Related papers: Quantitative Phase Field Model for Electrochemical…
We derive a phase field crystal model that couples the diffusive evolution of a microscopic structure with the fast dynamics of a macroscopic velocity field, explicitly accounting for the relaxation of elastic excitations. This model…
We introduce a novel hybrid algorithm to simulate the real-time evolution of quantum systems using parameterized quantum circuits. The method, named "projected - Variational Quantum Dynamics" (p-VQD) realizes an iterative, global projection…
Guided by previous non-perturbative lattice simulations of a two-step electroweak phase transition, we reformulate the perturbative analysis of equilibrium thermodynamics for generic cosmological phase transitions in terms of effective…
Phase separation has emerged as an essential concept for the spatial organization inside biological cells. However, despite the clear relevance to virtually all physiological functions, we understand surprisingly little about what phases…
Mechanistic growth models play a major role in bioprocess engineering, design, and control. Their reasonable predictive power and their high level of interpretability make them an essential tool for computer aided engineering methods.…
We present a phase field model for vesicle growth or shrinkage induced by an osmotic pressure due to a chemical potential gradient. The model consists of an Allen-Cahn equation describing the evolution of phase field and a Cahn-Hilliard…
Understanding electrochemical interfaces at a microscopic level is essential for elucidating important electrochemical processes in electrocatalysis, batteries and corrosion. While \textit{ab initio} simulations have provided valuable…
Numerical models of biomass particle pyrolysis focus on either the solid particle evolution or on the surrounding gas-phase dynamics, neglecting the coupled interactions between the two. This work addresses this limitation by proposing a…
This paper represents a model for microstructure formation in metallic foams based on the multi-phase-field (MPF) approach. By the use of a no-coalescence boundary condition within this MPF-framework, it is possible to completely prevent…
Fluid dynamics plays a crucial role in various multiphysics applications, including energy systems, electronics cooling, and biomedical engineering. Developing models for complex coupled systems can be challenging and time-consuming. In…
A variational phase space is constructed for a system of fields on Euclidean space with periodic boundary conditions. An extended action functional is defined such that the Euler-Lagrange equations generate a symplectic flow on the…
The QCD phase diagram in the temperature versus quark chemical potential plane is studied in the presence of a magnetic field, using the linear sigma model coupled to quarks. It is shown that the decrease of the couplings with increasing…
We construct a new phase-field model for the solvation of charged molecules with a variational implicit solvent. Our phase-field free-energy functional includes the surface energy, solute-solvent van der Waals dispersion energy, and…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
Nuclear matter at finite temperature and barion density exhibits several phase transitions that could happen at the early stages of the Universe evolution and could be realized in heavy-ion or hadron-hadron collisions. Microscopic…
A quantum many-body system undergoes phase transitions of distinct species with variations of local and global parameters. We propose a framework in which a dynamical quantity can change its behavior for quenches across global…
Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from…
The present manuscript gives a theoretical description of the first-order phase transition in a cell fluid model with a modified Morse potential and additional repulsive interaction. In the framework of the grand canonical ensemble, the…
Fundamental differences between materials originate from the unique nature of their constituent chemical elements. Before specific differences emerge according to the precise ratios of elements in a given crystal structure, a material can…
The electrostatic modeling of conductors is a fundamental challenge in various applications, including the prediction of parasitic effects in electrical interconnects, the design of biasing networks, and the modeling of biological,…