Computer Physics Communications最新文献

{"title":"Towards a complete task-based implementation of a 3D particle-in-cell code: Performance studies and benchmarks","authors":"J.J. Silva-Cuevas ,&nbsp;M. Zych ,&nbsp;K. Peyen ,&nbsp;I. Kabadshow ,&nbsp;M. Lobet","doi":"10.1016/j.cpc.2025.109647","DOIUrl":"10.1016/j.cpc.2025.109647","url":null,"abstract":"<div><div>This article investigates different programming models for miniPIC, a Particle-In-Cell mini-app, to improve overall scalability. An innovative implementation of a fully asynchronous task-based implementation of a 3D Particle-In-Cell code miniPIC is presented for the first time. The task-based model has been specially implemented in the particle-in-cell code via the backend OpenMP and the library Eventify. Four physical studies were selected as benchmarks: thermal plasma, plasma beam diffusion, a laser colliding with a plasma beam sphere, and thermal plasma with an imbalanced artificial operator. Besides, different parametric studies were designed to measure the scalability of the implementation to varying numbers of cores and various physical conditions. The current parametric studies were performed in an Intel cascade lake-based machine and an AMD EPYC-based machine to measure scalability performance on different architectures.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109647"},"PeriodicalIF":7.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908118","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":"Efficient computation of the magnetic field created by a toroidal volumetric current of convex cross section with application to the study of the magnetic confinement in tokamaks","authors":"Miguel Camacho ,&nbsp;Rafael R. Boix ,&nbsp;Diego J. Cruz-Zabala ,&nbsp;Joaquín Galdón-Quiroga ,&nbsp;Juan M. Ayllón-Guerola ,&nbsp;Eleonora Viezzer","doi":"10.1016/j.cpc.2025.109642","DOIUrl":"10.1016/j.cpc.2025.109642","url":null,"abstract":"<div><div>In this paper we present an efficient approach for the numerical computation of the static vector potential and the poloidal magnetic field of a toroidal volumetric current with arbitrary convex cross section. The standard integral expressions for both the vector potential and the magnetic field include singularities that have a deleterious effect in the computation of these integrals. In order to handle these singularities, we first introduce a change of variables to polar coordinates with origin at the observation point that makes it possible to remove the singularities of the integrands thanks to the Jacobian factor. Then, two different numerical integration methods are applied to the resulting integrals: Ma-Rokhlin-Wandzura quadrature rules and the double exponential quadrature rule. Both methods efficiently handle the singularities in the derivative of the integrand for the integrals of the vector potential and the magnetic field, and the advantages and disadvantages of each method are discussed. The results obtained for the vector potential and magnetic field are validated by comparing with closed-form results existing for the vector potential and magnetic field of a circular loop and an infinite cylinder, and good agreement is found. Then, the magnetic field code is used to model the plasma toroidal current in a tokamak nuclear fusion reactor, and it is shown that the combined magnetic field of the plasma current and that of the poloidal and toroidal coils leads to magnetic confinement of the charged particles existing in the plasma.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109642"},"PeriodicalIF":7.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904581","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":"POLARIS: The POLArized RadIation Simulator for Mie scattering in optically thick dusty plasmas","authors":"Julia Kobus ,&nbsp;Stefan Reißl ,&nbsp;Moritz Lietzow-Sinjen ,&nbsp;Alexander Bensberg ,&nbsp;Andreas Petersen ,&nbsp;Franko Greiner ,&nbsp;Sebastian Wolf","doi":"10.1016/j.cpc.2025.109645","DOIUrl":"10.1016/j.cpc.2025.109645","url":null,"abstract":"<div><div>POLARIS is a 3D Monte-Carlo radiative transfer code written in C++ for simulating the Mie scattering of laser light in optically thick nanodusty plasmas. Originally developed for astrophysical applications, POLARIS has been adapted to address the specific needs of the plasma physics community. To achieve this, a given number of photon packages characterized by their traveling direction <span><math><mover><mrow><mi>d</mi></mrow><mrow><mo>→</mo></mrow></mover></math></span>, wavelength <em>λ</em>, intensity, and polarization state in terms of the Stokes vector <span><math><mover><mrow><mi>S</mi></mrow><mrow><mo>→</mo></mrow></mover></math></span> is generated to mimic the emission of a laser source with a Gaussian intensity distribution. These photon packages are then tracked along their probabilistic paths through the particle cloud, with scattering processes determined stochastically based on probability density distributions derived from the optical properties of the dust particles. POLARIS allows simulations for arbitrary wavelengths and grain sizes, as long as the far-field approximation holds. This paper introduces this adapted version of POLARIS to the plasma physics community, highlighting its capabilities for modeling light scattering in dusty plasmas and serving as a comprehensive reference for its application. In doing so, POLARIS provides a powerful tool for the in-situ analysis of optically thick dusty plasmas.