Related papers: Automatic Refinement of Force Fields Based on Phas…
Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…
Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions has been systematized using phase diagrams. We show here that the same…
In the discretization of differential problems on complex geometrical domains, discretization methods based on polygonal and polyhedral elements are powerful tools. Adaptive mesh refinement for such kind of problems is very useful as well…
We present a deep reinforcement learning-based artificial intelligence agent that could provide optimized development plans given a basic description of the reservoir and rock/fluid properties with minimal computational cost. This…
Nested sampling is a promising method for calculating phase diagrams of materials, however, the computational cost limits its applicability if ab-initio accuracy is required. In the present work, we report on the efficient use of a…
In this paper the development of a physically consistent phase-field theory of solidification shrinkage is presented. The coarse-grained hydrodynamic equations are derived directly from the N-body Hamiltonian equations in the framework of…
We develop a method for modeling and simulating a class of two-phase flows consisting of two immiscible incompressible dielectric fluids and their interactions with imposed external electric fields in two and three dimensions. We first…
Realistic two-phase flow problems of interest often involve high $Re$ flows with high density ratios. Accurate and robust simulation of such problems requires special treatments. In this work, we present a consistent, energy-conserving…
Nonequilibrium, ``fast switching'' estimates of equilibrium free energy differences, Delta F, are often plagued by poor convergence due to dissipation. We propose a method to improve these estimates by generating trajectories with reduced…
To model mechanically-driven phase transformations using the phase-field theory, suitable models are needed for describing the mechanical fields related to individual phase-fields in the interfacial regions. They play a crucial role in…
Computing stationary states is an important topic for phase field crystal (PFC) models. Great efforts have been made for energy dissipation of the numerical schemes when using gradient flows. However, it is always time-consuming due to the…
Automating the creation of scientific diagrams from academic papers can significantly streamline the development of tutorials, presentations, and posters, thereby saving time and accelerating the process. Current text-to-image models…
Equations governing the nonlinear dynamics of complex systems are usually unknown and indirect methods are used to reconstruct their manifolds. In turn, they depend on embedding parameters requiring other methods and long temporal sequences…
Phase field simulations play a key role in the understanding of microstructure evolution in additive manufacturing. However, they have been found extremely computationally expensive. One of the reasons is the small time step requirement to…
Phase-field methods have long been used to model the flow of immiscible fluids. Their ability to naturally capture interface topological changes is widely recognized, but their accuracy in simulating flows of real fluids in practical…
Iterative phase retrieval algorithms typically employ projections onto constraint subspaces to recover the unknown phases in the Fourier transform of an image, or, in the case of x-ray crystallography, the electron density of a molecule.…
The multi-scale and non-linear nature of phase-field models of solidification requires fine spatial and temporal discretization, leading to long computation times. This could be overcome with artificial-intelligence approaches. Surrogate…
Existing methods for image alignment struggle in cases involving feature-sparse regions, extreme scale and field-of-view differences, and large deformations, often resulting in suboptimal accuracy. Robustness to these challenges can be…
Recent work has made significant progress in helping users to automate single data preparation steps, such as string-transformations and table-manipulation operators (e.g., Join, GroupBy, Pivot, etc.). We in this work propose to automate…
We characterize both analytically and numerically short-range forces between spatially diffuse interfaces in multi-phase-field models of polycrystalline materials. During late-stage solidification, crystal-melt interfaces may attract or…