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Molecular dynamics (MD) simulation techniques are widely used for various natural science applications. Increasingly, machine learning (ML) force field (FF) models begin to replace ab-initio simulations by predicting forces directly from…

Computational Physics · Physics 2023-08-29 Xiang Fu , Zhenghao Wu , Wujie Wang , Tian Xie , Sinan Keten , Rafael Gomez-Bombarelli , Tommi Jaakkola

The phase-field method is reviewed from the general perspective of converting a free boundary problem into a set of coupled partial differential equations. Its main advantage is that it avoids front tracking by using phase fields to locate…

Multiparameter estimation is a general problem that aims at measuring unknown physical quantities, obtaining high precision in the process. In this context, the adoption of quantum resources promises a substantial boost in the achievable…

The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle…

A non-isothermal phase field model that captures both displacive and diffusive phase transformations in a unified framework is presented. The model is developed in a formal thermodynamic setting, which provides guidance on admissible…

Materials Science · Physics 2011-12-02 Mirko Maraldi , Garth N. Wells , Luisa Molari

Dynamic benchmarks interweave model fitting and data collection in an attempt to mitigate the limitations of static benchmarks. In contrast to an extensive theoretical and empirical study of the static setting, the dynamic counterpart lags…

Machine Learning · Computer Science 2023-03-03 Ali Shirali , Rediet Abebe , Moritz Hardt

Two benchmark problems for quantitative assessment of anisotropic curvature driving force in phase field method were developed and introduced. Both benchmarks contained an anisotropically shrinking grain in homogeneous matrix. The first…

Materials Science · Physics 2022-10-28 Martin Minar , Nele Moelans

In this contribution, a novel framework for simulating mixed-mode failure in rock is presented. Based on a hybrid phase-field model for mixed-mode fracture, separate phase-field variables are introduced for tensile (mode I) and shear (mode…

Computational Engineering, Finance, and Science · Computer Science 2023-12-05 Lisa Hug , Martin Potten , Georg Stockinger , Kurosch Thuro , Stefan Kollmannsberger

Modelling interfacial dynamics with soluble surfactants in a multiphase system is a challenging task. Here, we consider the numerical approximation of a phase-field surfactant model with fluid flow. The nonlinearly coupled model consists of…

Computational Physics · Physics 2020-03-02 Guangpu Zhu , Jisheng Kou , Shuyu Sun , Jun Yao , Aifen Li

Background. Feature Model (FM) is the most important technique used to manage the variability through products in Software Product Lines (SPLs). Often, the SPLs requirements variability is by using variable use case model which is a real…

Software Engineering · Computer Science 2019-04-29 Esraa Abdel-Ghani , Said Ghoul

Phase field fracture models have seen widespread application in the last decade. Among these applications, its use to model the evolution of fatigue cracks has attracted particular interest, as fatigue damage behaviour can be predicted for…

Computational Engineering, Finance, and Science · Computer Science 2023-04-26 P. K. Kristensen , A. Golahmar , E. Martínez-Pañeda , C. F. Niordson

The phase-field model (PFM) represents the crack geometry in a diffusive way without introducing sharp discontinuities. This feature enables PFM to effectively model crack propagation compared with numerical methods based on discrete crack…

Computational Engineering, Finance, and Science · Computer Science 2019-02-18 Shuwei Zhou , Timon Rabczuk , Xiaoying Zhuang

The main challenge of quantum computing on its way to scalability is the erroneous behaviour of current devices. Understanding and predicting their impact on computations is essential to counteract these errors with methods such as quantum…

Quantum Physics · Physics 2023-06-16 Tom Weber , Kerstin Borras , Karl Jansen , Dirk Krücker , Matthias Riebisch

The properties of excited nuclear matter and the quest for a phase transition which is expected to exist in this system are the subject of intensive investigations. High energy nuclear collisions between finite nuclei which lead to matter…

Nuclear Theory · Physics 2009-11-06 J. Richert , P. Wagner

This article presents numerical investigations on accuracy and convergence properties of several numerical approaches for simulating steady state flows in heterogeneous aquifers. Finite difference, finite element, discontinuous Galerkin,…

Computational Engineering, Finance, and Science · Computer Science 2020-03-05 Cristian D. Alecsa , Imre Boros , Florian Frank , Peter Knabner , Mihai Nechita , Alexander Prechtel , Andreas Rupp , Nicolae Suciu

A model of multicellular systems with several types of cells is developed from the phase field model. The model is presented as a set of partial differential equations of the field variables, each of which expresses the shape of one cell.…

Biological Physics · Physics 2015-05-30 Makiko Nonomura

The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…

While the particle-in-cell (PIC) method is quite mature, verification and validation of both newly developed methods and individual codes has largely focused on an idiosyncratic choice of a few test cases. Many of these test cases involve…

Computational Physics · Physics 2021-05-19 S. O'Connor , Z. D. Crawford , J. Verboncoeur , J. Lugisland , B. Shanker

Current technological advancements of quantum computers highlight the need for application-driven, practical and well-defined methods of benchmarking their performance. As the existing NISQ device's quality of two-qubit gate errors rate is…

Performance · Computer Science 2023-12-15 Krzysztof Kurowski , Piotr Rydlichowski , Konrad Wojciechowski , Tomasz Pecyna , Mateusz Slysz