</div></div><div><h3>Program summary</h3><div><em>Program Title:</em> POLARIS</div><div><em>CPC Library link to program files:</em> <span><span>https://doi.org/10.17632/8d3jm3x29t.1</span><svg><path></path></svg></span></div><div><em>Developer's repository link:</em> <span><span>https://github.com/polaris-MCRT/POLARIS</span><svg><path></path></svg></span></div><div><em>Licensing provisions:</em> GPLv3</div><div><em>Programming language:</em> C++, Python 3</div><div><em>Nature of problem:</em> Simulating Mie scattering in dense dusty plasmas to enable in-situ analysis of these systems.</div><div><em>Solution method:</em> Tracing the random paths of photon packages through a three dimensional grid filled with dust particles making stochastic decisions on scattering processes based on probability density distributions given by the optical properties of the dust particles.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109645"},"PeriodicalIF":7.2,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143894784","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":"FLOW36: A spectral solver for phase-field based multiphase turbulence simulations on heterogeneous computing architectures","authors":"Alessio Roccon ,&nbsp;Giovanni Soligo ,&nbsp;Alfredo Soldati","doi":"10.1016/j.cpc.2025.109640","DOIUrl":"10.1016/j.cpc.2025.109640","url":null,"abstract":"&lt;div&gt;&lt;div&gt;We present FLOW36, a GPU-ready solver for interface-resolved simulations of multiphase turbulence. The simulation framework relies on the coupling of direct numerical simulation of turbulence, used to describe the flow field, with a phase-field method, used to describe the shape and deformation of a deformable interface and the presence of surfactants. An additional transport equation for a passive scalar can be solved to describe heat transfer in multiphase turbulence. The governing equations are solved in a cuboid domain bounded by two walls along the wall-normal direction where no-slip, free-slip or fixed/moving wall boundary conditions can be applied, while periodicity is applied along the streamwise and spanwise directions. The numerical method relies on a pseudo-spectral approach where Fourier series (periodic directions) and Chebyshev polynomials (wall-normal direction) are used to discretize the governing equations in space. Equations are advanced in time using an implicit-explicit scheme. From a computational perspective, FLOW36 relies on a multilevel parallelism. The first level of parallelism relies on the message-passing interface (MPI). A second level of parallelism uses OpenACC directives and cuFFT libraries; this second level is used to accelerate the code execution when heterogeneous computing infrastructures are targeted. In this work, we present the numerical method and we discuss the main implementation strategies, with particular reference to the MPI and OpenACC directives and code portability, performance and maintenance strategies. FLOW36 is released open source under the GPLv3 license.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Program summary&lt;/h3&gt;&lt;div&gt;&lt;em&gt;Program Title:&lt;/em&gt; FLOW36&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/ygcn7dsb9k.1&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;Developer's repository link:&lt;/em&gt; &lt;span&gt;&lt;span&gt;https://github.com/MultiphaseFlowLab/FLOW36&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; GPLv3 License&lt;/div&gt;&lt;div&gt;&lt;em&gt;Programming language:&lt;/em&gt; Modern Fortran&lt;/div&gt;&lt;div&gt;&lt;em&gt;Nature of problem:&lt;/em&gt; Solving the three-dimensional incompressible Navier–Stokes equations in a Cartesian domain configured for open and closed channel flows. A phase-field method is used to describe the shape and topological changes of deformable interfaces. Additional equations are included to account for the presence of surfactants, heat transfer problems and for the transport of point-wise Lagrangian particles.&lt;/div&gt;&lt;div&gt;&lt;em&gt;Solution method:&lt;/em&gt; The system of governing equations is advanced in time using an implicit-explicit strategy while the governing equations are discretized in space using a pseudo-spectral approach: Fourier series are employed along the homogeneous directions while Chebyshev polynomial along the wall-normal direction. A first order explicit Euler method is used to advance the equations for the Lagrangian particles motion. A two-","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109640"},"PeriodicalIF":7.2,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904586","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":"A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas","authors":"L. Chacón,&nbsp;J. Hamilton,&nbsp;N. Krasheninnikova","doi":"10.1016/j.cpc.2025.109646","DOIUrl":"10.1016/j.cpc.2025.109646","url":null,"abstract":"<div><div>We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018) <span><span>[17]</span></span>, the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109646"},"PeriodicalIF":7.2,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143886149","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":"PowerMEIS 