Article
Mathematics, Applied
Martin Bauer, Sebastian Eibl, Christian Godenschwager, Nils Kohl, Michael Kuron, Christoph Rettinger, Florian Schornbaum, Christoph Schwarzmeier, Dominik Thoennes, Harald Koestler, Ulrich Ruede
Summary: Efficiently programming current supercomputers is challenging due to the need to utilize multiple levels of parallelism and handle complex hardware architectures. WALBERLA provides efficient building blocks for simulations on block-structured grids to address these challenges.
COMPUTERS & MATHEMATICS WITH APPLICATIONS
(2021)
Article
Chemistry, Physical
Jieru Yang, Jian Meng, Leiqian Zhang, Kaibin Chu, Wei Zong, Lingfeng Ge, Siyu Fu, Jiale Ge, Haiyan Zhu, Guanjie He, Dan J. L. Brett, Feili Lai, Tianxi Liu
Summary: In this study, hierarchical porous carbon and bi-heteroatom doping strategy are combined to achieve excellent energy storage performance in electrode materials. The designed BN-HPC electrode exhibits high specific capacitance and energy density, making it suitable for aqueous supercapacitors and other energy storage devices.
JOURNAL OF POWER SOURCES
(2022)
Article
Computer Science, Software Engineering
Pasquale Claudio Africa
Summary: Numerical simulations are widely used in mathematics and computational science. This study presents an open-source library called lifex, which is designed for high-performance finite element simulations of complex multiphysics, multiscale, and multidomain problems. The flexibility and parallel performance of lifex are demonstrated through various examples and applications.
Article
Computer Science, Theory & Methods
Richard Tran Mills, Mark F. Adams, Satish Balay, Jed Brown, Alp Dener, Matthew Knepley, Scott E. Kruger, Hannah Morgan, Todd Munson, Karl Rupp, Barry F. Smith, Stefano Zampini, Hong Zhang, Junchao Zhang
Summary: The PETSc library offers scalable solvers for solving differential and algebraic equations as well as numerical optimization, addressing basic GPU accelerator challenges. The design of PETSc emphasizes performance portability, flexibility, and extensibility, allowing application developers to use their preferred programming model on different heterogeneous computing systems.
PARALLEL COMPUTING
(2021)
Article
Mathematics
Sergey I. Martynenko, Aleksey Yu. Varaksin
Summary: This article presents a two-grid approach for developing a black-box iterative solver for a large class of real-life problems in continuum mechanics. The requirements on this solver are robustness, efficiency, and parallelism. The basic idea is to use the auxiliary structured grid for more computational work and combine the advantages of unstructured and structured grids. The proposed algorithm can reduce the execution time in solving (initial-)boundary value problems.
Article
Mathematical & Computational Biology
Sotirios Panagiotou, Harry Sidiropoulos, Dimitrios Soudris, Mario Negrello, Christos Strydis
Summary: This article introduces a neural simulator called EDEN, which achieves high model flexibility and high computational performance through innovative model analysis and code generation techniques. The simulator can run NeuroML-v2 models directly without users having to learn a specific model specification language. Experimental results demonstrate that EDEN outperforms the established NEURON simulator in terms of both functional correctness and computational performance.
FRONTIERS IN NEUROINFORMATICS
(2022)
Article
Electrochemistry
R. Girish Khanna, Sarathkumar Krishnan, Mayank K. Singh, Dhirendra Kumar Rai, Sumanta Samal
Summary: This study presents the first experimental and numerical simulation studies on the galvanic corrosion of a single-phase face-centered cubic Fe25Co25Ni25Cr20V5 high entropy alloy. The galvanic corrosion rates were found to be 6.7513 mmpy and 7.152 mmpy according to simulation and experimental data, respectively. In a 1.2 M sulphuric acid solution, the alloy showed a high passive window of 1.0856 V and good passivation film resistance of 4586 Ohms.cm2. Additionally, the alloy exhibited good electrocatalytic behavior towards the hydrogen evolution reaction, with an overpotential of -355.8 mV and a low Tafel slope of -68 mV/dec.
ELECTROCHIMICA ACTA
(2023)
Article
Computer Science, Software Engineering
Ami Marowka
Summary: This article analyzes the problems in the criteria and metrics used for evaluating the performance portability of applications, and proposes new criteria and metrics. It demonstrates the inaccuracies and lack of a clear performance portability model in the existing criteria. Additionally, it evaluates two metrics and shows that one of them suffers from information loss while the others do not.
CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
(2023)
Article
Computer Science, Software Engineering
Ami Marowka
Summary: The article discusses the challenges of performance portability in high-performance programming, highlights the controversy surrounding the definition of performance portability, and identifies flaws in the existing metric. It proposes a revised metric to address these issues.
SOFTWARE-PRACTICE & EXPERIENCE
(2022)
Article
Computer Science, Theory & Methods
Johannes de Fine Licht, Maciej Besta, Simon Meierhans, Torsten Hoefler
Summary: This study explores optimizing transformations for high-performance computing applications on spatial computing architectures, accelerating programmer productivity on these platforms and enhancing performance potential.
IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
(2021)
Article
Chemistry, Analytical
Junbin Zang, Zheng Fan, Penglu Li, Xiaoya Duan, Chunsheng Wu, Danfeng Cui, Chenyang Xue
Summary: This article introduces a PMUT based on aluminum nitride thin-film material. The eigenfrequencies and transmission performance of the PMUT are studied through simulation, and the corresponding device is designed, fabricated, and tested.
Article
Computer Science, Artificial Intelligence
Said Kerrache
Summary: The problem of link prediction involves determining the likelihood of a connection between two nodes in a network, which is enabled by the inherent topological structure in most real-life networks. Significant research has been devoted to developing link prediction algorithms, but existing implementations often use different languages and modalities, which hinders their effective utilization.
PEERJ COMPUTER SCIENCE
(2021)
Article
Computer Science, Hardware & Architecture
Zi-Xuan Ma, Yu-Yang Jin, Shi-Zhi Tang, Hao-Jie Wang, Wei-Cheng Xue, Ji-Dong Zhai, Wei-Min Zheng
Summary: This paper presents a preliminary design of a performance-portable unified programming model, including four aspects: programming language, programming abstraction, compilation optimization, and scheduling system. Domain-specific languages introduce domain knowledge to optimize different applications and architectures. The unified programming abstraction unifies the common features of different architectures for common optimizations. Multi-level compilation optimization enables comprehensive performance optimization based on multi-level intermediate representations. The resource-aware lightweight runtime scheduling system improves the resource utilization of heterogeneous computers.
JOURNAL OF COMPUTER SCIENCE AND TECHNOLOGY
(2023)
Article
Computer Science, Information Systems
Weijie Wang, Yannan Liu, Zhenguo Zhao, Haijing Zhou
Summary: With the ongoing downsizing in feature sizes, the thermal impact on material properties and geometrical deformations cannot be overlooked in the analysis of electromagnetic compatibility or interference in package systems. This paper introduces a high-performance numerical simulation program for large-scale multiphysics simulations using the finite element method. The developed efficient domain decomposition method and multi-level parallelism significantly reduce computation time and enable parallel simulation with multiple processors.
Article
Engineering, Electrical & Electronic
Yayong Yang, Zhiqiang Wang, Yuxin Ge, Guoqing Xin, Xiaojie Shi
Summary: This article presents an automated field-circuit coupling simulation method for accurate and fast multiphysics cosimulation of multichip SiC power modules. The proposed method utilizes a MATLAB-based software interface to achieve automatic data transfer between COMSOL and PSpice, and employs a multirate and indirect coupling strategy to improve simulation accuracy and efficiency. Furthermore, a variable time step coupling analysis method based on the numerical solution of temperature coupling state variables is proposed to overcome the limitations of fixed time steps. Simulation and experimental results from a buck converter verify the effectiveness of the proposed field-circuit coupling cosimulation method.
IEEE TRANSACTIONS ON POWER ELECTRONICS
(2023)
Article
Computer Science, Hardware & Architecture
J. Austin Harris, Ran Chu, Sean M. Couch, Anshu Dubey, Eirik Endeve, Antigoni Georgiadou, Rajeev Jain, Daniel Kasen, M. P. Laiu, Oe B. Messer, Jared O'Neal, Michael A. Sandoval, Klaus Weide
Summary: The ExaStar project aims to deliver an efficient, versatile, and portable software ecosystem for multi-physics astrophysics simulations run on exascale machines. The code suite is built on the capabilities of current simulation codes and based on the massively parallel adaptive mesh refinement framework AMReX.
INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
(2022)
Article
Geosciences, Multidisciplinary
Jiashun Hu, Michael Gurnis, Johann Rudi, Georg Stadler, R. Dietmar Muller
Summary: Research shows that the formation of the Hawaiian-Emperor Bend 50 million years ago was the result of a combination of changes in Pacific Plate motion and hotspot drift due to mantle plume dynamics. By using plate reconstructions and global dynamic models, researchers found that the disappearance of the Izanagi Plate contributed to a sudden change in plate motion, accounting for about half of the Hawaiian-Emperor Bend.
