Computer Physics Communications最新文献

{"title":"Enhanced partial donor cell method for hyperbolic equations in orthogonal curvilinear coordinates","authors":"Hongyang Luo ,&nbsp;Binzheng Zhang ,&nbsp;John G. Lyon ,&nbsp;Jiaxing Tian","doi":"10.1016/j.cpc.2025.109808","DOIUrl":"10.1016/j.cpc.2025.109808","url":null,"abstract":"<div><div>An enhanced high-order reconstruction method for finite-volume solvers in orthogonal curvilinear coordinates is presented. Extending the classical Partial Donor Method (PDM) to account for geometric effects, the scheme achieves arbitrary high-order convergence while preserving monotonicity and minimizing numerical diffusion. Optimal seventh-order interpolation formulas for uniform cylindrical and spherical-radial grids are derived, complemented by an optional non-clipping algorithm that enhances accuracy near narrow extrema. Extensive tests in both linear and non-linear systems validate the method's high spatial accuracy and non-oscillatory performance. Its straightforward derivation and modest computational overhead render the approach a promising tool for astrophysical, space, and planetary applications, with the potential for extension to other curvilinear systems.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109808"},"PeriodicalIF":3.4,"publicationDate":"2025-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solving multiscale dynamical systems by deep learning","authors":"Junjie Yao ,&nbsp;Yuxiao Yi ,&nbsp;Liangkai Hang ,&nbsp;Weinan E ,&nbsp;Weizong Wang ,&nbsp;Yaoyu Zhang ,&nbsp;Tianhan Zhang ,&nbsp;Zhi-Qin John Xu","doi":"10.1016/j.cpc.2025.109802","DOIUrl":"10.1016/j.cpc.2025.109802","url":null,"abstract":"<div><div>Multiscale dynamical systems, modeled by high-dimensional stiff ordinary differential equations (ODEs) with wide-ranging characteristic timescales, arise across diverse fields of science and engineering, but their numerical solvers often encounter severe efficiency bottlenecks. This paper introduces a novel <strong>DeePODE</strong> method, which consists of an Evolutionary Monte Carlo Sampling method (EMCS) and an efficient end-to-end deep neural network (DNN) to predict multiscale dynamical systems. The method's primary contribution is its approach to the “curse of dimensionality”– the exponential increase in data requirements as dimensions increase. By integrating Monte Carlo sampling with the system's inherent evolutionary dynamics, DeePODE efficiently generates high-dimensional time-series data covering trajectories with wide characteristic timescales or frequency spectra in the phase space. Appropriate coverage on the frequency spectrum of the training data proves critical for data-driven time-series prediction ability, as neural networks exhibit an intrinsic learning pattern of progressively capturing features from low to high frequencies. We validate this finding across dynamical systems from ecological systems to reactive flows, including a predator-prey model, a power system oscillation, a battery electrolyte thermal runaway, and turbulent reaction-diffusion systems with complex chemical kinetics. The method demonstrates robust generalization capabilities, allowing pre-trained DNN models to accurately predict the behavior in previously unseen scenarios, largely due to the delicately constructed dataset. While theoretical guarantees remain to be established, empirical evidence shows that DeePODE achieves the accuracy of implicit numerical schemes while maintaining the computational efficiency of explicit schemes. This work underscores the crucial relationship between training data distribution and neural network generalization performance. This work demonstrates the potential of deep learning approaches in modeling complex dynamical systems across scientific and engineering domains.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109802"},"PeriodicalIF":3.4,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"BSMPT v3 a tool for phase transitions and primordial gravitational waves in extended Higgs sectors","authors":"Philipp Basler ,&nbsp;Lisa Biermann ,&nbsp;Margarete Mühlleitner ,&nbsp;Jonas Müller ,&nbsp;Rui Santos ,&nbsp;João Viana","doi":"10.1016/j.cpc.2025.109766","DOIUrl":"10.1016/j.cpc.2025.109766","url":null,"abstract":"<div><div>Strong first-order phase transitions (SFOPT) during the evolution of the Higgs potential in the early universe not only allow for the dynamical generation of the observed matter-antimatter asymmetry, they can also source a stochastic gravitational wave (GW) background possibly detectable with future space-based gravitational waves interferometers. As SFOPTs are phenomenologically incompatible with the Standard Model (SM) Higgs sector, the observation of GWs from SFOPTs provides an exciting interplay