相关论文: Modeling Metallic Microstructure Using Moving Fini…

Materials with tailored quantum properties can be engineered from atomic scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here we…

Semiconductor artificial graphene nanostructures where Hubbard model parameter $U/t$ can be of the order of 100, provide a highly controllable platform to study strongly correlated quantum many-particle phases. We use accurate variational…

A novel general purpose Finite Element framework is presented to study small-scale metal plasticity. A distinct feature of the adopted distortion gradient plasticity formulation, with respect to strain gradient plasticity theories, is the…

We propose an analytical model to describe the mechanical deformation of single-crystal diamond following the local sub-superficial graphitization obtained by laser beams or MeV ion microbeam implantation. In this case, a local mass-density…

Edge structures are highly relevant to the electronic, magnetic and catalytic properties of two-dimensional (2D) transition metal dichalcogenides (TMDs) and their one dimensional (1D) counterpart, i.e., nanoribbons, which should be…

Graphene is an emerging class of two-dimensional (2D) material with unique electrical properties and a wide range of potential practical applications. In addition, graphene hybrid structures combined with other 2D materials, metal…

This paper presents a novel mass-conservative mixed multiscale method for solving flow equations in heterogeneous porous media. The media properties (the permeability) contain multiple scales and high contrast. The proposed method solves…

Magnetic moments near zigzag edges in graphene allow complex nanostructures with customised spin properties to be realised. However, computational costs restrict theoretical investigations to small or perfectly periodic structures. Here we…

The ability to use external magnetic fields to influence the microstructure in polycrystalline materials has potential applications in microstructural engineering. To explore this potential and to understand the complex interactions between…

Single-phase Mg-doped ZnFe$_2$O$_4$ nanoparticles with x= 0, 0.3, 0.5, 0.7 have been prepared by the glycol-thermal method without any subsequent calcination. The crystallite size, microstructure and magnetic properties of the prepared…

In this paper, a cell based smoothed finite element method with discrete shear gap technique is employed to study the static bending, free vibration, mechanical and thermal buckling behaviour of functionally graded material (FGM) plates.…

We investigate the formation of stress hotspots in polycrystalline materials under uniaxial tensile deformation by integrating full field crystal plasticity based deformation models and machine learning techniques to gain data driven…

The Material Point Method (MPM) is a hybrid Eulerian Lagrangian simulation technique for solid mechanics with significant deformation. Structured background grids are commonly employed in the standard MPM, but they may give rise to several…

We develop a family of expanded mixed Multiscale Finite Element Methods (MsFEMs) and their hybridizations for second-order elliptic equations. This formulation expands the standard mixed Multiscale Finite Element formulation in the sense…

Additive manufacturing (AM) allows printing parts of complex geometries that cannot be produced by standard technologies. Besides, AM provides the possibility to create gradient materials with different structural and physical properties.…

A fundamental challenge in materials science pertains to elucidating the relationship between stoichiometry, stability, structure, and property. Recent advances have shown that machine learning can be used to learn such relationships,…

A simple model for the solidification of globular grains in metallic alloys is presented. Based on the Voronoi diagram of the nuclei centers, it accounts for the curvature of the grains near triple junctions. The predictions of this model…

We present the design and implementation details of a geometric multigrid method on adaptively refined meshes for massively parallel computations. The method uses local smoothing on the refined part of the mesh. Partitioning is achieved by…

This article presents GRFsaw, an open-source software for generating two-phase (binary) microstructures with user-defined structural properties. Unlike most standard software for microstructure generation, GRFsaw is based on the concept of…

This work surveys an r-adaptive moving mesh finite element method for the numerical solution of premixed laminar flame problems. Since the model of chemically reacting flow involves many different modes with diverse length scales, the…