Correction
Astronomy & Astrophysics
Haldan N. Cohn, Phyllis M. Lugger, Sean M. Couch, Jay Anderson, Adrienne M. Cool, Maureen van den Berg, Slavko Bogdanov, Craig O. Heinke, Jonathan E. Grindlay
ASTROPHYSICAL JOURNAL
(2022)
Article
Geochemistry & Geophysics
Johann Rudi, Michael Gurnis, Georg Stadler
Summary: This study uses plate motion data to constrain mantle parameters, deriving optimal rheological parameters and applying them to research in the Pacific region, resulting in specific stress values.
GEOPHYSICAL JOURNAL INTERNATIONAL
(2022)
Article
Astronomy & Astrophysics
Fernando Rivas, J. Austin Harris, W. Raphael Hix, E. Bronson Messer
Summary: Thermonuclear supernovae are the result of the violent unbinding of a white dwarf, and the explosion mechanism is still debated. Through simulations, it is found that higher resolution leads to easier observation of core compression detonation and different nucleosynthetic outcomes.
ASTROPHYSICAL JOURNAL
(2022)
Article
Physics, Nuclear
H. Schatz, A. D. Becerril Reyes, A. Best, E. F. Brown, K. Chatziioannou, K. A. Chipps, C. M. Deibel, R. Ezzeddine, D. K. Galloway, C. J. Hansen, F. Herwig, A. P. Ji, M. Lugaro, Z. Meisel, D. Norman, J. S. Read, L. F. Roberts, A. Spyrou, I Tews, F. X. Timmes, C. Travaglio, N. Vassh, C. Abia, P. Adsley, S. Agarwal, M. Aliotta, W. Aoki, A. Arcones, A. Aryan, A. Bandyopadhyay, A. Banu, D. W. Bardayan, J. Barnes, A. Bauswein, T. C. Beers, J. Bishop, T. Boztepe, B. Cote, M. E. Caplan, A. E. Champagne, J. A. Clark, M. Couder, A. Couture, S. E. de Mink, S. Debnath, R. J. deBoer, J. den Hartogh, P. Denissenkov, V Dexheimer, I Dillmann, J. E. Escher, M. A. Famiano, R. Farmer, R. Fisher, C. Frohlich, A. Frebel, C. Fryer, G. Fuller, A. K. Ganguly, S. Ghosh, B. K. Gibson, T. Gorda, K. N. Gourgouliatos, V Graber, M. Gupta, W. C. Haxton, A. Heger, W. R. Hix, W. C. G. Ho, E. M. Holmbeck, A. A. Hood, S. Huth, G. Imbriani, R. G. Izzard, R. Jain, H. Jayatissa, Z. Johnston, T. Kajino, A. Kankainen, G. G. Kiss, A. Kwiatkowski, M. La Cognata, A. M. Laird, L. Lamia, P. Landry, E. Laplace, K. D. Launey, D. Leahy, G. Leckenby, A. Lennarz, B. Longfellow, A. E. Lovell, W. G. Lynch, S. M. Lyons, K. Maeda, E. Masha, C. Matei, J. Merc, B. Messer, F. Montes, A. Mukherjee, M. R. Mumpower, D. Neto, B. Nevins, W. G. Newton, L. Q. Nguyen, K. Nishikawa, N. Nishimura, F. M. Nunes, W-J Ong, S. D. Pain, M. A. Pajkos, M. Pignatari, R. G. Pizzone, V. M. Placco, T. Plewa, B. Pritychenko, A. Psaltis, D. Puentes, Y-Z Qian, D. Radice, D. Rapagnani, B. M. Rebeiro, R. Reifarth, A. L. Richard, N. Rijal, I. U. Roederer, J. S. Rojo, Y. Saito, A. Schwenk, M. L. Sergi, R. S. Sidhu, A. Simon, T. Sivarani, M. S. Smith, A. Spiridon, T. M. Sprouse, S. Starrfield, A. W. Steiner, F. Strieder, I Sultana, R. Surman, T. Szucs, A. Tawfik, F. Thielemann, L. Trache, R. Trappitsch, M. B. Tsang, A. Tumino, S. Upadhyayula, J. O. Valle Martinez, M. Van der Swaelmen, Carlos Viscasillas Vazquez, A. Watts, B. Wehmeyer, M. Wiescher, C. Wrede, J. Yoon, R. G. T. Zegers, M. A. Zermane, M. Zingale, E. O'Connor, A. Skuladottir
Summary: This paper summarizes the progress and status of nuclear astrophysics, explores new open questions, and highlights the scientific opportunities that have emerged. It also discusses the unique challenges and opportunities in nuclear astrophysics in terms of science, diversity, education, and interdisciplinary collaboration.
