Article
Chemistry, Physical
Jiachen Li, Zehua Chen, Weitao Yang
Summary: This study introduces the G(RS)T(0) and G(RS)T(RS) methods, which combine the RS Green's function and T-matrix approximation to compute quasiparticle energies in molecular systems, comparing their performance with G(0)T(0) and G(0)W(0) methods for valence and core states, as well as the dependence of G(0)T(0) method on density functional approximations.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Ernest Opoku, Filip Pawlowski, J. V. Ortiz
Summary: This article introduces a new method for calculating self-energies that surpasses previous methods in terms of accuracy, efficiency, and interpretability. It also presents an improved algorithm to overcome convergence difficulties. Numerical tests show that the new non-diagonal, renormalized methods are slightly more accurate than their diagonal counterparts, but come with increased computational complexity.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Nuclear
Marc Verriere, Nicolas Schunck, David Regnier
Summary: This study combines a fully microscopic collective model with an extension of the particle number projection formalism to provide the highest-fidelity prediction of the primary fission fragment distributions for U-235 and Pu-239 neutron-induced fission, and enables the realistic determination of two-dimensional isotopic yields within nuclear density functional theory for the first time.
Article
Engineering, Geological
Zhong-Min Ji, Zhi-Jian Chen, Qing-He Niu, Ting-Hui Wang, Tian-Jun Wang, Tian-Li Chen
Summary: This study investigated the combined effects of seven influencing factors on the normal coefficient of restitution (R-n) in rockfall simulations. Two calculation models for R-n values of non-angular and angular blocks were established, which can accurately predict values under various conditions. The models consider the comprehensive influences of various factors and interactions, providing reliable reference for rockfall prevention and control.
Article
Materials Science, Multidisciplinary
Jotaro J. Nakane, Hiroshi Kohno
Summary: A microscopic calculation analyzing spin-transfer torques and damping torques in metallic antiferromagnets reveals that the sign of the spin-transfer torque is opposite to ferromagnets and is enhanced near the antiferromagnetic gap edge. The dissipative torque parameter and damping parameter for the Neel vector are shown to originate from electron spin relaxation. Additionally, similarities to the ferromagnetic case are discussed, including intrinsic pinning and the relationship between dissipative torque parameter and damping parameter.
Article
Materials Science, Multidisciplinary
Guangyao Li, Meera M. Parish, Jesper Levinsen
Summary: Recent experiments in exciton-polariton systems have provided precise measurements of the polariton-polariton interaction constant, crucial for controlling the nonlinear dynamics of polariton condensates. By utilizing a new microscopic description involving electrons, holes, and photons, researchers performed accurate calculations of the interaction constants, showing varying results under different light-matter coupling strengths.
Article
Astronomy & Astrophysics
M. C. Gordillo, F. De Soto, J. Segovia
Summary: Two decades after its discovery, the nature of the X(3872) exotic resonance remains under scrutiny, with recent research suggesting a meson-meson molecular configuration as preferred, contrary to the usual assumption of a D-0(D) over bar*(0) molecule.
Article
Nuclear Science & Technology
J. M. Seiler, N. Seiler
Summary: Core-catchers made of ceramic materials are used to stabilize corium pool in severe accidents. The Transient Interface Model (TIM) can describe the corium/ceramic interaction in different severe accident situations. It can also handle situations where refractory materials dissolve due to residual power dissipation. The model considers factors such as pool composition, ablation rate, and heat extraction for predicting the transient evolution and steady state of the corium/ceramic interface.
NUCLEAR ENGINEERING AND DESIGN
(2023)
Article
Chemistry, Physical
Hyun-Kyu Hwang, Seong-Jong Kim
Summary: This investigation used a full factorial design to calculate the effective factors of electropolishing for UNS N08367. The electropolishing mechanism model was researched through 3D microscopy and scanning electron microscopy analysis based on the calculated effective factors. The parameters chosen were electrolyte composition ratio, electropolishing process time, and applied current density. The electrolyte composition ratio was found to have the greatest effect on surface planarization according to the analysis of variance (ANOVA). The surface analysis after electropolishing showed a maximum height difference of about 54 times and a minimum surface roughness of 0.129 µm, which was improved by over 70% compared to mechanical polishing. The most effective electropolishing was achieved with a sulfuric acid and phosphoric acid ratio of 3:7, 300 mA/cm2 applied current density, and 5 minutes of process time.
