Article
Materials Science, Multidisciplinary
Huhu Su, Xinzhe Zhou, Mengmeng Zhang, Shijian Zheng, Hengqiang Ye, Zhiqing Yang
Summary: In this study, reactions of {10 (1) over bar1} twin boundaries (TBs) with slip dislocations in a Mg alloy were investigated and modeled based on atomic-resolution observations and interfacial defect theory. The reactions were found to produce asymmetric tilt grain boundaries and various types of residual dislocations, leading to modifications in local atomic structures of steps at {10 (1) over bar1} TBs. These experimental results provide insights for understanding the plastic relaxation mechanisms at {10 (1) over bar1} TBs.
Article
Engineering, Mechanical
Eui-Kyun Park, Gyo-Geun Youn, Yun-Jae Kim, Robert A. Ainsworth
Summary: This work quantifies the effect of material ductility on notch fracture resistance using FE damage analysis, revealing a linear relationship between notch fracture resistance, notch radius, and material ductility. The results provide useful insights for estimating notch fracture resistance based on material ductility and J-resistance curves obtained from cracked specimens.
THEORETICAL AND APPLIED FRACTURE MECHANICS
(2021)
Article
Nanoscience & Nanotechnology
Liqun Guan, Yunlai Deng, An Luo, Xiaobin Guo, Changping Tang
Summary: By adding low-cost Si to Mg-8Gd-4Y-1Nd alloys, the ductility of the alloy can be improved. The addition of Si promotes the random orientation of grain structures and activates pyramidal dislocation during deformation, leading to better ductility in tensile deformation.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Materials Science, Multidisciplinary
Youran Hong, Han Wang, Xing Li, Li Zhong, Hangman Chen, Ze Zhang, Penghui Cao, Robert O. Ritchie, Jiangwei Wang
Summary: Monatomic tantalum metallic glass nanowires, tailored by electropulsing, exhibit a wide range of deformability, either as liquid-like flow or brittle fracture. The plasticity and deformation transition of monatomic metallic glasses are dominated by inherent structural heterogeneity on the atomic level. The dispersive and sparse distribution of local order is associated with necking, while the percolation of medium-range order constrains the deformability and results in brittle failure. This work provides insights into the structure-property relationships in metallic glasses and has implications for the design of nanoscale metallic glasses with tunable mechanical properties.
Article
Materials Science, Multidisciplinary
Amit Misra, Mathias Goeken, Nathan A. Mara, Irene J. Beyerlein
Summary: The strength and plasticity of metallic composites are influenced by hierarchical architectures with multiple phases, nanoscale features enhancing yield strength and microstructure hierarchy increasing strain hardening. The interfaces in metallic laminates can impede crack growth and enhance plasticity, while the constraint from geometrically necessary dislocations can lead to enhanced strain hardening in these materials.
Article
Chemistry, Physical
Bruce Lim, Ewen Bellec, Maxime Dupraz, Steven Leake, Andrea Resta, Alessandro Coati, Michael Sprung, Ehud Almog, Eugen Rabkin, Tobias Schulli, Marie-Ingrid Richard
Summary: Coherent diffraction imaging allows imaging of individual defects in materials, but identifying these defects remains a challenge and requires significant data mining. A computational tool based on a 3D atomistic model and convolutional neural network was utilized to predict dislocations in crystals, paving the way for defect recognition in 3D coherent diffraction patterns in materials science.
NPJ COMPUTATIONAL MATERIALS
(2021)
Article
Engineering, Mechanical
Han Chen, Zhe Chen, Gang Ji, Shengyi Zhong, Haowei Wang, Andras Borbely, Yubin Ke, Yves Brechet
Summary: The study investigated the effects of precipitation on ductility in precipitation hardening aluminium alloys. The results showed that the ductility decreases when shearable precipitates occur, and increases with shearable precipitates being replaced by nonshearable precipitates. The variation in ductility is mainly controlled by the dynamic recovery rate of the dislocations.