between cosmology and particle physics in the search for new physics. With the <span>C++</span> code <span>BSMPTv3</span>, we present for the first time a tool that performs the whole chain from the particle physics model to the gravitational wave spectrum. Extending the previous versions <span>BSMPTv1</span> and <span>v2</span>, it traces the phases of beyond-SM (BSM) Higgs potentials and is capable of treating multiple vacuum directions and multi-step phase transitions. During the tracing, it checks for discrete symmetries, flat directions, and electroweak symmetry restoration, and finally reports the transition history. The transition probability from the false to the true vacuum is obtained from the solution of the bounce equation which allows for the calculation of the nucleation, percolation and completion temperatures. The amplitude and characteristic frequencies of the GWs originating from bubble collisions and highly relativistic fluid shells, sound waves and turbulence, are evaluated after the calculation of the thermal parameters at the transition temperature, and finally the signal-to-noise ratio at <span>LISA</span> is provided. The code <span>BSMPTv3</span> is a powerful self-contained tool that comes more than timely and will be of great benefit for investigations of the vacuum structure of the early universe of not only simple but also complicated Higgs potentials involving several vacuum directions, with exciting applications in the search for new physics.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109766"},"PeriodicalIF":3.4,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MHIT36: A phase-field code for GPU simulations of multiphase homogeneous isotropic turbulence","authors":"Alessio Roccon ,&nbsp;Lea Enzenberger ,&nbsp;Domenico Zaza ,&nbsp;Alfredo Soldati","doi":"10.1016/j.cpc.2025.109804","DOIUrl":"10.1016/j.cpc.2025.109804","url":null,"abstract":"<div><div>We present MHIT36, a GPU-tailored solver for interface-resolved simulations of multiphase turbulence. The framework couples direct numerical simulation (DNS) of the Navier–Stokes equations, which describe the flow field, with a phase-field method to capture interfacial phenomena. Simulations are performed in a cubic domain with periodic boundary conditions applied in all three spatial directions. The governing equations are discretized using a second-order finite difference scheme. The Navier–Stokes equations are integrated with an explicit fractional-step method, and the resulting pressure Poisson equation is solved using a fast Fourier transform (FFT)-based approach. The accurate conservative diffuse interface (ACDI) formulation is used to describe the transport of the phase-field variable. From a computational standpoint, MHIT36 employs a two-dimensional domain decomposition to distribute the workload across MPI tasks. The cuDecomp library is used to perform pencil transpositions and halo exchanges, while the cuFFT library and OpenACC directives are leveraged to offload the remaining computational kernels to the GPU. This parallelization strategy enables MHIT36 to achieve an excellent scaling efficiency on 1024 GPUs, while maintaining a structure that is easy to extend and modify. MHIT36 is released open source under the MIT license.</div></div><div><h3>Program summary</h3><div><em>Program Title:</em> MHIT36</div><div><em>CPC Library link to program files:</em> <span><span>https://doi.org/10.17632/yb2dt99swr.1</span><svg><path></path></svg></span></div><div><em>Developer's repository link:</em> <span><span>https://github.com/MultiphaseFlowLab/MHIT36</span><svg><path></path></svg></span></div><div><em>Licensing provisions:</em> MIT License</div><div><em>Programming language:</em> Modern Fortran</div><div><em>Nature of problem:</em> Solving the three-dimensional incompressible Navier-Stokes equations in a triply-periodic box. A phase-field method based on the accurate conservative diffuse interface (ACDI) formulation is used to describe the shape and topological changes of the interface.</div><div><em>Solution method:</em> The system of governing equations is advanced in time using an explicit strategy while the governing equations are discretized in space using a second-order finite difference approach. A fractional step is used to solve the Navier-Stokes equations and an FFT-based method is used to solve the resulting Poisson equation for pressure. The parallelization relies on a 2D domain decomposition strategy and all intra- and inter-node communications are handled by the cuDecomp strategy. The cuFFT library and OpenACC directives are used to entirely offload code execution to GPUs.