Article
Engineering, Multidisciplinary
Sihao Li, Tian Gao, Zhipeng Ye, Yaxing Wang
Summary: A mobile ad hoc network is a complex distributed system organized by mobile terminals or wireless nodes through wireless connections, where nodes can move and maintain connections when connecting or leaving. Routing technology is crucial in wireless networks, especially in a dynamic network like a mobile ad hoc network.
ALEXANDRIA ENGINEERING JOURNAL
(2022)
Article
Environmental Sciences
Bingyu Zhao, Wanping Yang
Summary: This study proposes a novel allocation framework, dual level allocation scheme incorporated with genetic algorithm (DLA-GA), which evaluates the CO2 emission performance of various sectors and achieves lower cost and higher overall sectoral performance. Through utilization of En-Lorenz and En-Gini coefficients, it has been found that higher allocation equity among sectors emerges via DLA-GA. The research contributes to enriching the methodologies in carbon emission allowance allocation and provides useful references for policymakers in reaching the 2030 carbon reduction target.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Physics, Fluids & Plasmas
Xuan Ruan, Shuiqing Li
Summary: By using simulations, it was found that the electrostatic interactions caused by particle charging and polarization drive re-agglomeration of dense agglomerates after collision, reducing the degree of fragmentation. The influence of electrostatic force is most significant at a moderate incident velocity, where the shattered fragments are attracted back to the agglomerate by long-range electrostatic force.
Article
Materials Science, Multidisciplinary
Jianye Gao, Jiao Ye, Huimin Zhang, Zerong Xing, Xiaohong Wang, Jing Liu
Summary: This paper presents the creation of biotissue-like agglomerates using water and liquid metals, which display versatile rhythmic behaviors. The agglomerates are capable of floating intact in solution and exhibit rhythmic variations in physical properties. This is attributed to the reversible redox behaviors ignited by bioelectrical signals. Further experiments reveal the roles of liquid matter in the formation and rhythmic capabilities of the agglomerates. This research offers a universal paradigm for simulating the rhythmic behaviors of biological tissues using inorganic systems, acting as a starting point for bridging artificial matter with natural biotissues.
Article
Astronomy & Astrophysics
Konrad J. Kossacki, Marcin Wesolowski, Slawomira Szutowicz, Tomasz Mikolajkow
Summary: In this work, we experimentally verify different methods for calculating the rate of outgassing of cometary analogues. We investigate new and known formulations for the mass flux of water vapor from mixtures of ice agglomerates. Experiments are performed using samples composed of different ice agglomerates, including both approximately uniform agglomerates and hierarchical structures. The findings suggest that the pressure of vapor between agglomerates is close to phase equilibrium pressure at temperatures above 200 K, and it shows some temperature dependence. We propose suitable functions and present a method for calculating the lifetime of large centimeter-sized porous ice-dust particles in cometary comae.
Article
Cell Biology
Jiro Miyamae, Masaharu Okano, Fumihiko Katakura, Jerzy K. Kulski, Tadaaki Moritomo, Takashi Shiina
Summary: Polymorphisms and genetic diversity of DLA-88, DLA-12/88L, and DLA-DRB1 loci were examined in 829 dogs of 59 breeds in Japan. Multiple alleles and various 88-12/88L-DRB1 haplotypes were detected. The findings suggest that high DLA homozygosity rate and low DLA diversity within a breed are beneficial for transplantation therapy but may affect biological fitness as homozygosity progresses.
Article
Construction & Building Technology
Fenghua Nie, Wei Jian, Zechuan Yu, Cheuk Lun Chow, Denvid Lau
Summary: In this study, a new coarse-grained model is developed to investigate the formation of aggregated microstructures in asphaltene. The results show that asphaltene disks gradually adjust their positions and orientations during equilibrium process, forming columnar structures containing packed asphaltene disks. The packing fraction and microstructures are influenced by the aspect ratio, temperature, and pressure of asphaltene disks. This coarse-grained model helps understand the formation mechanism of asphaltene agglomerates and provides insights for solving aggregation problems in asphaltene systems.
