Materials Theory
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Cell structure formation in a two-dimensional density-based dislocation dynamics model
Materials Theory - Tập 5 - Trang 1-22 - 2021
Cellular patterns formed by self-organization of dislocations are a most conspicuous feature of dislocation microstructure evolution during plastic deformation. To elucidate the physical mechanisms underlying dislocation cell structure formation, we use a minimal model for the evolution of dislocation densities under load. By considering only two slip systems in a plane strain setting, we arrive a...... hiện toàn bộ
Probing the transition from dislocation jamming to pinning by machine learning
Materials Theory - - 2020
Collective motion of dislocations is governed by the obstacles they encounter. In pure crystals, dislocations form complex structures as they become jammed by their anisotropic shear stress fields. On the other hand, introducing disorder to the crystal causes dislocations to pin to these impeding elements and, thus, leads to a competition between dislocation-dislocation and dislocation-disorder in...... hiện toàn bộ
Slip-free multiplication and complexity of dislocation networks in FCC metals
Materials Theory - Tập 5 - Trang 1-24 - 2021
During plastic deformation of crystalline solids, intricate networks of dislocation lines form and evolve. To capture dislocation density evolution, prominent theories of crystal plasticity assume that 1) multiplication is driven by slip in active slip systems and 2) pair-wise slip system interactions dominate network evolution. In this work, we analyze a massive database of over 100 discrete disl...... hiện toàn bộ
#Characterization and Evaluation of Materials #Condensed Matter Physics #Physical Chemistry #Materials Engineering
Pinning of dislocations in disordered alloys: effects of dislocation orientation
Materials Theory - Tập 6 - Trang 1-13 - 2022
The current interest in compositionally complex alloys including so called high entropy alloys has caused renewed interest in the general problem of solute hardening. It has been suggested that this problem can be addressed by treating the alloy as an effective medium containing a random distribution of dilatation and compression centers representing the volumetric misfit of atoms of different spe...... hiện toàn bộ
Overdamped langevin dynamics simulations of grain boundary motion
Materials Theory - - 2019
Macroscopic properties of structural materials are strongly dependent on their microstructure. However, the modeling of their evolution is a complex task because of the mechanisms involved such as plasticity, recrystallization, and phase transformations, which are common processes taking place in metallic alloys. This complexity led to a growing interest in atomistic simulations formulated without...... hiện toàn bộ
Phase field simulations of FCC to BCC phase transformation in (Al)CrFeNi medium entropy alloys
Materials Theory - Tập 6 - Trang 1-24 - 2022
Microstructure simulations for quaternary alloys are still a challenge, although it is of high importance for alloy development. This work presents a Phase field (PF) approach capable of resolving phase transformation in a multicomponent system with a simple and effective way to include the thermodynamic and kinetic information for such a complex system. The microstructure evolution during diffusi...... hiện toàn bộ
Mixed-mode growth of a multicomponent precipitate in the quasi-steady state regime
Materials Theory - Tập 2 - Trang 1-14 - 2018
An exact analytical solution of the Fick’s second law was developed and applied to the mixed-mode growth of a multicomponent ellipsoidal precipitate growing with constant eccentricities in the quasi-stationary regime. The solution is exact if the nominal composition, equilibrium concentrations and material properties are assumed constant, and can be applied to compounds having no limitations in th...... hiện toàn bộ
Prospects of quantum computing for molecular sciencesAbstract Molecular science is governed by the dynamics of electrons and atomic nuclei, and by their interactions with electromagnetic fields. A faithful physicochemical understanding of these processes is crucial for the design and synthesis of chemicals and materials of value for our society and economy. Although some problems in this field can be adequately addres... ... hiện toàn bộ
Materials Theory - Tập 6 Số 1
An analysis of two classes of phase field models for void growth and coarsening in irradiated crystalline solids
Materials Theory - Tập 2 - Trang 1-36 - 2018
A formal asymptotic analysis of two classes of phase field models for void growth and coarsening in irradiated solids has been performed to assess their sharp-interface kinetics. It was found that the sharp interface limit of type B models, which include only point defect concentrations as order parameters governed by Cahn-Hilliard equations, captures diffusion-controlled kinetics. It was also fou...... hiện toàn bộ
Tính toán ứng suất bề mặt cho các hạt nano và lỗ rỗng trong nhôm, silicon và sắt: ảnh hưởng của áp suất và tính hợp lệ của phương trình Young-Laplace Dịch bởi AI
Materials Theory - Tập 5 - Trang 1-18 - 2021
Nghiên cứu này được dành riêng cho việc xác định năng lượng bề mặt và ứng suất của hạt nano và lỗ rỗng trong sự hiện diện của áp suất, và để đánh giá độ chính xác của phương trình Young-Laplace cho các hệ thống này. Các quy trình được đề xuất để trích xuất các đại lượng đó từ các tính toán tiềm năng liên nguyên tử cổ điển, được thực hiện cho ba vật liệu khác nhau: nhôm, silicon và sắt. Các cuộc đi...... hiện toàn bộ
#ứng suất bề mặt #hạt nano #lỗ rỗng #nhôm #silicon #sắt #phương trình Young-Laplace #năng lượng bề mặt #áp suất
Tổng số: 38
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