Related papers: Benchmarking of Massively Parallel Phase-Field Cod…
We present a phase field theory for binary crystal nucleation. In the one-component limit, quantitative agreement is achieved with computer simulations (Lennard-Jones system) and experiments (ice-water system) using model parameters…
Numerous full-field numerical methods exist concerning the digital description of polycrystalline materials and the modeling of their evolution during thermomechanical treatments. However, these strategies are globally dedicated to the…
Next-generation exascale machines with extreme levels of parallelism will provide massive computing resources for large scale numerical simulations of complex physical systems at unprecedented parameter ranges. However, novel numerical…
Fracton topological phases have a large number of materialized symmetries that enforce a rigid structure on their excitations. Remarkably, we find that the symmetries of a quantum error-correcting code based on a fracton phase enable us to…
As opposed to the distributed control of parabolic PDE's, very few contributions currently exist pertaining to the Dirichlet boundary condition control for parabolic PDE's. This motivates our interest in the Dirichlet boundary condition…
Dendrites are one of the most widely observed patterns in nature and occur across a wide spectrum of physical phenomena. In solidification and growth patterns in metals and crystals, the multi-level branching structures of dendrites pose a…
We show that a deep-learning neural network potential (DP) based on density functional theory (DFT) calculations can well describe Cu-Zr materials, an example of a binary alloy system that can coexist in several ordered intermetallics and…
The present paper describes the development of a novel and comprehensive computational framework to simulate solidification problems in materials processing, specifically casting processes. Heat transfer, solidification and fluid flow due…
The sedimentation process of granular materials exists ubiquitously in nature and many fields which involve the solid-liquid separation. This paper employs the coupled computational fluid dynamics and discrete element method (CFD-DEM) to…
The present paper describes a parallel unstructured-mesh Plasma simulation code based on Finite Volume method. The code dynamically refines and coarses mesh for accurate resolution of the different features regarding the electron density.…
In this paper, we investigate numerical methods for solving Nickel-based phase field system related to free energy, including the elastic energy and logarithmic type functionals. To address the challenge posed by the particular free energy…
FPGAs have become a popular choice for deploying deep learning architectures (DLA). There are many researchers that have explored the deployment and mapping of DLA on FPGA. However, there has been a growing need to do design-time…
We present the first set of benchmark problems for phase field models that are being developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST). While many scientific…
Hypergraph product codes are a class of constant-rate quantum low-density parity-check (LDPC) codes equipped with a linear-time decoder called small-set-flip (SSF). This decoder displays sub-optimal performance in practice and requires very…
The Solidity smart contract ecosystem has rapidly grown, leading to multiple compilers targeting different blockchain platforms or improving compilation efficiency. Although many compilers aim to be compatible with the primary Solidity…
Compositionally complex alloys or concentrated solid solutions are the latest frontier in catalyst design, but mixing different elements in one catalyst may result in surface segregation. Atomistic simulations can predict segregation…
Solidification, coupled with melt flow, plays a critical role in determining the microstructure and properties of materials in several manufacturing processes. Phase-field models coupled with the Navier-Stokes equations are widely used to…
Fast decoders that achieve strong error suppression are essential for fault-tolerant quantum computation (FTQC) from both practical and theoretical perspectives. The union-find (UF) decoder for the surface code is widely regarded as a…
We present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing…
Co-based superalloys in the Co-Al-W system exhibit coherent L12 Co3(Al,W) \gamma' precipitates in an fcc Co \gamma matrix, analogous to Ni3Al in Ni-based systems. Unlike Ni3Al however, experimental observations of Co3(Al,W) suggest that it…