CONSTRUCTION AND BUILDING MATERIALS
(2023)
Article
Mathematics, Interdisciplinary Applications
Thanh-Trung Vo
Summary: The study focuses on erosion dynamics of wet particle agglomerates in a simple shear flow of noncohesive granular materials using three-dimensional discrete-element simulations. Results show that the erosion rate increases proportionally to the inertial number and the height of the agglomerates decreases linearly with liquid content and viscosity, while being nearly independent of relative dry-wet density at low shear rates.
COMPUTATIONAL PARTICLE MECHANICS
(2021)
Article
Geochemistry & Geophysics
Lingjun Li, Junwei Han, Xiwen Yao, Gong Cheng, Lei Guo
Summary: In this article, we propose an end-to-end network called discriminative learning of adaptive match network (DLA-MatchNet) to enhance few-shot remote sensing image scene classification. By utilizing attention technique and adaptive matching, our method automatically discovers discriminative regions and selects semantically relevant sample pairs, respectively. Experimental results show the effectiveness of our model in tackling the challenges of few-shot scene classification in remote sensing images.
IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING
(2021)
Article
Cell Biology
Yujiao Sun, Lizhen Ma, Shen Li, Yawen Wang, Ruiqi Xiao, Junqi Yang, Johannes M. M. Dijkstra, Chun Xia
Summary: The DLA-88 gene in dogs is divided into two categories, DLA-88*0 and DLA-88*5, with the defining difference being the presence or absence of an LQW motif. This study determined the structure of DLA-88*0 category using X-ray crystallography and suggested that the distribution pattern of the LQW motif may play a role in immune selection against transmissible cancers.
Article
Engineering, Chemical
Hongsheng Chen, Wenwei Liu, Zhong Zheng, Shuiqing Li
Summary: Numerical simulations in this study have shown that the impact of wet agglomerates on solid surfaces typically involves four stages - compression, expansion, fragmentation, and re-agglomeration. The expanding radius and number of fragments increase exponentially and follow a power-law with impact velocity, respectively. Liquid bridge interactions result in chain-like structures beyond the impact zone, similar to those seen in dense suspension droplets. Impact behaviors can generally be classified into four groups based on impact velocity.
Article
Chemistry, Multidisciplinary
Lian Duan, Zhixun Xia, Binbin Chen, Likun Ma, Yunchao Feng, Jiarui Zhang, Jianxin Hu
Summary: This study aims to develop a numerical model that accurately describes the ignition of boron agglomerates. Based on the single-particle ignition model proposed by the group of Kuo, the model introduces Thiele modulus and effectiveness factor to represent the diffusion resistance of reaction gases in the pores of boron agglomerates. Through comparison with experimental data, the ignition time results of the model show reasonable consistency. The established model can be further used to investigate the ignition mechanisms and characteristics of boron agglomerates.
Article
Engineering, Environmental
Georgios A. Kelesidis, David Neubauer, Liang-Shih Fan, Ulrike Lohmann, Sotiris E. Pratsinis
Summary: The climate models may significantly underestimate the direct radiative forcing impact of black carbon (BC) due to their assumption of spherical BC morphology. However, simulations considering the realistic morphology and coatings of BC reveal high direct radiative forcing in East Asia, South Asia, sub-Saharan Africa, Western Africa, and the Arabian peninsula, indicating a significant regional climate warming contribution solely due to BC emissions.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Review
Pharmacology & Pharmacy
Nazurah Binti Sazali, Lai Wah Chan, Tin Wui Wong
Summary: Nanoscale medicine has the potential for targeted drug delivery, but there are challenges in processing and administration. Agglomeration and compaction techniques are used to overcome the aggregation and poor flowability of nanoparticles, but there are risks of altering their geometry and surface chemistry. This study reviews the risk factors and discusses ways to modulate the effects of material, formulation, processing, and environmental variables to maintain the physicochemical and biological behavior of nanoparticles during agglomeration and compaction.
