Article
Materials Science, Multidisciplinary
Xue-Chun Zhang, Shuo Cao, Rui Yang, Qing-Miao Hu
Summary: The Peierls stress of FCC structures calculated using the PN model is highly sensitive to various input parameters, such as shear modulus, Poisson's ratio, and generalized stacking fault energy. This sensitivity leads to significant oscillations in the predicted Peierls stress. In this study, we propose a modified model that alleviates the sensitivity of the Peierls stress on the input parameters, resulting in better agreement with experimental values.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Tengfei Xu, Zhaorui Liu, Dominik Legut, Ruifeng Zhang
Summary: The crystal structure of BC2N has been a topic of debate, but through evaluating the x-ray diffraction pattern, the (111) BC2N2x2 superlattice has been identified as the realistic structure. The strain-induced oscillations dominate the slip systems of R2u-BC2N, leading to its ultralow dislocation slip resistance. The extreme hardness of experimentally synthesized BC2N is attributed to nanocrystalline grains glued by interfacial amorphous carbon.
Article
Physics, Applied
Shaofeng Wang
Summary: An improved theoretical self-consistent method is presented for studying the heterojunction, which treats the period in the gamma-energy function as a parameter to be determined in a self-consistent way. Applied to the AlN/BN heterojunction, the period determined from the minimum-energy principle is found to be very close to the previously given value.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Nanoscience & Nanotechnology
Duoduo Yang, Bing Chen, Suzhi Li, Xiangdong Ding, Jun Sun
Summary: In this study, the effect of local lattice distortion on the core structure of edge dislocation in NbMoTaW MPEAs and the subsystems was investigated using atomistic simulations. The results showed that the magnitude of lattice distortion was strongly dependent on the constituent elements and their concentrations. The core width of the dislocation decreased exponentially with increasing lattice distortion, and the critical shear stress for dislocation motion normalized by shear modulus exhibited a linear increase with lattice distortion. These findings provide insights into the contribution of edge dislocation to strength in refractory compositional complex alloys.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
V. Lamelas, L. Tian, M. Bonvalet-Rolland, M. Walbruhl, R. Lizarraga, A. Borgenstam
Summary: This study investigates the atomic-scale mechanisms of plastic deformation and their impact on the macro-scale softening of cemented carbides. A model is proposed using the generalized stacking fault energy to predict the hardness variation across temperature ranges. The results provide insights into the intrinsic mechanisms governing deformation and identify energetically favorable slip systems.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Physics, Multidisciplinary
Tengfei Xu, Shihao Zhang, Dominik Legut, Stan Veprek, Ruifeng Zhang
Summary: This study comprehensively investigates the mechanical properties of diamond, cubic boron nitride, silicon, and germanium under high pressure and reveals that all these materials exhibit pressure-enhanced ductility. The differences in the pressure-induced mechanical softening/weakening between these materials are attributed to their abnormal charge-depletion evolution under applied strain and the reduction of antibonding states below the Fermi level.
CHINESE PHYSICS LETTERS
(2021)
Article
Multidisciplinary Sciences
Brook J. Hocking, Helen S. Ansell, Randall D. Kamien, Thomas Machon
Summary: By analyzing the topology of the ground state manifolds (GSMs) of density wave systems, it has been found that dislocations split into disclinations, and these disclinations are constrained to sit at specific phase values, resulting in an energy barrier to dislocation glide.
PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2022)
Article
Engineering, Multidisciplinary
K. Mikes, F. Bormann, O. Rokos, R. H. J. Peerlings
Summary: The text discusses two different modeling approaches for understanding local defects in engineering materials: fully-resolved discrete systems and homogenized continuum formulations with specific enrichments. A comparison is made in terms of theory, accuracy, and performance, demonstrating capabilities and limitations of both methods. While continuum models with embedded cohesive zones offer good performance to accuracy ratios, they might not capture unexpected complex mechanical behavior. The Quasicontinuum method, on the other hand, provides more flexibility and higher accuracy with a slightly higher computational cost.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Sri Sadgun R. Pulagam, Amlan Dutta
Summary: Metals with fcc structure can exhibit deformation twinning, which is a complex phenomenon that occurs through the activities of twinning partial dislocations. However, the fundamental properties of these dislocations are not well understood, hindering the development of detailed multiscale plasticity models for fcc metals. In this study, atomistically informed numerical modeling is used to explore the core structures and lattice friction of twinning partials. The results highlight the importance of incorporating correction terms for accurately estimating the intrinsic lattice resistance of the twinning partials.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Xiangsheng Hu, Minsheng Huang, Zhenhuan Li
Summary: The study focuses on the ordinary 1/2 < 1<(1)over bar> 0]{111} screw dislocation in L1(0) alloys, revealing its nonplanar core structure and the change in stress field under increasing applied stress. The improved P-N model accurately predicts the Peierls stress and provides more accurate results compared to the original model.
Article
Materials Science, Multidisciplinary
Sri Sadgun R. Pulagam, Amlan Dutta
Summary: The scheme of meta-atom interatomic interaction has been proposed as a simple alternative for complex potentials in multi-component alloys, however, its effectiveness in revealing the structural features of individual line defects in the real system remains to be explored. The study analyzes the core structures of dissociated and twinning dislocations in TWIP steel using the meta-atom force-field and variational Peierls-Nabarro model, revealing the limitations of the meta-atom model in accurately representing the statistical variations and spatial fluctuation of dislocation cores and negative Escaig shear stress.
