Article
Physics, Fluids & Plasmas
I Simonovic, D. Bosnjakovic, Z. Lj Petrovic, R. D. White, S. Dujko
Summary: Using a multi-term solution of the Boltzmann equation and Monte Carlo simulation, this study investigates the behavior of third-order transport coefficients for electrons in model gases and real gases. Negative values are observed in certain cases, and the accuracy of approximation methods is also examined. The influence of electron attachment and ionization on the transport tensor is analyzed, and the contribution of the third-order transport tensor to the swarm's spatial profile is investigated.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Multidisciplinary
Yan Liu, Ping Wang, Ting Yang, Qian Wu, Yintang Yang, Zhiyong Zhang
Summary: The electron transport properties of beta-(Al-x Ga1-x)(2)O-3/Ga2O3 heterostructures were investigated using Monte Carlo simulation, and it was found to have good electron mobility under high electric fields.
Article
Thermodynamics
Xin Ran, Moran Wang
Summary: A steady-state Monte Carlo scheme for phonon transport based on the energy-based deviational phonon Boltzmann transport equation has been developed. This method determines the paths of energy packets through statistical scattering probability and is capable of handling systems with arbitrary temperature differences. It has been verified and shown to improve computational efficiency compared to transient algorithms for steady phonon transport.
JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME
(2022)
Article
Physics, Fluids & Plasmas
M. J. E. Casey, P. W. Stokes, D. G. Cocks, D. Bosnjakovic, I Simonovic, M. J. Brunger, S. Dujko, Z. Lj Petrovic, R. E. Robson, R. D. White
Summary: This paper discusses the analysis of transport properties in the pulsed-Townsend experiment, revealing flaws in the traditional Brambring representation. A re-analysis method based on the standard diffusion equation and a representation of universal bulk transport coefficients are presented.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2021)
Article
Computer Science, Information Systems
Alexandra Blanch-Fortuna, David Zambrano-Prada, Martin Gallego-Casals, Luis Martinez-Salamero
Summary: This report presents an analysis, study, and simulation of an ultrafast charging station for electric vehicles operating in steady state. It introduces a supervisory control method based on a state machine description and proposes different methods to handle the required energy for the charging demand. Experimental results show that a SCADA supervision with CAN communication successfully collects and displays data corresponding to charge and discharge modes.
Article
Materials Science, Multidisciplinary
Farjana Ferdous Tonni, Kazuaki Yazawa, Ali Shakouri, Mona Zebarjadi
Summary: We propose a new thermodynamic cycle in the solid-state regime and conduct Monte-Carlo simulations and analyses. This cycle is fundamentally different from traditional solid-state thermoelectric or thermionic generators. It involves the compression, heating, and release of an electronic gas, with part of the energy being delivered to a load and part being rejected to the lattice. Unlike Carnot efficiency, its efficiency is not limited due to the non-equilibrium and transient nature of the device.
MATERIALS TODAY PHYSICS
(2023)
Article
Physics, Multidisciplinary
Timothy Foldes, Antony Lesage, Maria Barbi
Summary: This study reexamines the coil-globule transition of a polymer from a spectral perspective, introducing a new possibility and reintroducing overlooked mature spectral methods. This method not only allows for the determination of the polymer state without information about polymer length or interaction strength, but also proposes an experimental implementation.
PHYSICAL REVIEW LETTERS
(2021)
Article
Physics, Applied
A. Longo, B. Notebaert, A. Chevillot, M. Gaceur, R. Messina, A. Durnez, T. Baptiste, C. Dupuis, A. Madouri, N. Battaglini, S. Ammar
Summary: By exploiting the configuration of an alternate-current thin-film electroluminescent device, we achieved light emission through a mechanism of local charge creation and transport, paving the way for cost-effective deposition methods for the active layer and providing insights for the development of non-toxic quantum-dot-based displays.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Engineering, Electrical & Electronic
Anup Kumar Mandia, Bhaskaran Muralidharan, Seung Cheol Lee, Satadeep Bhattacharjee
Summary: The study provides a detailed investigation of electronic transport in In0.52Al0.48As, extracting important parameters and showing characteristics of transient electronic transport and optimization strategies. Results indicate that transient effects significantly impact devices with shorter lengths and should be taken into consideration in device design.
JOURNAL OF ELECTRONIC MATERIALS
(2021)
Article
Engineering, Chemical
Rui Liu, Xiaowen Lin, Antonios Armaou, Xi Chen
Summary: In this study, a multistep method for steady-state Monte Carlo simulation is proposed, which accurately predicts processes with different polymerization mechanisms by introducing the buffer pool concept.