ASIAN JOURNAL OF PHARMACEUTICAL SCIENCES
(2023)
Article
Engineering, Chemical
Jiawei Hu, Ling Zhang, Chuan-Yu Wu
Summary: In this study, three-dimensional diametrical compression tests of annular agglomerates with various bonding strengths were modeled using the Discrete Element Method (DEM) with the JKR theory. The fracture patterns and tensile strengths of annular specimens were analyzed and compared with those of disc specimens. It was found that annular specimens exhibited complete tension failures with progressive fractures, while disc specimens showed wedge-shaped shear fractures. The results also demonstrated that the tensile strengths of annular specimens were linear with the surface energy and correlated positively with the size of internal hole, and then inversely correlated with the size of internal hole. Additionally, a dimensionless parameter was introduced to analyze the failure mechanism, emphasizing the crucial influence of the internal hole size and bonding capacity on the tensile strength of annular agglomerates.
Article
Engineering, Chemical
Fuweng Zhang, Damiano La Zara, Feilong Sun, Michael J. Quayle, Gunilla Petersson, Staffan Folestad, J. Ruud van Ommen
Summary: The study investigated the fluidization of fine inhalation grade of lactose powders and found that a combination of vibration and micro-jet showed the best performance in improving fluidization. Using any two assisting methods together leads to better fluidization, with micro-jet resulting in considerable powder losses. Overall, the introduction of assistance methods enhanced separation forces and decreased agglomerate size.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Amirhossein Mahtabani, Damiano La Zara, Rafal Anyszka, Xiaozhen He, Mika Paajanen, J. Ruud van Ommen, Wilma Dierkes, Anke Blume
Summary: The gas-phase modification process improved control over the thickness and uniformity of the deposited layers on nanoparticles, allowing for the introduction of versatile functionalized organic layers on the surface of nanoparticles in a controlled manner.
Article
Nanoscience & Nanotechnology
Dominik Benz, Y-Nhi T. Nguyen, Thanh-Lieu T. Le, Thanh-Hiep T. Le, Viet-Thong Le, J. Ruud van Ommen, Hao Van Bui
Summary: This study introduces a gas-phase approach for synthesizing Cu2O/TiO2 powder-based photocatalysts using atomic layer deposition (ALD) in a fluidized bed reactor. The deposition of ultrasmall Cu2O clusters on P25 TiO2 nanoparticles enhances the photocatalytic activity significantly, attributed to efficient charge transfer and reduced charge recombination. The study provides a fast, scalable, and efficient process for controllably depositing Cu2O clusters for surface engineering.
Article
Environmental Sciences
Pieter van Gelder, Pim Klaassen, Behnam Taebi, Bart Walhout, Ruud van Ommen, Ibo van de Poel, Zoe Robaey, Lotte Asveld, Ruud Balkenende, Frank Hollmann, Erik Jan van Kampen, Nima Khakzad, Robbert Krebbers, Jos de Lange, Wolter Pieters, Karel Terwel, Eelco Visser, Tiny van der Werff, Dick Jung
Summary: This paper provides an overview of the concept and application of Safe-by-Design in various engineering disciplines, discussing differences, commonalities, and empirical data on design strategies. Safe-by-Design is considered a specific elaboration of Responsible Research and Innovation, helping to proactively incorporate safety considerations into engineering practices while avoiding extremes of technological optimism and disproportionate precaution.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL RESEARCH AND PUBLIC HEALTH
(2021)
Article
Environmental Sciences
Georgios Archimidis Tsalidis, Lya G. Soeteman-Hernandez, Cornelle W. Noorlander, Saeed Saedy, J. Ruud van Ommen, Martina G. Vijver, Gijsbert Korevaar
Summary: Safe-and-sustainable-by-design is a concept that integrates safety, sustainability, and functionality throughout a product's life cycle. This paper proposes a framework for early safety and sustainability assessment based on prospective life cycle assessment. The framework helps identify environmental sustainability and toxicity hotspots to avoid the development of toxic alternatives.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL RESEARCH AND PUBLIC HEALTH
(2022)
Article
Chemistry, Multidisciplinary