SURFACES AND INTERFACES
(2023)
Article
Astronomy & Astrophysics
Shin'ichi Nojiri, Sergei D. Odintsov, Tanmoy Paul
Summary: This study introduces the concept of generalized entropy and investigates its microscopic origin and its relation to thermodynamic systems. The results show that generalized entropy can be interpreted as the statistical average of a series of microscopic quantities using canonical and grand-canonical ensembles.
Article
Chemistry, Physical
Gennady N. Chuev, Marina V. Fedotova, Marat Valiev
Summary: The renormalized formulation of SDFT, RSDFT, efficiently reconciles the co-existence of intra- and inter-molecular interaction regimes in molecular liquid systems. Critical assessment of RSDFT for hydrated ion systems shows significant improvement over traditional models and may be useful in coarse grained simulations.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Qian He, Jijun Wu, Wenhui Ma
Summary: This study calculated the activity parameters of each component and the activity interaction coefficients between Fe and other components in silicon-based solution systems using the MIVM model. The results showed that Fe had a negative interaction coefficient with P, indicating its detrimental effect on P removal. On the other hand, Fe had positive interaction coefficients with Ti, Ni, Cu, Cr, and V, indicating its positive role in their removal.
Article
Chemistry, Physical
Yahui Yin, Weiping Liu, Xia Li, Yu Zhou, Xianzhen Xu
Summary: The vapor-liquid equilibrium data of amino acids is of great importance in chemical engineering. The VLE data of L-Alanine + H2O, DL-Valine + H2O and DL-Methionine + H2O were experimentally measured and analyzed using NRTL-Xu model and COSMOthermX. Results showed that the vapor pressure increased with temperature, and the higher solubility system had lower vapor pressure compared to the low solubility system and pure solvent. The FTIR spectroscopy technique revealed that the solubility of amino acids in water correlated with the strength of hydrogen bond interaction. COSMOthermX analysis indicated that the total mean interaction energy was minimally affected by concentration.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Elisa Rebolini, Marie-Bernadette Lepetit
Summary: In this paper, a novel and efficient parallel implementation, RelaxSE, is presented for calculating the low-lying excited states and energies of strongly correlated systems. This method, based on the Selected Active Space + Single excitations, is designed to tackle systems with numerous open shells per atom. Evaluation on a test set shows linear scaling with respect to the number of determinants and a small overhead due to parallelization.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Physics, Fluids & Plasmas
J. Honkonen, M. Komarova, Yu Molotkov, M. Nalimov, A. Trenogin
Summary: This article presents the results and method of a three-loop renormalization-group calculation in the model of a Bose gas with a local density-density interaction at finite temperature, using the formalism of time-dependent Green functions. The results provide support for the recent conjecture that the dynamics of the superfluid phase transition belongs to the same universality class as the stochastic model A.
Article
Physics, Multidisciplinary
Pierre Descouvemont, Naoyuki Itagaki
PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS
(2020)
Review
Physics, Nuclear
Calvin W. Johnson, Kristina D. Launey, Naftali Auerbach, Sonia Bacca, Bruce R. Barrett, Carl Brune, Mark A. Caprio, Pierre Descouvemont, W. H. Dickhoff, Charlotte Elster, Patrick J. Fasano, Kevin Fossez, Heiko Hergert, Morten Hjorth-Jensen, Linda Hlophe, Baishan Hu, Rodolfo M. Id Betan, Andrea Idini, Sebastian Koenig, Konstantinos Kravvaris, Dean Lee, Jin Lei, Alexis Mercenne, Rodrigo Navarro Perez, Witold Nazarewicz, Filomena M. Nunes, Marek Ploszajczak, Jimmy Rotureau, Gautam Rupak, Andrey M. Shirokov, Ian Thompson, James P. Vary, Alexander Volya, Furong Xu, Remco G. T. Zegers, Vladimir Zelevinsky, Xilin Zhang
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS
(2020)
Article
Physics, Nuclear
P. Descouvemont
Summary: The study focuses on resonance properties in three-body systems, specifically looking at examples in C-12 and Mg-24 using a microscopic cluster model. Attention is paid to resonances, with a review of techniques extending variational methods to resonances. The study considers the sensitivity of the r.m.s. radius of a resonance to variational basis, particularly in relation to the Hoyle state in C-12. A total of two 0(+) resonances below the three-body threshold are identified in Mg-24.