Article
Physics, Multidisciplinary
Chao Zhang, Barbara Capogrosso-Sansone, Massimo Boninsegni, Nikolay V. Prokofev, Boris V. Svistunov
Summary: We present results of numerically exact simulations of the Bose one-component plasma, i.e., a Bose gas with pairwise Coulomb interactions among particles and a uniform neutralizing background. We compute the superconducting transition temperature for a wide range of densities, in two and three dimensions, for both continuous and lattice versions of the model. The Coulomb potential causes the weakly interacting limit to be approached at high density, but gives rise to no qualitatively different behavior, vis-à-vis the superfluid transition, with respect to short-ranged interactions. Our results are of direct relevance to quantitative studies of bipolaron mechanisms of (high-temperature) superconductivity.
PHYSICAL REVIEW LETTERS
(2023)
Article
Physics, Fluids & Plasmas
S. Kawaguchi, K. Takahashi, K. Satoh
Summary: A proposed electron collision cross section set for N-2 is calculated using Monte Carlo method with consideration of anisotropic inelastic electron scattering. The reliability of the set is verified by comparing calculated and measured electron transport coefficients. It is found that electron transport coefficients in N-2 are significantly influenced by anisotropic electron scattering as E/N values increase.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2021)
Article
Materials Science, Multidisciplinary
Bruno Murta, J. Fernandez-Rossier
Summary: Determining the ground state of quantum many-body systems with digital quantum computers requires a well-educated guess for initialization. Physically motivated Ansätze on quantum hardware are crucial for achieving quantum advantage in simulating correlated electrons. The successful generation of the Gutzwiller wave function (GWF) through quantum routines hinges on factors like lattice size and interaction strength, with discussion on quantum circuit metrics scaling and integration in general quantum simulation algorithms.
Article
Physics, Applied
Teppei Miyoshi, Dayan Ban
Summary: This study investigates the impact of ionized-impurity and electron-electron scatterings on THz quantum cascade lasers (QCLs) device characteristics through rate equation simulation, improving calculation efficiency and highlighting the varying influence of Coulomb scatterings on different device structures.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Physical
Soohaeng Yoo Willow, Lulu Kang, David D. L. Minh
Summary: Targeted free energy perturbation method utilizes an invertible mapping to enhance configuration space overlap and the convergence of free energy estimates. This study demonstrates the use of machine learning to train deep neural networks for mapping Boltzmann distributions across different thermodynamic states. The results show that accurate free energy differences between thermodynamic states with spring centers separated by 1 angstrom and sometimes 2 angstrom can be calculated when the neural network is trained until early stopping. However, for more distant thermodynamic states, the mapping fails to generate structures representative of the target state, leading to the inability to reproduce reference calculations.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
P. W. Stokes, R. D. White, R. P. McEachran, F. Blanco, G. Garcia, M. J. Brunger
Summary: By applying optical potential and relativistic optical potential models, positron scattering from gas-phase zinc and cadmium was investigated. Recommended positron cross section datasets were constructed and used to simulate the transport of positrons under the influence of an external electric field, revealing qualitatively similar behavior in transport coefficients between both species. Comparison of the present positron transport coefficients with electron transport coefficients in the case of zinc showed significant differences.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
(2021)
Article
Optics
Zoran Lj Petrovic, Olivera Sasic, Snjezana Dupljanin, Paul Maguire
Summary: In this paper, a set of cross sections for electron collisions with DME is discussed and analyzed using experimental data. The derived data can be used for modeling DC and RF discharges and plasma applications containing pure DME and its mixtures.
EUROPEAN PHYSICAL JOURNAL D
(2022)
Article
Optics
A. Garcia-Abenza, A. Lozano, L. Alvarez, J. C. Oller, F. Blanco, P. Stokes, R. D. White, J. de Urquijo, P. Limao-Vieira, D. B. Jones, M. J. Brunger, G. Garcia
Summary: A self-consistent data set for Monte Carlo simulations of electron transport through gaseous tetrahydrofuran (THF) in the energy range of 1-100 eV has been compiled and validated using accurate measurements of total electron scattering cross sections (TCSs). Monte Carlo simulations of electron transport through a gas cell containing THF were performed for different beam energies and pressures, and compared with experimental data to assess the accuracy of the proposed data set.
EUROPEAN PHYSICAL JOURNAL D
(2021)
Article
Optics
Andrea Jurov, Nikola Skoro, Kosta Spasic, Martina Modic, Natasa Hojnik, Danijela Vujosevic, Milena Durovic, Zoran Lj Petrovic, Uros Cvelbar
Summary: Atmospheric pressure plasmas are being studied for their effects on microbial deactivation. The research focuses on optimizing the parameters of atmospheric pressure plasma jet (APPJ) to deactivate different bacteria strains in a medium. Diagnostic methods such as optical and electrical plasma jet diagnostics were used to understand the properties of plasma and the connection between reactive species in the gas and liquid phases. The study found that higher discharge powers and gas flow rates were more efficient in deactivating bacteria.
EUROPEAN PHYSICAL JOURNAL D
(2022)
Article
Geosciences, Multidisciplinary
C. Koehn, O. Chanrion, M. Bodker Enghoff, S. Dujko
Summary: The Miller-Urey experiment suggests that lightning may have played a role in the origin of life on Earth by generating amino acids and carbon acids. Simulations indicate that discharges on Primordial Earth might have been more challenging to initiate.