INTERNATIONAL JOURNAL OF PLASTICITY
(2021)
Article
Materials Science, Multidisciplinary
Yajie Ma, Chuming Liu, Shunong Jiang, Yingchun Wan, Yonghao Gao, Zhiyong Chen, Zuming Liu
Summary: The common problem of low tensile yield strength in high ductility dilute-alloying Mg-RE alloys prepared by traditional hot extrusion is addressed in this work. By designing heterostructures in the microstructure of Mg alloys, a series of high ductility as-extruded Mg-Gd-Zn-Zr alloys were successfully prepared. Among them, the Mg-1.5Gd-0.5Zn-0.5Zr alloy exhibited a superior strength-ductility synergy, with high tensile yield strength and elongation.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Nanoscience & Nanotechnology
Rishabh Sharma, Camille M. Poulin, Marko Knezevic, Michael P. Miles, David T. Fullwood
Summary: Continuous bending under tension (CBT) process avoids strain localization, leading to higher elongation in materials. However, the exact contribution of CBT to the overall increase in elongation remains unclear and may be related to the material's structure and hardness.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Multidisciplinary Sciences
Jae Bok Seol, Won-Seok Ko, Seok Su Sohn, Min Young Na, Hye Jung Chang, Yoon-Uk Heo, Jung Gi Kim, Hyokyung Sung, Zhiming Li, Elena Pereloma, Hyoung Seop Kim
Summary: Unlike diffusion-mediated chemical short-range orders (SROs) in multi-principal element alloys, this study shows that strain-induced short-range orders can be formed by crystalline lattice defects upon external loading. Mechanical-derived short-range order (MSRO) in a Fe40Mn40Cr10Co10 alloy originates from tensile deformation at 77 K and has a minor contribution to yield strength, mechanical twinning, and deformation-induced displacive transformation.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Shuaipeng Qi, Hua Bao, Yongxing Shen
Summary: Laser shock peening (LSP) is an effective technology for improving fatigue life and resistance to foreign object damage in metals. However, it may cause spall fracture when applied to thin specimens. In this study, numerical simulations were conducted to investigate the spall fracture in Ti-17 alloy caused by LSP. The results demonstrate that the occurrence of spall fracture is influenced by the specimen thickness, peak pressure of the shock wave, and the number of shocks.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
X. Yuan, D. Sopu, J. Eckert
Summary: The local stress state in metallic glasses can be modulated without affecting their structure, leading to enhanced ductility and strain hardening during loading. The stress heterogeneity in metallic glasses results in shear band multiplication, ultimately enhancing their macroscopic ductility. Additionally, residual compressive stress significantly increases the strength of the glass and contributes to observed strain hardening.
Article
Chemistry, Physical
Chongze Hu, Douglas L. Medlin, Remi Dingreville
Summary: Twin boundaries play a crucial role in nanocrystalline metals, and an unusual segregation phenomenon at gold-doped platinum twin boundaries is mediated by the presence of disconnections, leading to an unexpected structural transition at the atomic scale induced by faulted disconnections.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Mohammed Mendas, Stephane Benayoun, Mohamed Hadj Miloud, Ibrahim Zidane
Summary: This study extends the analysis of the indentation size effect (ISE) to lamellar cast irons, demonstrating that the tensile model and the concept of geometrically necessary dislocations (GNDs) can be used to predict the ISE of the pearlitic matrix within these materials. The summation of stresses associated with GNDs and statistically stored dislocations (SSDs) is shown to be more adequate in the prediction of ISE compared to considering only one work-hardening stress.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Multidisciplinary Sciences
Kashif Hussain, Imran Muhammad, Wei Wu, Yu Qie, Tariq Mahmood, Qiang Sun
Summary: Metal atoms can regulate porosity in synthesis and porous structures can be obtained by removing metal atoms. The newly discovered 3D-B6C6 exhibits metallic properties and excellent ductility.