3: A versatile tool for simulating ion and electron scattering","authors":"G.G. Marmitt ,&nbsp;I. Alencar ,&nbsp;H. Trombini ,&nbsp;F.F. Selau ,&nbsp;B. Konrad ,&nbsp;P.L. Grande","doi":"10.1016/j.cpc.2025.109639","DOIUrl":"10.1016/j.cpc.2025.109639","url":null,"abstract":"<div><div>The aggressive roadmap for nanotechnology is driving the development of characterization techniques capable of providing nanometric resolution while preserving structural and chemical information for increasingly complex samples. Ion and electron scattering have emerged as powerful methodologies to meet these demands. However, due to the sophistication of modern samples, data interpretation heavily relies on advanced simulations. In this context, we have developed the <span>PowerMEIS<!--> <!-->3</span> computer program, a versatile Monte Carlo tool for simulating the scattering spectra of ions and electrons. This program has been rewritten from its previous versions and incorporates several new features. A detailed description of its implementation is provided after introducing the necessary physical principles. The program's wide range of applications is illustrated through several examples, including Medium Energy Ion Scattering, Rutherford Backscattering Spectrometry, molecular ion scattering, Nuclear Reaction Profiling, and Reflection Electron Energy Loss Spectroscopy. In particular, we demonstrate three distinct strategies for calculating the path integral: the Single Scattering, <em>Connected Trajectory</em>, and <em>Direct Trajectory</em> approaches, all based on a voxel representation of the target sample. Additionally, we compare the performance of <span>PowerMEIS<!--> <!-->3</span> program to other established programs, such as <span>TRBS</span> and <span>SIMNRA</span>. The <em>Connected Trajectory</em> approach is a novel feature in scattering simulations and significantly reduces the simulation time for Multiple Scattering calculations. Moreover, it enables simulations of nanostructures at any incidence angle, a capability not supported by other programs. The program also offers the option to run simulations remotely on a server hosted at <em>Universidade Federal do Rio Grande do Sul</em> (UFRGS). Finally, we discuss the limitations of the <em>Connected Trajectory</em> approach at lower energies, primarily due to the time reversal approximation employed, and highlight possibilities for further development.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109639"},"PeriodicalIF":7.2,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904582","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":"Multi-expression programming for enhancing MHD heat transfer in a nanofluid-filled enclosure with heat generation and viscous dissipation","authors":"Naeem Ullah ,&nbsp;Aneela Bibi ,&nbsp;Dianchen Lu","doi":"10.1016/j.cpc.2025.109649","DOIUrl":"10.1016/j.cpc.2025.109649","url":null,"abstract":"<div><div>Efficient thermal management is a critical challenge in various engineering configuration where overheating affects performance, such as electronics, industrial cooling, and HVAC applications. Traditional cooling methods often struggle with confined enclosures, leading to inefficiencies. Nanofluids and optimized heating mechanisms offer a promising solution, but their complex thermal behavior requires precise predictive modeling. This study addresses this challenge by conducting a numerical analysis of heat transfer in nanofluid-filled enclosures with sinusoidal heating. This study employs multi-expression programming technique to improve thermal performance by analyzing heating design and electromagnetic interactions. In this exploration a square enclosure filled with water-based copper oxide nanofluid is evaluated, featuring a centrally located sinusoidal heated element. The enclosure is also partially heated from below, cooled along the sidewalls, while the upper and remaining lower portions are insulated. The numerical simulation explores flow-controlling variables, including nanoparticles volume fraction, heating element amplitude, magnetic field strength and its orientation, viscous dissipation, and heat generation, to assess their impact on flow dynamics and thermal performance. The findings indicate that the Nusselt number increases by <span><math><mrow><mn>26.68</mn><mo>%</mo></mrow></math></span> when nanoparticle concentration reaches <span><math><mrow><mn>4</mn><mo>%</mo></mrow></math></span>, while a rise in Rayleigh number from <span><math><msup><mrow><mn>10</mn></mrow><mn>3</mn></msup></math></span> to <span><math><msup><mrow><mn>10</mn></mrow><mn>6</mn></msup></math></span> results in an approximate <span><math><mrow><mn>75.40</mn><mo>%</mo></mrow></math></span> increase. Moreover, the average percentage decrease in Nusselt number against <span><math><msub><mi>Q</mi><mi>g</mi></msub></math></span> from 0 to 30 is 20.71% while for <span><math><mrow><mi>H</mi><mi>a</mi></mrow></math></span> (10 to 100) it is 42.61%.The multi-expression programming model accurately predicts convective heat transfer trends, achieving a high correlation coefficient (<span><math><mrow><msub><mi>C</mi><mi>R</mi></msub><mo>=</mo><mn>0.99</mn></mrow></math></span> for training, <span><math><mrow><msub><mi>C</mi><mi>R</mi></msub><mo>=</mo><mn>0.94</mn></mrow></math></span> for testing) and low error metrics (<span><math><mrow><mi>R</mi><mi>M</mi><mi>S</mi><mi>E</mi><mspace></mspace><mo>=</mo><mspace></mspace><mn>0.02</mn><mo>,</mo><mspace></mspace><mi>M</mi><mi>A</mi><mi>E</mi><mspace></mspace><mo>=</mo><mspace></mspace><mn>0.03</mn><mo>,</mo><mspace></mspace><mi>P</mi><mi>I</mi><mspace></mspace><mo>=</mo><mspace></mspace><mn>0.06</mn></mrow></math></span> for training), ensuring strong agreement with numerical results.