Isabell Bagemihl, Chaitanya Bhatraju, J. Ruud van Ommen, Volkert van Steijn
Summary: This paper demonstrates that structured reactors operated under gas-liquid Taylor flow can overcome the mass transfer limitations in CO2 electrolysis in aqueous systems and significantly improve reactor performance. By developing an easy-to-use analytical model, the relationship between process conditions, mass transfer, and reactor performance is explored. The results show that the film thickness and the volume ratio of CO2/electrolyte fed to the reactor greatly affect the current density and the faradaic efficiency, and industrially relevant performance can be achieved when operating the reactor at an elevated pressure beyond 5 bar.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Materials Science, Ceramics
Yujie Zhao, Xiao Wang, Quan-an Li, Xinyu Zhang, Ye Li, Rong-Jun Xie, J. Ruud van Ommen, H. T. Hintzen
Summary: Depositing nano-sized Al2O3 film around each BaSi2O2N2:Eu2+ particle through atomic layer deposition (ALD) can improve its thermal stability and inhibit oxidation. The Al2O3 coated phosphor showed an increased oxidation temperature and reduced degradation under water-steam conditions. White light-emitting diodes (wLEDs) fabricated with the Al2O3 coated phosphor also exhibited a significantly higher luminous flux.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Asvin Sajeev Kumar, Marilia Pupo, Kostadin V. Petrov, Mahinder Ramdin, J. Ruud van Ommen, Wiebren de Jong, Ruud Kortlever
Summary: This study investigates the electrochemical CO2 reduction performance of copper in non-aqueous electrolytes based on DMF, NMP, and ACN. The results show that DMF and NMP mainly produce oxalate, while ACN mainly produces hydrogen and formate. Therefore, aqueous electrolytes exhibit higher selectivity for hydrocarbon and alcohol production on copper electrodes, while organic electrolytes based on DMF and NMP are more suitable for obtaining oxalate and formate.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Biochemistry & Molecular Biology
Sunkeun Kim, Wilma K. Dierkes, Anke Blume, Auke Talma, J. Ruud Van Ommen, Nicolas Courtois, Julian Davin, Carla Recker, Julia Schoeffel
Summary: This study investigates the compatibility of pre-treated silica with natural rubber and its influence on the processing of silica-silane compounds. The results show that incorporating pre-treated silica fillers can improve the processing and reduce the generation of volatile organic compounds.
Article
Chemistry, Multidisciplinary
Isabell Bagemihl, Lucas Cammann, Mar Perez-Fortes, Volkert van Steijn, J. Ruud van Ommen
Summary: Coupling the analysis of technical feasibility with economic evaluation is crucial in identifying targets for development in electrochemical CO2 conversion processes. Electrochemical conversion of captured CO2 to base chemicals has the potential to contribute to a sustainable energy transition by closing the carbon cycle. While low-temperature electrochemical CO2 conversion has been demonstrated at lab scale, optimizing electrolyzer design and operation for industrial applications based on techno-economic analysis is the current focus. However, existing analyses often overlook the interdependencies between key performance variables, such as current density, Faradaic efficiency, and conversion. Our study highlights the significance of multiscale models in the field of CO2 electrolysis to understand the economic trade-offs and overcome bottlenecks in system designs.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Riccardo Uglietti, Daniele Micale, Damiano La Zara, Aristeidis Goulas, Luca Nardi, Mauro Bracconi, J. Ruud van Ommen, Matteo Maestri
Summary: This study demonstrates the potential of combining numerical and experimental approaches in understanding catalytic reactors, particularly fluidized beds. Through experiments and data analysis, the effectiveness of the in-house first-principles multiscale Computational Fluid Dynamic-Discrete Element Method (CFD-DEM) model is validated, and the fundamental insights that can be achieved through detailed numerical methods are reported. The integration of experimental information and numerical simulations allows for optimal design and scale-up procedures for reactor configurations with promising prospects in the energy transition.