ADVANCED THEORY AND SIMULATIONS
(2021)
Article
Physics, Applied
Shu Huang, Christopher T. Karaba, Shreya K. Patel, Amirr Neal, Sarah H. Tolbert, Jaime Marian
Summary: In this work, the mechanical response of a multiferroic material consisting of a cobalt ferrite (CFO) nanostructure partially filled with lead zirconate titanate (PZT) was simulated and analyzed. It was found that the strain in the device showed a non-monotonic dependence on the thickness of the PZT coating, with the maximum strain achieved at a coating thickness of 3 nm. This behavior was attributed to the interplay between increased porosity and the electro-mechanical response of the structure driven by the larger mass fraction of PZT.
APPLIED PHYSICS LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Cameron McElfresh, Nicolas Bertin, Sylvie Aubry, Jaime Marian
Summary: Non-conservative processes are important in plasticity and can lead to various macroscopic phenomena. This study proposes a kinetic Monte Carlo approach to model vacancy transport under arbitrary stress fields and uses a parallel algorithm to investigate the evolution of non-conservative transport kinetics in dislocation-defect scenarios.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Arian Ghazari, Cameron McElfresh, Dylan Dickstein, Warren Nadvornick, Gerald Pintsuk, Egbert Wessel, Marius Wirtz, Don Hughes, Brian Williams, Jaime Marian, Nasr Ghoniem
Summary: This study investigates the effects of transient arc-jet plasma and laser heating on fracture behavior of W-foam and solid tungsten. The density and mean cell size of the foam are important parameters controlling its thermomechanical response. Experiments were conducted on tungsten foam samples fabricated with different PPI and relative density. The results show that both the foam and solid tungsten exhibit similar crack patterns and characteristic length scales under the same loading conditions. The crack opening displacement is larger in solid tungsten compared to W foam. Laser beam testing revealed micro-cracks formation in both low-density and high-density foams after a certain number of pulses. The thermomechanical damage in W-foam exposed to high-power laser pulses was found to be qualitatively similar to that of high-power arc-jet.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Multidisciplinary Sciences
Daniel Utt, Subin Lee, Yaolong Xing, Hyejin Jeong, Alexander Stukowski, Sang Ho Oh, Gerhard Dehm, Karsten Albe
Summary: By experiments and simulations, this study investigates the reasons for dislocation pinning in high-entropy alloys. The research finds that the critical stress required for dislocation glide is proportional to the density of high local Peierls friction.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Xinran Zhou, Sicong He, Jaime Marian
Summary: In this study, vacancy energetics in the equiatomic Nb-Mo-Ta-W alloy were investigated using molecular statics calculations. The results demonstrate a wide distribution of vacancy formation and migration energies, which are influenced by short-range order.
Article
Nanoscience & Nanotechnology
Marta Pozuelo, Jaime Marian
Summary: In this study, the direct link between the strength of micron-sized specimens of high-entropy alloys and deviations from equiatomic stoichiometry was established. The compositional fluctuations near the micropillar tip were found to be the best quantitative predictor of yield strength.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Larissa M. Woryk, Sicong He, Emily M. Hopkins, Chang-Yu Hung, Jian Han, David J. Srolovitz, Jaime Marian, Mitra L. Taheri
Summary: A numerical methodology is presented to compute the Nye-tensor fingerprints of dislocation loop absorption at grain boundaries (GBs) and compare them with TEM observations. This approach connects atomistic simulations with experimentally extracted GND maps to facilitate the interpretation of damage processes. The method provides a framework for future investigations of defect absorption by grain boundaries under irradiation conditions.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Cameron McElfresh, Nicolas Bertin, Sylvie Aubry, Jaime Marian
Summary: Recovery processes in high defect concentration metals play a crucial role in the usability of structural alloys in engineering applications. This study simulated the mechanism of dislocation loop coalescence in metals and discovered that climb processes are governed by local fluctuations and prismatic loops create internal traps for vacancies.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Sicong He, Xinran Zhou, Dan Mordehai, Jaime Marian
Summary: The refractory multi-element alloys (RMEA) with body-centered cubic (bcc) structure have attracted much attention as potential high-temperature materials. Recent research on Nb-Mo-Ta-W alloys suggests that the role of edge dislocations, caused by atomic-level chemical fluctuations, plays a key role in their remarkable strength above 1000℃. This study proposes a strengthening mechanism based on thermal super-jogs in edge dislocations, which act as strong obstacles to dislocation motion, and explains the strength plateau observed in these alloys.