GEOPHYSICAL RESEARCH LETTERS
(2022)
Article
Physics, Fluids & Plasmas
I Simonovic, D. Bosnjakovic, Z. Lj Petrovic, R. D. White, S. Dujko
Summary: Using a multi-term solution of the Boltzmann equation and Monte Carlo simulation, this study investigates the behavior of third-order transport coefficients for electrons in model gases and real gases. Negative values are observed in certain cases, and the accuracy of approximation methods is also examined. The influence of electron attachment and ionization on the transport tensor is analyzed, and the contribution of the third-order transport tensor to the swarm's spatial profile is investigated.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Fluids & Plasmas
Dejan Maletic, Dean Popovic, Nevena Puac, Zoran Lj Petrovic, Slobodan Milosevic
Summary: This paper compares the fast Intensified Charge Coupled Device (ICCD) imaging with the newly developed diagnostic method of laser induced breakdown in plasma jet. The results show that laser induced breakdown spectroscopy can be used as a complementary diagnostics technique with ICCD measurements.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Fluids & Plasmas
S. Dujko, J. Atic, D. Bosnjakovic, R. D. White, P. Stokes, K. R. Hamilton, O. Zatsarinny, K. Bartschat, M. S. Rabasovic, D. Sevic, B. P. Marinkovic, D. Fursa, I Bray, R. P. McEachran, F. Blanco, G. Garcia, D. B. Jones, L. Campbell, M. J. Brunger
Summary: The study investigates the transport of electrons and propagation of negative ionisation fronts in indium vapour, revealing that the spatial relaxation of electrons is sensitive to the indium vapor temperature and initial conditions. The presence of indium atoms significantly affects the characteristics of the negative ionisation fronts in the vapor.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Dale L. Muccignat, Peter W. Stokes, Daniel G. Cocks, Jason R. Gascooke, Darryl B. Jones, Michael J. Brunger, Ronald D. White
Summary: This study proposes a method to extract electron-liquid phase cross-sections through measuring energy loss spectra of scattered electrons. Machine learning techniques and Monte Carlo simulation are used to invert the data and extract the cross-sections. The accuracy of the extracted cross-sections varies, with the elastic cross-section for neon found to be within 9% accuracy, while simultaneous extraction of elastic and ionisation cross-sections decreases the accuracy.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Stephen Sanderson, George Vamvounis, Alan E. Mark, Paul L. Burn, Ronald D. White, Bronson W. Philippa
Summary: Solution-processing of organic light-emitting diode films has potential advantages over vacuum-deposition, but may result in lower device performance. Molecular dynamics simulations were used to study solvent evaporation during solution processing and its effects on charge transport and exciton dynamics.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Review
Chemistry, Physical
Ana Lozano, Adrian Garcia-Abenza, Francisco Blanco Ramos, Mahmudul Hasan, Daniel S. Slaughter, Thorsten Weber, Robert P. McEachran, Ronald D. White, Michael J. Brunger, Paulo Limao-Vieira, Gustavo Garcia Gomez-Tejedor
Summary: This Review presents a comparative study between electron and positron scattering cross sections from CO2 molecules. The study reveals important differences in their scattering behavior at different energies. It provides a comprehensive set of scattering cross section data for both electron and positron, including elastic and inelastic scattering channels. However, inconsistencies found between different model potential calculations suggest the need for more sophisticated methods in future calculations.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Physics, Fluids & Plasmas
S. Dujko, D. Bosnjakovic, M. Vass, P. Hartmann, I Korolov, N. R. Pinhao, D. Loffhagen, Z. Donko
Summary: We measured the electron swarm transport coefficients in CO at room temperature under time-of-flight conditions by scanning drift tube. The measurements were compared with modeling results and other experimental data. Monte Carlo simulations and solving the electron Boltzmann equation were used to obtain the modeling results. Generally, good agreement was found between the measured and calculated transport coefficients. A strategy to improve the cross-section set used to explain discrepancies at lower E/N values was proposed.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Physical
G. J. Boyle, P. W. Stokes, R. E. Robson, R. D. White
Summary: Seminal gas discharge experiments of the late 19th and early 20th centuries laid the foundations of modern physics, and the influence of this golden era continues to resonate well into the 21st century through modern technologies, medical applications, and fundamental scientific investigations. The kinetic equation formulated by Ludwig Boltzmann in 1872 has been instrumental in analyzing highly non-equilibrium situations, and its full potential has only been realized in the past 50 years or so with advancements in computing power and analytical techniques. This article discusses the need for accurate methods in studying charged particles in gases, highlights the inadequacy of traditional approximations, and explores the emerging role of Boltzmann's equation in determining cross sections using machine learning with artificial neural networks.
JOURNAL OF CHEMICAL PHYSICS
(2023)
