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The accurate prediction of solid-solid structural phase transitions at finite temperature is a challenging task, since the dynamics is so slow that direct simulations of the phase transitions by first-principles (FP) methods are typically…

Materials Science · Physics 2021-05-25 Peitao Liu , Carla Verdi , Ferenc Karsai , Georg Kresse

Z-pinch platforms constitute a promising pathway to fusion energy research. Here, we present a one-dimensional numerical study of the staged Z-pinch (SZP) concept using the FLASH and MACH2 codes. We discuss the verification of the codes…

To study the coexistence of two liquid states of water within one simulation box, we implement an equilibrium sedimentation method--which involves applying a gravitational field to the system and measuring/calculating the resulting density…

Soft Condensed Matter · Physics 2009-11-07 M. Yamada , H. E. Stanley , F. Sciortino

We describe an efficient numerical method for simulating the dynamics and steady states of collective spin systems in the presence of dephasing and decay. The method is based on the Schwinger boson representation of spin operators and uses…

Quantum Physics · Physics 2021-05-18 Julian Huber , Peter Kirton , Peter Rabl

Discrete combinatorial optimization consists in finding the optimal configuration that minimizes a given discrete objective function. An interpretation of such a function as the energy of a classical system allows us to reduce the…

Quantum Physics · Physics 2015-06-22 Sergio Boixo , Gerardo Ortiz , Rolando Somma

We develop numerical methods for reaction-diffusion systems based on the equations of fluctuating hydrodynamics (FHD). While the FHD formulation is formally described by stochastic partial differential equations (SPDEs), it becomes similar…

Fluid Dynamics · Physics 2018-01-17 Changho Kim , Andy Nonaka , John B. Bell , Alejandro L. Garcia , Aleksandar Donev

Currently existing energy-stable parametric finite element methods for surface diffusion flow and other flows are usually limited to first-order accuracy in time. Designing a high-order algorithm for geometric flows that can also be…

Numerical Analysis · Mathematics 2024-07-15 Meng Li , Yihang Guo , Jingjiang Bi

Multiphase flows frequently occur in many important engineering and scientific applications, but modeling of such flows is a rather challenging task due to complex interfacial dynamics between different phases, let alone if the flow is…

Computational Physics · Physics 2018-03-06 Wandong Zhao , Ben Xu , Ying Zhang

An FFT-based algorithm is developed to simulate the propagation of elastic waves in heterogeneous $d$-dimensional rectangular shape domains. The method allows one to prescribe the displacement as a function of time in a subregion of the…

Numerical Analysis · Mathematics 2022-12-21 R. Sancho , V. Rey de Pedraza , P. Lafourcade , R. A. Lebensohn , J. Segurado

The phenomena of Squeezing and chaos have recently been studied in the context of inflation. We apply this formalism in the post-inflationary preheating phase. During this phase, inflaton field undergoes quasi-periodic oscillation, which…

High Energy Physics - Theory · Physics 2023-09-20 Ayan Chakraborty , Debaprasad Maity

Temperature stabilization of oil and gas wells is used to ensure stability and prevent deformation of a subgrade estuary zone. In this work, we consider the numerical simulation of thermal stabilization using vertical seasonal freezing…

Computational Engineering, Finance, and Science · Computer Science 2013-04-08 Natalia V. Pavlova , Petr N. Vabishchevich , Maria V. Vasilyeva

We propose an innovative isogeometric space-time method for the heat equation, with smooth splines approximation in both space and time. To enhance the stability of the method we add a stabilizing term, based on a linear combination of…

Numerical Analysis · Mathematics 2023-08-30 Gabriele Loli , Giancarlo Sangalli , Paolo Tesini

The increasing application of cardiorespiratory simulations for diagnosis and surgical planning necessitates the development of computational methods significantly faster than the current technology. To achieve this objective, we leverage…

Numerical Analysis · Mathematics 2024-03-21 Mahdi Esmaily , Dongjie Jia

We use considerations of energy balance and dissipation to derive a self-consistent version of the shear-transformation-zone (STZ) theory of plastic deformation in amorphous solids. The theory is generalized to include arbitrary spatial…

Soft Condensed Matter · Physics 2007-05-23 Leonid Pechenik

This paper presents a model for the simulation of liquid-gas-solid flows by means of the lattice Boltzmann method. The approach is built upon previous works for the simulation of liquid-solid particle suspensions on the one hand, and on a…

Computational Engineering, Finance, and Science · Computer Science 2014-01-08 Simon Bogner , Ulrich Rüde

We present a hybrid computational method for simulating the dynamics of macromolecules in solution which couples a mesoscale solver for the fluctuating hydrodynamics (FH) equations with molecular dynamics to describe the macromolecule. The…

Soft Condensed Matter · Physics 2007-05-23 G. Giupponi , G. De Fabritiis , P. V. Coveney

A high-order space-time flux reconstruction (FR) method has been developed to solve conservation laws on moving domains. In the space-time framework, the moving domain simulation is similar to that on a stationary domain, except that the…

Numerical Analysis · Mathematics 2024-09-24 Meilin Yu

An efficient approach to handle localized states by using spectral methods (SM) in one and three dimensions is presented. The method consists of transformation of the infinite domain to the bounded domain in $(0, \pi)$ and using the Fourier…

Quantum Physics · Physics 2014-02-07 Raka Jovanovic , Sabre Kais , Fahhad H. Alharbi

The Z method is a popular atomistic simulation method for determining the melting temperature where a sequence of molecular dynamics runs are carried out to target the lowest system energy where the solid always melts. Homogeneous melting…

Materials Science · Physics 2023-10-20 Ming Geng , Chris E. Mohn

Simulated tempering (ST) has attracted a great deal of attention in the last years, due to its capability to allow systems with complex dynamics to escape from regions separated by large entropic barriers. However its performance is…

Statistical Mechanics · Physics 2015-08-11 A. Valentim , Cláudio J. daSilva , Carlos E. Fiore