Article
Materials Science, Multidisciplinary
Cameron McElfresh, Jaime Marian
Summary: Recrystallization of metallic materials is a crucial treatment for transforming cold-worked alloys into a usable state. However, little is known about the combined effects of temperature, cold working amount, triple junction mobility, and level of recovery in the deformed microstructure on recrystallization kinetics. In this study, a comprehensive physical model combining crystal plasticity and grain boundary kinetics is developed to investigate static recrystallization in polycrystalline iron. The model reveals that the initial texture, defined by grain orientation and size distribution, is the dominant factor controlling recrystallization kinetics. Additionally, the amount of post-deformation recovery only has a limited impact on the evolution of the recrystallized microstructure.
Article
Physics, Applied
Qianran Yu, Giacomo Po, Jaime Marian
Summary: In this paper, a comprehensive model for irradiation creep in iron under fusion reactor conditions is developed by merging a crystal plasticity representation of the dislocation microstructure and a defect evolution simulator that accounts for the entire cluster dimensionality space. The model allows for quantifiable predictions of creep deformation in first wall materials under standard fusion conditions.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Shu Huang, Ryan Kerr, Samuel Murphy, Mark R. Gilbert, Jaime Marian
Summary: A numerical model is presented to predict oxide scale growth on tungsten surfaces under exposure to oxygen at high temperatures, with simulations showing deviations from classical parabolic growth in certain cases. The model is parameterized using experimental measurements and electronic structure calculations, with a comparison to extensive experimental data showing reasonable agreement at most temperatures. This work attempts to embed the thermodynamic and kinetic complexity of tungsten oxide growth into a comprehensive mesoscale kinetic model to fill existing knowledge gaps and guide future tungsten oxidation models.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2022)
Article
Materials Science, Multidisciplinary
Asghar Aryanfar, Mounir El Skafi, Jaime Marian
Summary: This paper studies the problem of dendritic growth during battery charging, which can pierce through the polymer electrolyte and short-circuit the cell. The effect of force propagation on the geometry of a three-way intersection leading to the failure of a dendritic branch is explored. The mechanics of the intersection in relation to the respective inclinations of the branches and their normalized length is analyzed. Generalizing this method to larger clusters of dendritic trees helps identify the dominant failure mechanism and devise preventive methods.
MECHANICS OF MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Xinran Zhou, Xinyi Wang, Lauren Fey, Sicong He, Irene Beyerlein, Penghui Cao, Jaime Marian
Summary: The mechanical response of complex concentrated alloys deviates from that of pure metals and dilute alloys due to the introduction of chemical concentration dimension. Compositional fluctuations constantly alter the energy landscape over which dislocations move, leading to the appearance of defects and fundamentally changing the plastic deformation of CCAs. This article reviews recent advances in modeling dislocation glide processes in CCAs and discusses pathways to develop comprehensive simulation methodologies for improved design of CCAs with superior mechanical response.
Article
Nanoscience & Nanotechnology
Xinran Zhou, Sicong He, Jaime Marian
Summary: The Nb-Mo-Ta-W system, a model alloy of the refractory multi-principal element alloy family, exhibits exceptional mechanical properties at high temperature due to its highly twisted screw dislocations with a high concentration of kinks and cross-kinks. This study quantifies the contribution of the 'self-pinning' effect to the total strength using a kinetic Monte Carlo model, and reveals that the self-pinning stress remains even at high temperatures.
SCRIPTA MATERIALIA
(2023)