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109649"},"PeriodicalIF":7.2,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908098","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":"Minimal autocorrelation in hybrid Monte Carlo simulations using exact Fourier acceleration","authors":"Johann Ostmeyer ,&nbsp;Pavel Buividovich","doi":"10.1016/j.cpc.2025.109624","DOIUrl":"10.1016/j.cpc.2025.109624","url":null,"abstract":"<div><div>The hybrid Monte Carlo (HMC) algorithm is a ubiquitous method in computational physics with applications ranging from condensed matter to lattice QCD and beyond. However, HMC simulations often suffer from long autocorrelation times, severely reducing their efficiency. In this work two of the main sources of autocorrelations are identified and eliminated. The first source is the sampling of the canonical momenta from a sub-optimal normal distribution, the second is a badly chosen trajectory length. Analytic solutions to both problems are presented and implemented in the exact Fourier acceleration (EFA) method. It completely removes autocorrelations for near-harmonic potentials and consistently yields (close-to-) optimal results for numerical simulations of the Su-Schrieffer-Heeger and the Ising models as well as in lattice gauge theory, in some cases reducing the autocorrelation by multiple orders of magnitude. EFA is advantageous for and easily applicable to any HMC simulation of an action that includes a quadratic part.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109624"},"PeriodicalIF":7.2,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143868630","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":"Multi-sphere rigid-body particles in a parallelized LEBC with LIGGGHTS","authors":"Elizabeth Suehr ,&nbsp;Manuel Gale ,&nbsp;Ramon Lopez ,&nbsp;Raymond L. Fontenot ,&nbsp;Peter Liever ,&nbsp;Jennifer S Curtis","doi":"10.1016/j.cpc.2025.109636","DOIUrl":"10.1016/j.cpc.2025.109636","url":null,"abstract":"<div><div>A method for the Message Passing Interface (MPI) parallelization of the Lees-Edwards boundary condition (LEBC) within the LIGGGHTS framework for multi-sphere rigid particles was created, allowing for the simulation of very detailed complex shapes. Double-send and double-receive communication was added to LIGGGHTS to allow for shared information across disjointed processor domains along the shearing boundary of the LEBC. The verification of this method is performed via 3D shearing simulations of single spheres and sphere clumps and rods with aspect ratios 2, 4, and 6. The predicted shear stress employing the new parallelized LEBC method matches stress values from granular kinetic theory and previously published simulation results. No LEBC simulations for DEM or multi-sphere rigid particles are known to be parallelized, allowing for computationally difficult LEBC multi-sphere simulations to be performed for the first time.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109636"},"PeriodicalIF":7.2,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908096","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":"PENGEOM – A general-purpose geometry package for Monte Carlo simulation of radiation transport in complex material structures (New Version Announcement)","authors":"Julio Almansa ,&nbsp;Francesc Salvat-Pujol ,&nbsp;Gloria Díaz-Londoño ,&nbsp;Artur Carnicer ,&nbsp;Antonio M. Lallena ,&nbsp;Francesc Salvat","doi":"10.1016/j.cpc.2025.109634","DOIUrl":"10.1016/j.cpc.2025.109634","url":null,"abstract":"<div><div>A new version of the code system <span>pengeom</span>, which provides a complete set of tools to handle different geometries in Monte Carlo simulations of radiation transport, is presented. The distribution package consists of a set of Fortran subroutines and a Java graphical user interface that allows building and debugging the geometry-definition file, and producing images of the geometry in two- and three dimensions. A detailed description of these tools is given in the original paper [<em>Comput. Phys. Commun.</em> <strong>199</strong> (2016) 102–113] and in the code manual included in the distribution package. The present new version differs from the previous one in that 1) it implements a more systematic handling of round-off errors, 2) the set of examples has been updated, and 3) it allows including a single voxelized box as a geometry module. With the last optional feature, a Monte Carlo code can readily be used for describing irradiation processes with complex material structures, such as medical treatments.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109634"},"PeriodicalIF":7.2,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143868631","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}