EUROPEAN PHYSICAL JOURNAL A
(2021)
Article
Astronomy & Astrophysics
Shubhchintak, P. Descouvemont
Article
Physics, Nuclear
P. Descouvemont
Summary: I investigate three-body spectroscopic amplitudes in a microscopic three-cluster model, using the resonating group method (RGM) formalism. The method aims to determine three-body spectroscopic amplitudes and spectroscopic factors, providing approximately antisymmetrized three-body wave functions. It is well known in two-cluster systems and based on the eigenvalues and eigenvectors of the antisymmetrization operator. The formalism is illustrated with the 6He, 11Li, and 14Be nuclei considering excited states of 9Li and 12Be.
Article
Physics, Nuclear
P. Descouvemont
Summary: In this study, a semi-microscopic model is developed to describe transfer reactions. The model utilizes the Resonating Group Method for overlap integrals and the Continuum Discretized Coupled Channel method for the entrance channel calculations. The model provides an excellent description of transfer cross sections without the need for parameter adjustments.
EUROPEAN PHYSICAL JOURNAL A
(2022)
Article
Physics, Nuclear
Shubhchintak, P. Descouvemont
Summary: We analyzed the 16C +p and 16C +d reactions and described the 16C nucleus using the four- and five-body continuum discretized coupled channel method. Our analysis of transition amplitude and inclusion of pseudo-states showed good agreement with experimental results, allowing for the study of proton and deuteron elastic scattering.
Article
Physics, Nuclear
P. Descouvemont
Summary: The Li-11(p,t)Li-9 two-neutron transfer reaction was investigated at the laboratory energy of 33 MeV using the distorted wave Born approximation (DWBA) and the continuum discretized coupled channel (CDCC) method. The complex three-body structure of Li-11 made the calculation of cross section more complicated, but the model was able to reproduce experimental data reasonably well without adjustable parameters. The study showed that the cross section is highly sensitive to the long-range part and halo structure of the Li-11 wave function.
Article
Physics, Nuclear
J. Dohet-Eraly, P. Descouvemont
Summary: The model presents a scattering model for nuclei with similar masses, incorporating core exchange treatment. The coupled-channel system is solved using the R-matrix method, including nonlocal terms. Experimental scattering cross sections are well reproduced without parameter fitting.
Proceedings Paper
Quantum Science & Technology
Pierre Descouvemont
RECENT PROGRESS IN FEW-BODY PHYSICS
(2020)
Article
Physics, Nuclear
Do Cong Cuong, Pierre Descouvemont, Dao T. Khoa, Nguyen Hoang Phuc
Article
Physics, Nuclear
Jin Lei, Pierre Descouvemont
Article
Physics, Nuclear
P. Descouvemont
Review
Astronomy & Astrophysics
Pierre Descouvemont
FRONTIERS IN ASTRONOMY AND SPACE SCIENCES
(2020)
Article
Physics, Nuclear
Shubhchintak, P. Descouvemont
Article
Astronomy & Astrophysics
Nelson R. F. Braga, Octavio C. Junqueira
Summary: This study investigates the influence of rotation on the transition temperature of strongly interacting matter produced in non-central heavy ion collisions. By using a holographic description of an AdS black hole, the authors extend the analysis to the more realistic case where the matter spreads over a region around the rotational axis. The results show the coexistence of confined and deconfined phases and are consistent with the concept of local temperature in rotating frames developed by Tolman and Ehrenfest.
Article
Astronomy & Astrophysics
Bing Sun, Jiachen An, Zhoujian Cao
Summary: This paper investigates the effect of gravitational constant variation on the propagation of gravitational waves. By employing two analytical methods, the study finds that variations in the gravitational constant result in amplitude and phase corrections for gravitational waves, and the time variation of the gravitational constant can be constrained through the propagation of gravitational waves.
Article
Astronomy & Astrophysics
Abdellah Touati, Zaim Slimane
Summary: This letter presents the first study of Hawking radiation as a tunneling process within the framework of non-commutative gauge theory of gravity. The non-commutative Schwarzschild black hole is reconstructed using the Seiberg-Witten map and the star product. The emission spectrum of outgoing massless particles is computed using the quantum tunneling mechanism. The results reveal pure thermal radiation in the low-frequency scenario, but a deviation from pure thermal radiation in the high-frequency scenario due to energy conservation. It is also found that noncommutativity enhances the correlations between successively emitted particles.
Article
Astronomy & Astrophysics
Shahar Hod
Summary: The travel times of light signals between two antipodal points on a compact star's surface are calculated for two different trajectories. It is shown that, for highly dense stars, the longer trajectory along the surface may have a shorter travel time as measured by asymptotic observers. A critical value of the dimensionless density-area parameter is determined for constant density stars to distinguish cases where crossing through the star's center or following a semi-circular trajectory on the surface has a shorter travel time as measured by asymptotic observers.