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109804"},"PeriodicalIF":3.4,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144830690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"GREENY: A full-F 2D gyrofluid reconnection code","authors":"F.F. Locker ,&nbsp;M. Held ,&nbsp;T.M. Stocker-Waldhuber ,&nbsp;A. Stürz ,&nbsp;M. Rinner ,&nbsp;A. Kendl","doi":"10.1016/j.cpc.2025.109807","DOIUrl":"10.1016/j.cpc.2025.109807","url":null,"abstract":"<div><div>We present a novel Full-<em>F</em> gyrofluid model and its implementation, the 2D gyrofluid magnetic reconnection code GREENY (Gyrofluid Reconnection with Extended Electromagnetic Nonlinearity). After a brief introduction to gyrofluids, magnetic reconnection, and the implemented models, we discuss the numerical framework and the algorithmic treatment of the quasi-neutrality condition and Amperè's law with special focus on arbitrary wavelength polarisation and induction. Next, we present solver tests, conservation laws, and the influence of artificial subgrid dissipation on Harris-sheet magnetic reconnection. Finally, we show different applications, initial conditions and present example simulations.</div></div><div><h3>Program summary</h3><div><em>Program Title:</em> GREENY</div><div><em>CPC Library link to program files:</em> <span><span>https://doi.org/10.17632/rc32ngbxft.1</span><svg><path></path></svg></span></div><div><em>Developer's repository link:</em> <span><span>https://git.uibk.ac.at/c7441315/greeny</span><svg><path></path></svg></span></div><div><em>Licensing provisions:</em> MIT</div><div><em>Programming language:</em> C/C++</div><div><em>Supplementary material:</em> Granalysis, <span>vortex_experiments.pdf</span>, <span>gyromod_derivation.pdf</span></div><div><em>Nature of problem:</em> Solves 2D isothermal electromagnetic gyrofluid equations of magnetic reconnection with self-consistent finite Larmor radius effects. The simulations can be done, using Full-<em>F</em>, <em>δ</em>F models with arbitrary wavelength polarisation or long-wavelength limit. To invert Ampère's law, multiple solvers, with and without Boussinesq-Oberbeck approximation, are available.</div><div><em>Solution method:</em> Finite difference solver for the dynamical gyrofluid density and momentum equations (Adams-Bashforth scheme, Arakawa scheme) with spectral and iterative solvers for evaluation of the gyrofluid polarisation equation, gyroaveraging operators and Ampère's law.</div><div><em>Additional comments including restrictions and unusual features:</em> Requires OpenMP, FFTW3 and NetCDF</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109807"},"PeriodicalIF":3.4,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144813991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Performing integration-by-parts reductions using NeatIBP 1.1 + Kira","authors":"Zihao Wu ,&nbsp;Janko Böhm ,&nbsp;Rourou Ma ,&nbsp;Johann Usovitsch ,&nbsp;Yingxuan Xu ,&nbsp;Yang Zhang","doi":"10.1016/j.cpc.2025.109798","DOIUrl":"10.1016/j.cpc.2025.109798","url":null,"abstract":"<div><div>We introduce a new version v1.1 of <span>NeatIBP</span>. In this new version, a <span>Kira</span> interface is included. It allows the user to reduce the integration-by-parts (IBP) identity systems generated by <span>NeatIBP</span> using <span>Kira</span> in a highly automated way. This new version also implements the so-called <em>spanning cuts</em> method. It helps to reduce the total computational complexity of IBP reduction for certain hard problems. Another important feature of this new version is an algorithm to simplify the solution module of the <em>syzygy equations</em> hinted by the idea of <em>maximal cuts</em>.</div></div><div><h3>Program summary</h3><div><em>Program Title:</em> NeatIBP 1.1</div><div><em>CPC Library link to program files:</em> <span><span>https://doi.org/10.17632/ms85fpfm7b.2</span><svg><path></path></svg></span></div><div><em>Developer's repository link:</em> <span><span>https://github.com/yzhphy/NeatIBP</span><svg><path></path></svg></span></div><div><em>Licensing provisions:</em> GPLv3</div><div><em>Programming language:</em> <span>Mathematica</span></div><div><em>Nature of problem:</em> Upgrading <span>NeatIBP</span> [1], a package to decrease the difficulty of integration-by-parts reduction (IBP) of Feynman integrals via the syzygy methods.</div><div><em>Solution method:</em> We upgraded <span>NeatIBP</span> to its new version to increase its capability and usability. We developed an interface to <span>Kira</span> [2,3]. With it, the user can reduce the linear system of IBP generated by <span>NeatIBP</span> automatically through <span>Kira</span>. We implemented the so-called <em>spanning cuts</em> method in the new version. We also developed the syzygy simplification algorithm using the idea of <em>maximal cut</em>. The latter two features increased the capability of <span>NeatIBP</span> for solving harder Feynman integral families. Several other usability upgrades are also included in the new version.