MECHANICS OF MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Zongrui Pei
Summary: This paper first reviews the recent progress in forces and stresses used in dislocation modeling, focusing on the Kanzaki and restoring stresses for dislocations. Then, the relationship between these force/stress quantities, their accuracy and the locality assumption of the restoring stress used to describe atom interactions across slip planes are discussed. The results show that some stress quantities are more accurate than others, and it is possible to choose suitable quantities to improve existing models. Common features of dislocation models constructed based on these stress terms are also analyzed. Additionally, opportunities for new dislocation models in a general framework are discussed.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Mathematics, Applied
Yahong Yang, Tao Luo, Yang Xiang
Summary: In this paper, we prove the convergence from the atomistic model to the Peierls-Nabarro (PN) model of a two-dimensional bilayer system with complex lattice. We suggest an effective approximation method for the energy due to atomistic interactions in different groups of atoms on the complex lattice.
COMMUNICATIONS IN MATHEMATICAL SCIENCES
(2022)
Article
Engineering, Mechanical
Liu Yang, Jiaqi Li, Deguo Wang, Yanbao Guo, Qingyang Li, Wei Li, Renbo Xu, D. L. Chen, D. Y. Li
Summary: Coiled tubing (CT) steels with similar microstructures can exhibit significant differences in mechanical and tribological properties. Electron work function (EWF) analysis suggests that minor elements in the steels may play a crucial role in strengthening local atomic bonding, thereby influencing the properties of CT steels. EWF shows promise as an indicator to supplement conventional techniques for understanding material behavior and identifying key factors for material design or tailoring.
Article
Materials Science, Multidisciplinary
Martin Negyesi, Veronika Zakova, Vratislav Mares, Bohumir Strnadel, Valery Lacroix, Min-Jae Choi, Dongil Kwon
Summary: This study assesses the tensile properties of the nozzle to primary piping safe-end using instrumented indentation testing (IIT). Standard tensile tests and conventional hardness tests were performed to validate the results of IIT and estimate tensile properties, respectively. The results showed that IIT provided satisfactory agreement with the standard tensile tests and superior values compared to the hardness measurement. It was found that the highest deviation between IIT and tensile tests occurred in the weldment regions, and IIT was capable of measuring the variation of tensile properties across the pressure vessel nozzle to primary piping safe-end, providing more detailed distribution of mechanical properties without the need for specimen extraction.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Guomin Hua, Hojat Ahmadi, Meisam Nouri, Dongyang Li
MATERIALS CHEMISTRY AND PHYSICS
(2015)
Article
Multidisciplinary Sciences
Sareh Mosleh-Shirazi, Guomin Hua, Farshad Akhlaghi, Xianguo Yan, Dongyang Li
SCIENTIFIC REPORTS
(2015)
Article
Nanoscience & Nanotechnology
Jian Wang, Hao Lu, Bin Yu, Rongfeng Wang, Guomin Hua, Xianguo Yan, Leo Parent, Harry Tian, Reinaldo Chung, Dongyang Li
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2016)
Article
Chemistry, Physical
Guomin Hua, Dongyang Li
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2016)
Article
Materials Science, Multidisciplinary
Hao Lu, Chenxin Ouyang, Xianguo Yan, Jian Wang, Guomin Hua, Reinaldo Chung, D. Y. Li
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2017)
Article
Materials Science, Ceramics
Guomin Hua, Jin Zhong, Yang Qi, Xiaonong Cheng
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2018)
Article
Materials Science, Multidisciplinary
Jing Zhong, Guomin Hua, Linbo Chen, Changsheng Li, Jianhong Yang, Xiaonong Cheng
MATERIALS RESEARCH EXPRESS
(2018)
Article
Physics, Applied
Hao Lu, Guomin Hua, Dongyang Li
APPLIED PHYSICS LETTERS
(2013)
Article
Chemistry, Physical
Yue Tian, Guomin Hua, Wei Xu, Nian Li, Ming Fang, Lide Zhang
JOURNAL OF ALLOYS AND COMPOUNDS
(2011)
Article
Chemistry, Physical
Guomin Hua, Lide Zhang, Guangtao Fei, Ming Fang
JOURNAL OF MATERIALS CHEMISTRY
(2012)
Article
Chemistry, Applied
Tong Wang, Lide Zhang, Junxi Zhang, Guomin Hua
MICROPOROUS AND MESOPOROUS MATERIALS
(2013)
Article
Chemistry, Physical
Guomin Hua, Linbo Chen, Jianhong Yang, Yang Qi, Xinglong Dong, Dongyang Li, Shuai Zhang, Xiaonong Cheng
JOURNAL OF ALLOYS AND COMPOUNDS
(2019)
Article
Chemistry, Multidisciplinary
Dong Zhang, Hongquan Gao, Guomin Hua, Haitao Zhou, Jianchun Wu, Bowei Zhu, Chao Liu, Jianhong Yang, De Chen
FRONTIERS IN CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Guomin Hua, Dongyang Li