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS
(2022)
Article
Astronomy & Astrophysics
Stephen W. Bruenn, Andre Sieverding, Eric J. Lentz, Tuguldur Sukhbold, W. Raphael Hix, Leah N. Huk, J. Austin Harris, O. E. Bronson Messer, Anthony Mezzacappa
Summary: In this study, the core-collapse evolution of two 15.8 M-? stars with different internal structures was compared, revealing significant differences in the times of explosion and explosion energies.
ASTROPHYSICAL JOURNAL
(2023)
Article
Astronomy & Astrophysics
Andre Sieverding, Preston G. Waldrop, J. Austin Harris, W. Raphael Hix, Eric J. Lentz, Stephen W. Bruenn, O. E. Bronson Messer
Summary: Theoretical study of core-collapse supernova explosions has shifted from simplified models to more realistic multidimensional simulations. Obtaining nucleosynthesis yields from these simulations is challenging and often involves using tracer particles. We compared different methods of reconstructing tracer particles and found that backward integration produced better agreement with inline results, especially for rare isotopes produced by few particle trajectories. Our recommendation is to use backward reconstruction until the last application of nuclear statistical equilibrium, with snapshot intervals of no more than 1 ms for nucleosynthesis post-processing.
ASTROPHYSICAL JOURNAL
(2023)
Article
Astronomy & Astrophysics
Brandon L. Barker, Evan P. O'Connor, Sean M. Couch
Summary: In a recent study, Barker et al. identified a strong correlation between the plateau luminosity of Type II-P core-collapse supernova light curves and the terminal iron-core mass of their progenitors. This correlation allows for the estimation of progenitor properties based on photometry alone. By analyzing a large observational sample and comparing it with stellar evolutionary models, the study found that the observed data contains high-mass iron cores, suggesting the presence of very massive progenitors. Based on the distribution of iron-core masses, the study inferred the minimum and maximum masses of progenitors in the observational data.
ASTROPHYSICAL JOURNAL LETTERS
(2023)
Article
Astronomy & Astrophysics
Anthony Mezzacappa, Pedro Marronetti, Ryan E. Landfield, Eric J. Lentz, R. Daniel Murphy, W. Raphael Hix, J. Austin Harris, Stephen W. Bruenn, John M. Blondin, O. E. Bronson Messer, Jordi Casanova, Luke L. Kronzer
Summary: We present predictions for gravitational wave emission based on three core collapse supernova simulations with different progenitor masses. The simulations cover a wide range of masses (9.6 to 25M(circle star)), nonrotating initial conditions, and metallicities (zero and solar). The high-frequency gravitational wave emission occurs at different times in the simulations, with the zero metallicity 9.6M0 progenitor model emitting high-frequency waves around 75 ms after bounce, while the solar metallicity 15M0 and zero metallicity 25M0 progenitor models emitting high-frequency waves around 125 ms or later. The low-frequency emission in all three models is similar and is caused by neutrino-driven convection and the standing accretion shock instability. The explosions occur at similar times in all three models, and the characteristic strains indicate that all three gravitational wave signals would be detectable by current-generation detectors for a supernova at a distance of 10 kpc.
Article
Computer Science, Interdisciplinary Applications
Anshu Dubey, Konrad Hinsen
Summary: Experimental and observational sciences have established robust practices for conducting experiments and maintaining instruments, while computational science has recently started addressing the quality of their instruments, software, and scientific output. Existing software engineering literature mostly focuses on enterprise software, requiring adjustments for scientific software applications. This article offers an updated list of suggestions to keep up with the rapid changes in the computing industry.
COMPUTING IN SCIENCE & ENGINEERING
(2022)
Proceedings Paper
Computer Science, Theory & Methods
Jared O'Neal, Mohamed Wahib, Anshu Dubey, Klaus Weide, Tom Klosterman, Johann Rudi
Summary: This paper presents an approach that targets heterogeneous systems through domain-specific runtimes to reduce overall execution time. Challenges of existing general task-based runtime systems, such as overheads and abstraction complexity, are addressed. The pipeline-based design leverages domain-specific knowledge to pragmatically orchestrate computations and promising performance results are shown.
EURO-PAR 2021: PARALLEL PROCESSING WORKSHOPS
(2022)