</div></div><div><h3>References</h3><div><ul><li><span>[1]</span><span><div>Z. Wu, J. Boehm, R. Ma, H. Xu, Y. Zhang, NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals, Comput. Phys. Commun. 295 (2024) 108999, <span><span>https://doi.org/10.1016/j.cpc.2023.108999</span><svg><path></path></svg></span>.</div></span></li><li><span>[2]</span><span><div>P. Maierhöfer, J. Usovitsch, P. Uwer, Kira—a Feynman integral reduction program, Comput. Phys. Commun. 230 (2018) 99–112, <span><span>https://doi.org/10.1016/j.cpc.2018.04.012</span><svg><path></path></svg></span>.</div></span></li><li><span>[3]</span><span><div>J. Klappert, F. Lange, P. Maierhöfer, J. Usovitsch, Integral reduction with Kira 2.0 and finite field methods, Comput. Phys. Commun. 266 (2021) 108024, <span><span>https://doi.org/10.1016/j.cpc.2021.108024</span><svg><path></path></svg></span>.</div></span></li></ul></div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109798"},"PeriodicalIF":3.4,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144813990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced KAN architecture for experimental data processing in high-energy physics","authors":"Yauheni Talochka,&nbsp;Gennady Ososkov,&nbsp;Nikolay Voytishin","doi":"10.1016/j.cpc.2025.109801","DOIUrl":"10.1016/j.cpc.2025.109801","url":null,"abstract":"<div><div>An enhanced Kolmogorov-Arnold Network (KAN) compatible with the Adam optimizer is developed and applied to the deconvolution problem of multi-Gaussian signals and the fitting problem of the 3D distribution of the magnetic field in the BM@N (Baryonic Matter at Nuclotron) spectrometer of the Nuclotron-based Ion Collider fAcilit (NICA). Stable training dynamics and rapid convergence with the Adam algorithm, closely matching those of the computationally intensive LBFGS method, are achieved by implementing activation functions as a superposition of asymmetric super-Gaussian components and initializing their weights close to zero. The proposed KANs exhibit high accuracy (<span><math><mo>&gt;</mo><mn>90</mn><mtext>%</mtext></math></span>) in the deconvolution of overlapping Gaussian signals with an unknown number of components as well as in the modeling of complex magnetic field geometries.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109801"},"PeriodicalIF":3.4,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144780396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"SBETHE: Stopping powers of materials for swift charged particles from the corrected Bethe formula (new version announcement)","authors":"Francesc Salvat ,&nbsp;Pedro Andreo","doi":"10.1016/j.cpc.2025.109796","DOIUrl":"10.1016/j.cpc.2025.109796","url":null,"abstract":"&lt;div&gt;&lt;div&gt;A new version of the Fortran program &lt;span&gt;sbethe&lt;/span&gt; is presented. This program calculates the stopping power of materials for swift charged particles with small charges (electrons, muons, protons, their antiparticles, and alphas). The electronic stopping power is computed from the corrected Bethe formula, with the shell correction derived from numerical calculations with the plane-wave Born approximation (PWBA) for atoms, which were based on an independent-electron model with the Dirac–Hartree–Fock–Slater self-consistent potential for the ground-state configuration of the target atom. The density effect correction is evaluated from an empirical optical oscillator strength (OOS) model based on atomic subshell contributions obtained from PWBA calculations. For projectiles heavier than the electron, the Barkas correction is evaluated from the OOS model, and the Lindhard–Sørensen correction is estimated from an accurate parameterization of its numerical values. The calculated electronic stopping power is completely determined by a single empirical parameter, the mean excitation energy or &lt;em&gt;I&lt;/em&gt; value of the material. The radiative stopping power for electrons, and positrons, is evaluated by means of Seltzer and Berger's cross section tables for bremsstrahlung emission. The radiative contribution to the stopping power of muons is obtained from interpolation of tables given by Groom et al. (2001) [5]. The program yields reliable stopping powers and particle ranges for arbitrary materials and projectiles with kinetic energy larger than a certain cutoff value &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;cut&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;, which is specific of each projectile kind. The program is accompanied by an extensive database that contains tables of relevant energy-dependent atomic quantities for all the elements from hydrogen to einsteinium. &lt;span&gt;sbethe&lt;/span&gt; may be used to generate basic information for dosimetry calculations and Monte Carlo simulations of radiation transport, and as a pedagogical tool.