REACTION CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Physical
Jacob A. Moulijn, J. Ruud van Ommen, Aristeidis Goulas, David Valdesueiro, Jana Juan-Alcaniz, Kar-Ming Au-Yeung, Leo Woning, Jaap A. Bergwerff
Summary: The possibility of using a Ti alkoxide precursor for gas phase deposition to modify catalysts was demonstrated. A Ti oxide layer was successfully deposited on a mesoporous alumina support using titanium tetra-isopropoxide. The uniformity of the TiO2 coating was confirmed at both intra-particle and inter-particle levels. The TiO2 coating showed stability and improved catalytic activity in hydroprocessing compared to pristine alumina.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Albert Santoso, Afke Damen, J. Ruud van Ommen, Volkert van Steijn
Summary: We investigated three variations of atomic layer deposition (ALD) for depositing titanium oxide onto the soft polymer polydimethylsiloxane (PDMS). Our findings demonstrate that ALD performed at atmospheric pressure significantly enhances the organic solvent resistance of PDMS by two orders of magnitude, resulting in a unique surface-subsurface coating of PDMS.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Saeed Saedy, Nico Hiemstra, Dominik Benz, Hao Van Bui, Michael Nolan, J. Ruud van Ommen
Summary: The promotional effects of ALD-deposited CuxO clusters on photocatalytic hydrogen production on P25 TiO2 were studied. It was found that the strong interaction between CuxO and TiO2 resulted in the stabilization of CuxO clusters on the surface. The CuxO/TiO2 photocatalysts showed remarkable improvement in hydrogen productivity, which can be attributed to increased charge carrier separation, improved light absorption, and the generation of surface Ti3+.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Engineering, Environmental
Dominik Benz, Hao Van Bui, Hubertus T. Hintzen, Michiel T. Kreutzer, J. Ruud Van Ommen
Summary: The photocatalytic mechanism of TiO2 nanoparticles coated with SiO2 by atomic layer deposition was investigated. SiO2 deposition not only improves the photocatalytic degradation of pollutants, but also changes the degradation mechanism. Low SiO2 loadings enhance OH* radicals generation, while high loadings suppress the photocatalytic performance.
CHEMICAL ENGINEERING JOURNAL ADVANCES
(2022)
Article
Computer Science, Interdisciplinary Applications
Usman Riaz, E. Seegyoung Seol, Robert Hager, Mark S. Shephard
Summary: The accurate representation and effective discretization of a problem domain into a mesh are crucial for achieving high-quality simulation results and computational efficiency. This work presents recent developments in extending an automated tokamak modeling and meshing infrastructure to better support the near flux field following meshing requirements of the XGC Gyro-kinetic Code.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Zhenglu Li, Gabriel Antonius, Yang-Hao Chan, Steven G. Louie
Summary: This article presents a workflow for practical calculations of electron-phonon coupling and includes the effect of many-electron correlations using GW perturbation theory. The workflow combines different software packages to enable accurate calculations at the level of quasiparticle band structures.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Akihiro Koide, Sara Rabouli, Pierre Le Meur, Sylvain Tricot, Philippe Schieffer, Didier Sebilleau, Calogero R. Natoli
Summary: We present the MsSpec Atomic Scattering Amplitude Package (MASAP), which includes a computation program and a graphical interface for generating atomic scattering amplitude (ASA). The study investigates the applicability of plane wave (PW) and curved spherical wave (SW) scattering in describing electron propagation. The results show that the imaginary part of the optical potential enhances the elastic scattering in the forward direction but causes damping effects in other directions.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
A. Bagci, Gustavo A. Aucar
Summary: The electron repulsion integrals over Slater-type orbitals with non-integer principal quantum numbers are investigated in this study. These integrals are important in calculations of many-electron systems. New relationships free from hyper-geometric functions are derived to simplify the calculations. With the use of auxiliary functions and straightforward recurrence relationships, these integrals can be efficiently computed, providing initial conditions for the evaluation of expectation values and potentials.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Andrzej Daniluk
Summary: RHEED_DIFF_2D is an open-source software for qualitative numerical simulations of RHEED oscillation intensity changes with layer deposition, used for interpreting heteroepitaxial structures under different scattering crystal potential models.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Niklas Kuehl, Hendrik Fischer, Michael Hinze, Thomas Rung
Summary: The article presents a strategy and algorithm for simulation-accompanying, incremental Singular Value Decomposition (SVD) for time-evolving, spatially parallel discrete data sets. The proposed method improves computational efficiency by introducing a bunch matrix, resulting in higher accuracy and practical applicability.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Jose M. Rodriguez-Borbon, Xian Wang, Adrian P. Dieguez, Khaled Z. Ibrahim, Bryan M. Wong
