucial in controlling failure of dual-phase (DP) steels. The complex hierarchical structure of martensite induces heterogeneous and orientation-dependent plastic response, affecting the behavior of the M/F interface. By considering the substructure and morphology features, this study re-evaluates the M/F interface damage initiation mechanism, showing that substructure boundary sliding can trigger M/F interface damage and control the failure behavior of DP steels.
Article
Multidisciplinary Sciences
Chanho Lee, Francesco Maresca, Rui Feng, Yi Chou, T. Ungar, Michael Widom, Ke An, Jonathan D. Poplawsky, Yi-Chia Chou, Peter K. Liaw, W. A. Curtin
Summary: The study reveals that the high strength of some new high-entropy alloys based on refractory elements at high temperatures is mainly attributed to edge dislocations, rather than traditional screw dislocations. Researchers have used this insight to identify over 10^6 possible ultra-strong high-temperature alloy compositions for future exploration.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
L. La Rosa, F. Maresca
Summary: Recent research has found that atomistic simulations used in studying shape-memory alloys often fail to accurately reproduce the mechanism and microstructure of martensitic transformation, leading to significant deviations in predicting the shape-memory effect. Accurate selection and assessment of interatomic potentials is crucial for atomistic modeling of shape-memory alloys.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2022)
Article
Materials Science, Multidisciplinary
L. Liu, F. Maresca, J. P. M. Hoefnagels, M. G. D. Geers, V. G. Kouznetsova
Summary: A multi-scale model based on microphysics is developed to predict and assess the M/F interface damage in dual-phase steels. The model considers both macro and microstructural scales and determines an effective indicator for interface damage initiation based on microphysics. By conducting interface unit cell simulations, an effective model is identified, enabling efficient prediction of mesoscale M/F interface damage initiation.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2022)
Article
Nanoscience & Nanotechnology
L. Liu, F. Maresca, T. Vermeij, J. P. M. Hoefnagels, M. G. D. Geers, V. G. Kouznetsova
Summary: Through experimental and numerical studies, this research reveals the crucial role of substructure boundary sliding in M/F interface damage, and the strong correlation between low M/F strain partitioning and damage initiation.
SCRIPTA MATERIALIA
(2023)
Article
Materials Science, Multidisciplinary
Francesco Maresca, Efthymios Polatidis, Miroslav Smid, Helena Van Swygenhoven, William A. Curtin
Article
Materials Science, Multidisciplinary
F. Maresca, W. A. Curtin