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;New version program summary&lt;/h3&gt;&lt;div&gt;&lt;em&gt;Program Title:&lt;/em&gt; &lt;span&gt;sbethe&lt;/span&gt;&lt;/div&gt;&lt;div&gt;&lt;em&gt;CPC Library link to program files:&lt;/em&gt; &lt;span&gt;&lt;span&gt;https://doi.org/10.17632/7zw25f428t.2&lt;/span&gt;&lt;svg&gt;&lt;path&gt;&lt;/path&gt;&lt;/svg&gt;&lt;/span&gt;&lt;/div&gt;&lt;div&gt;&lt;em&gt;Licensing provisions::&lt;/em&gt; CC By NC 3.0&lt;/div&gt;&lt;div&gt;&lt;em&gt;Programming language::&lt;/em&gt; Fortran 90&lt;/div&gt;&lt;div&gt;&lt;em&gt;Journal reference of previous version::&lt;/em&gt; Comput. Phys. Commun. &lt;strong&gt;287&lt;/strong&gt; (2023) 108697&lt;/div&gt;&lt;div&gt;&lt;em&gt;Does the new version supersede the previous version?::&lt;/em&gt; Yes&lt;/div&gt;&lt;div&gt;&lt;em&gt;Reasons for the new version::&lt;/em&gt; The present version extends the original Fortran code by implementing a more realistic extension formula for low-energy protons and alphas in various materials. The program now accounts for radiative effects for high-energy muons. It also produces additional output files with relevant data.&lt;/div&gt;&lt;div&gt;&lt;em&gt;Summary of revisions::&lt;/em&gt; The ","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109796"},"PeriodicalIF":3.4,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144780397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discontinuous Galerkin schemes for master equations modeling open quantum systems","authors":"José A. Morales Escalante","doi":"10.1016/j.cpc.2025.109778","DOIUrl":"10.1016/j.cpc.2025.109778","url":null,"abstract":"<div><div>This work presents a numerical analysis of a Discontinuous Galerkin (DG) method for a transformed master equation modeling an open quantum system: a quantum sub-system interacting with a noisy environment. It is shown that the presented transformed master equation has a reduced computational cost in comparison to a Wigner-Fokker-Planck model of the same system for the general case of non-harmonic potentials via DG schemes. Specifics of a Discontinuous Galerkin (DG) numerical scheme adequate for the system of convection-diffusion equations obtained for our Lindblad master equation in position basis are presented. This lets us solve computationally the transformed system of interest modeling our open quantum system problem. The benchmark case of a harmonic potential is then presented, for which the numerical results are compared against the analytical steady-state solution of this problem. Two non-harmonic cases are then presented: the linear and quartic potentials are modeled via our DG framework, for which we show our numerical results.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109778"},"PeriodicalIF":3.4,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advanced numerical methods for simulating suspension flow in fibrous media: Application to the RTM process","authors":"Hamza Boullouz ,&nbsp;Imad Kissami ,&nbsp;Imad Elmahi ,&nbsp;Ahmed El Moumen ,&nbsp;Abdelghani Saouab","doi":"10.1016/j.cpc.2025.109783","DOIUrl":"10.1016/j.cpc.2025.109783","url":null,"abstract":"<div><div>Although significant efforts have been made to model the flow of suspensions (particle-filled resins) through fibrous media, most studies are limited to one-dimensional flows, which restricts their applicability to real-world composite manufacturing processes. This work addresses this gap by introducing a robust unstructured finite-volume solver to simulate two-dimensional suspension flow and particle filtration in fibrous media. The solver couples a flow model (solved via a pseudo-domain approach to extend the elliptic pressure equation to the whole domain) with a particle transport-retention model. The extended elliptic pressure equation is discretized using a diamond scheme, ensuring accurate resolution of pressure-velocity in complex geometries, while the advection equation governing both the saturation of the resin (tracked via a Volume-of-Fluid method) and the transport of suspended particles is discretized using a second-order upwind scheme stabilized by a Barth-Jespersen limiter. The developed model was validated by comparing the numerical results with several experimental and analytical results. Its robustness was then evaluated in different Resin Transfer Molding (RTM) applications for complex functional composite parts with singularities, such as the T-joint composite.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109783"},"PeriodicalIF":3.4,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144780394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}