Related papers: A computationally efficient implementation of cont…
Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…
Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which cannot be modeled using a single approach. We present a variety of new results…
We tackle the task of learning dynamic 3D semantic radiance fields given a single monocular video as input. Our learned semantic radiance field captures per-point semantics as well as color and geometric properties for a dynamic 3D scene,…
Using a Coarse-grained Molecular Dynamics (CMD) approach we study the apparent nonlinear dynamics of water molecules filling/emptying carbon nanotubes as a function of system parameters. Different levels of the pore hydrophobicity give rise…
Dislocations are topological defects known to be crucial in the onset of plasticity and in many properties of crystals. Classical Elasticity still fails to fully explain their dynamics under extreme conditions of high strain gradients and…
We compare the accuracy of two cluster extensions of Dynamical Mean-Field Theory in describing d-wave superconductors, using as a reference model a saddle-point t-J model which can be solved exactly in the thermodynamic limit and at the…
The use of Nye's dislocation tensor for calculating the density of geometrically necessary dislocations (GND) is widely adopted in the study of plastically deformed materials. The curl operation involved in finding the Nye tensor, while…
The development and application of the Discontinuous Galerkin (DG) method have attracted great attention in computational fluid dynamics (CFD) com- munity in the past decades. The underlying reason for such an intensive investigation is due…
Starting from a prototypical model of elasto-plasticity in the small-strain and quasi-static setting, where the evolution of the plastic distortion is driven exclusively by the motion of discrete dislocations, this work performs a rigorous…
We develop a theory to represent dislocated single crystals at the mesoscopic scale by considering concentrated effects, governed by the distribution theory combined with multiple-valued kinematic fields. Our approach gives a new…
The glass transition of a hard sphere system is investigated within the framework of the density functional theory (DFT). Molecular dynamics (MD) simulations are performed to study dynamical behavior of the system on the one hand and to…
Deterministic lateral displacement (DLD) is a high-resolution separation technique used in various fields. A fundamental challenge in DLD is ensuring uniform flow characteristics across channel, particularly near sidewalls where pillar…
We discuss the dynamics of the universe within the framework of Massive Graviton Dark Matter scenario (MGCDM) in which gravitons are geometrically treated as massive particles. In this modified gravity theory, the main effect of the…
A continuum density-field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but…
The phase-field crystal model in its amplitude equation approximation is shown to provide an accurate description of the deformation field in defected crystalline structures, as well as of dislocation motion. We analyze in detail the…
When metals are plastically deformed, the total density of dislocations increases with strain as the microstructure is continuously refined, leading to the strain hardening behavior. Here we report the fundamental role played by the…
With decreasing system sizes, the mechanical properties and dominant deformation mechanisms of metals change. For larger scales, bulk behavior is observed that is characterized by a preservation and significant increase of dislocation…
Discrete models of dislocations in cubic crystal lattices having one or two atoms per unit cell are proposed. These models have the standard linear anisotropic elasticity as their continuum limit and their main ingredients are the elastic…
Quantifying degrees of fusion and separability between data groups in representation space is a fundamental problem in representation learning, particularly under domain shift. A meaningful metric should capture fusion-altering factors like…
Dislocation-density-based crystal plasticity (CP) models are introduced to account for the microstructural changes throughout the deformation process, enabling more quantitative predictions of the deformation process compared to slip-system…