Article
Mechanics
Smail Lebbal, Frederic Alizard, Benoit Pier
Summary: The linear dynamics of perturbations in an infinite channel with compliant walls under pulsatile flow conditions is investigated. Floquet theory is used for linear stability analysis to study the characteristics of different modes in pulsatile flows, and a new type of mode is identified.
JOURNAL OF FLUID MECHANICS
(2022)
Article
Multidisciplinary Sciences
Antonio F. Miguel
Summary: The article investigates the impact of symmetry and asymmetry in the tracheobronchial tree on the process of breathing, and provides a model based on entropy generation. The study finds that an asymmetrical design allows for uniform airflow and robustness against size variability caused by morphogenesis.
SCIENTIFIC REPORTS
(2022)
Article
Mechanics
Jonathan Stephano, Benjamin Mauroy
Summary: The interaction between airflow and mucus in the bronchi is important for cough and chest physiotherapy. Studying the distribution of wall shear stress (WSS) can help improve treatment effectiveness. The WSS distribution in the airway tree is influenced by airflow dynamics and air inertia, suggesting that adjusting airflow and tissue pressure may partially control air-mucus interaction in the lung.
Article
Mechanics
Benoit Pier, Peter J. Schmid
Summary: This study investigates the short-term instabilities of pulsatile channel and pipe flows using a direct-adjoint optimisation technique. The findings suggest that at low pulsation amplitudes, the transient dynamics is similar to that of an equivalent steady parabolic flow profile. However, once a critical pulsation amplitude is surpassed, linear transient growth increases exponentially with significant energy amplification factors.
JOURNAL OF FLUID MECHANICS
(2021)
Article
Engineering, Chemical
Jianwei Wang, Ya Zhang, Xiaole Chen, Yu Feng, Xiaoyong Ren, Minjuan Yang, Ting Ding
Summary: The COVID-19 pandemic has caused severe disruption globally, and there is currently no specific therapy for effective treatment. However, inhalation therapy strategies, including antiviral drugs, anti-inflammatory drugs, and vaccines, have been proposed to inhibit SARS-CoV-2 infection. Simulation trials using a computational fluid dynamics model showed that the point-source aerosol release method can significantly enhance the delivery efficiency of drugs to the severely affected lung segments.
Article
Mechanics
Michael Brunengo, Barrett R. Mitchell, Antonello Nicolini, Bernard Rousselet, Benjamin Mauroy
Summary: Chest physiotherapy is a set of techniques aimed at helping to drain mucus from the lungs in pathological situations. High-frequency chest wall oscillation (HFCWO) is a technique that applies oscillating pressures on the chest, but there is still limited understanding of how it interacts with lung biomechanics. Idealized HFCWO manipulations have been studied using a mathematical model, which showed a buffering effect on overcoming mucus yield stress and predicted an optimal range of working frequencies for HFCWO.
Article
Biochemistry & Molecular Biology
Amjad Ali, Zainab Bukhari, Muhammad Umar, Muhammad Ali Ismail, Zaheer Abbas
Summary: This study utilizes experimental relations to approximate the efficient thermophysical properties of Cu nanoparticles and hybrid nanofluid, and models the two-dimensional pulsatile Casson fluid flow under the influence of a magnetic field and thermal radiation. Analyzing the heat and mass transfer properties of the non-Newtonian Casson hybrid nanofluid in a Darcy-Forchheimer porous channel offers insights for potential applications in designing hydraulic treatments for highly stenosed arteries and industrial systems with pulsating flows. The results demonstrate superior thermal properties of the hybrid nanofluid compared to traditional fluids, showcasing potential benefits for various applications including biomechanical system design.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Multidisciplinary Sciences
Claudia Atzeni, Gianluca Lesma, Gabriele Dubini, Maurizio Masi, Filippo Rossi, Elena Bianchi
Summary: This study analyzed the inhalation of aerosol under conditions similar to thermal therapy using a computational fluid dynamic 3D model, showing the importance of including transient physiological breath cycle on aerosol deposition analyses. The results may help in designing medical devices and protocols to make inhalations more effective in the population.
SCIENTIFIC REPORTS
(2021)
Article
Mathematics, Interdisciplinary Applications
Xinyu Wan, Jiyin Cao, Xia Yang, Longfei Wang, Yuanchao Chen, Beibei Cheng
Summary: Tree-like branching structures, occurring naturally and artificially, have been studied and applied in transport systems for decades. This paper investigates the flow field of a proton exchange membrane fuel cell (PEMFC) with a Y-shaped tree-like fractal structure using Murray's law in fractal theory. The study simulates the polarization curve, gas concentration distribution, water concentration distribution, pressure drop distribution, and current density distribution of the PEMFC, analyzing the transmission law with different channel branching angles (70 degrees, 75 degrees, 80 degrees). The results show that the optimal branching angle for the designed tree-like fractal flow field is 75 degrees, with a 26.7% higher maximum output power density compared to a parallel flow field. The research demonstrates the applicability of Murray's law-derived 75-degree symmetric branching flow in fuel cell flow field design, improving the transport characteristics and overall performance of the PEMFC.