Summary: This paper presents an open-source software package called TRAVOLTA for massively parallelized quantum optimal control calculations on GPUs. The TRAVOLTA package is an improvement on the previous NIC-CAGE algorithm and incorporates algorithmic improvements for faster convergence. Three different variants of GPU parallelization are examined to evaluate their performance in constructing optimal control fields in various quantum systems. The benchmarks show that the GPU-enhanced TRAVOLTA code produces the same results as previous CPU-based algorithms but with a speedup of more than ten times. The GPU enhancements and algorithmic improvements allow large quantum optimal control calculations to be efficiently executed on modern multi-core computational hardware.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Weijie Hua
Summary: This work introduces a program called MCNOX for computing and analyzing ultrafast nonlinear X-ray spectra. It is designed for cutting-edge applications in photochemistry/photophysics enabled by X-ray free-electron lasers and high harmonic generation light sources. The program can calculate steady-state X-ray absorption spectroscopy and three types of ultrafast nonlinear X-ray spectra, and it is capable of identifying major electronic transitions and providing physical and chemical insights from complex signals.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Leandro Benatto, Omar Mesquita, Lucimara S. Roman, Rodrigo B. Capaz, Graziani Candiotto, Marlus Koehler
Summary: Photoluminescence Quenching Simulator (PLQ-Sim) is a user-friendly software for studying the dynamics of photoexcited states at the interface between organic semiconductors. It provides important information on organic photovoltaic and photothermal devices and calculates transfer rates and quenching efficiency.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Dongming Li, James Kestyn, Eric Polizzi
Summary: This study introduces a practical and efficient approach to calculate the all-electron full potential band structure in real space using a finite element basis. Instead of the k-space method, this method solves the Kohn-Sham equation self-consistently within a larger finite system enclosing the unit-cell. Non-self-consistent calculations are then performed in the Brillouin zone to obtain the band structure results, which are found to be in excellent agreement with the pseudopotential k-space method. Furthermore, the study successfully observes the band bending of core electrons.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
R. Kleiber, M. Borchardt, R. Hatzky, A. Koenies, H. Leyh, A. Mishchenko, J. Riemann, C. Slaby, J. M. Garcia-Regana, E. Sanchez, M. Cole
Summary: This paper describes the current state of the EUTERPE code, focusing on the implemented models and their numerical implementation. The code is capable of solving the multi-species electromagnetic gyrokinetic equations in a three-dimensional domain. It utilizes noise reduction techniques and grid resolution transformation for efficient computation. Additionally, various hybrid models are implemented for comparison and the study of plasma-particle interactions. The code is parallelized for high scalability on multiple CPUs.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Pengliang Yang
Summary: This paper presents an open source software called SMIwiz, which combines seismic modelling, reverse time migration, and full waveform inversion into a unified computer implementation. SMIwiz supports both 2D and 3D simulations and provides various computational recipes for efficient calculation. Its independent processing and batchwise job scheduling ensure scalability, and its viability is demonstrated through applications on benchmark models.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Christian Tantardini, Miroslav Ilias, Matteo Giantomassi, Alexander G. Kvashnin, Valeria Pershina, Xavier Gonze
Summary: Material discovery has been an active research field, and this study focuses on developing pseudopotentials for actinides and super-heavy elements. These pseudopotentials are crucial for accurate first-principles calculations and simulations.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
S. Blanes, F. Casas, C. Gonzalez, M. Thalhammer
Summary: This paper explores the extension of modified potential operator splitting methods to specific classes of nonlinear evolution equations. Numerical experiments confirm the advantages of the proposed fourth-order modified operator splitting method over traditional splitting methods in dealing with Gross-Pitaevskii systems.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
Article
Computer Science, Interdisciplinary Applications
Siegfried Kaidisch, Thomas U. Hilger, Andreas Krassnigg, Wolfgang Lucha
Summary: Motivated by a use case in theoretical hadron physics, this paper revisits an application of a pole-sum fit to dressing functions of a confined quark propagator. Specifically, it investigates approaches to determine the number and positions of singularities closest to the origin for a function known numerically on a specific grid on the positive real axis. Comparing the efficiency of standard techniques to a pure artificial-neural-network approach and a combination of both, it finds that the combined approach is more efficient. This approach can be applied to similar situations where the positions of poles need to be estimated quickly and reliably from real-axis information alone.
COMPUTER PHYSICS COMMUNICATIONS
(2024)