FRACTALS-COMPLEX GEOMETRY PATTERNS AND SCALING IN NATURE AND SOCIETY
(2023)
Article
Engineering, Biomedical
Sina G. Yazdi, Paul D. Docherty, Petra N. Williamson, Mark Jermy, Natalia Kabaliuk, Adib Khanafer, Patrick H. Geoghegan
Summary: The study investigated the effect of compliance and pulsatility on aortic arch hemodynamics. Results showed that compliance plays a significant role in arterial flow dynamics under pulsatility, leading to highly relevant clinical outcomes.
MEDICAL ENGINEERING & PHYSICS
(2021)
Article
Thermodynamics
Rami Masri, Charles Puelz, Beatrice Riviere
Summary: This paper presents a solute transport model for a blood vessel with a general velocity profile and varying cross section, coupled with a model for blood flow. Numerical investigation reveals a relationship between diffusion coefficient and velocity profile shape, and shows that the Coriolis parameter impacts solute transport during transient regime.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Mechanics
K. Govindarajulu, A. Subramanyam Reddy
Summary: This study analyzes the magnetohydrodynamic pulsatile flow of third grade hybrid nanofluid in a porous channel under the impacts of viscous dissipation, thermal radiation, and Ohmic heating. The findings of this research are significant in various fields including food processing, biomedical engineering, and pharmaceuticals. The study investigates the pulsating flow of a third grade hybrid nanofluid with thermal radiation and Joule heating effects, which has not been reported before. The study demonstrates that velocity decreases with a rise in Hartmann number and non-Newtonian parameter, while the temperature of the nanofluid is enhanced with increasing viscous dissipation.
Article
Thermodynamics
V. R. Pepe, A. F. Miguel, F. S. F. Zinani, L. A. O. Rocha
Summary: This study compares different designs of dendritic flow networks and finds that the performance of dendritic designs is highly dependent on the geometric features such as the svelteness of the network and tube alignment at different levels of bifurcation. It also reveals that flow asymmetry can develop in symmetrical dendritic networks. These findings are of great importance for designing networks in engineering systems.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2022)
Article
Astronomy & Astrophysics
Chun-Zheng Wang, Wen-Ya Wu, Qi-Ye Shou, Guo-Liang Ma, Yu-Gang Ma, Song Zhang
Summary: The study discusses the influence of charge asymmetry on anisotropic flow using two models, and proposes a new method using Event Shape Engineering to distinguish signal from background.
Article
Green & Sustainable Science & Technology
Jingxu Lan, Yang Xue, Dewei Fang, Qian Zheng
Summary: This study examines the impact of public transport services on the satisfaction of the elderly and provides an optimization strategy for improving ground public transportation based on survey and interview data.
Article
Medicine, Research & Experimental
Emilie Bequignon, David Mangin, Justine Becaud, Jennifer Pasquier, Christelle Angely, Mathieu Bottier, Estelle Escudier, Daniel Isabey, Marcel Filoche, Bruno Louis, Jean-Francois Papon, Andre Coste
JOURNAL OF TRANSLATIONAL MEDICINE
(2020)
Editorial Material
Physics, Multidisciplinary
M. Filoche, D. Arnold, G. David, D. Jerison, S. Mayboroda
PHYSICAL REVIEW LETTERS
(2020)
Article
Multidisciplinary Sciences
Christelle Angely, Daniel Ladant, Emmanuelle Planus, Bruno Louis, Marcel Filoche, Alexandre Chenal, Daniel Isabey
Article
Physics, Applied
H. Li, A. Thayil, C. T. K. Lew, M. Filoche, B. C. Johnson, J. C. McCallum, S. Arscott, A. C. H. Rowe
Summary: The sign of the space-charge-limited piezoresistance of defect-engineered silicon-on-insulator device layers changes as a function of applied bias. The study reveals that above a certain punch-through voltage, the piezoresistance coefficient is positive, while below this voltage, it becomes negative.
PHYSICAL REVIEW APPLIED
(2021)
Article
Physics, Mathematical
Marcel Filoche, Svitlana Mayboroda, Terence Tao
Summary: This note discusses the properties of Schrodinger operators in different situations, comparing the behavior of continuous operators and discrete matrices in terms of the decay of eigenfunctions. It shows that real symmetric Z-matrices can replace discrete Schrodinger matrices and still provide localization estimates for eigenvectors. Additionally, in the case of real symmetric non-singular M-matrices, an effective potential landscape function can be used to control the exponential decay of eigenfunctions away from potential wells, with typical eigenfunctions localized to single wells.
JOURNAL OF MATHEMATICAL PHYSICS
(2021)
Article
Mathematics
G. David, M. Filoche, S. Mayboroda
Summary: This paper establishes non-asymptotic estimates on the integrated density of states of the Schrodinger operator using a counting function for the minima of the localization landscape and a solution to a specific equation.
ADVANCES IN MATHEMATICS
(2021)
Article
Physics, Mathematical
Douglas Arnold, Marcel Filoche, Svitlana Mayboroda, Wei Wang, Shiwen Zhang
Summary: The present paper extends the landscape theory to the tight-binding Schrodinger operator on Z(d), providing upper and lower bounds for the integrated density of states based on the localization landscape.
COMMUNICATIONS IN MATHEMATICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Guillaume Graciani, Marcel Filoche, Francois Amblard
Summary: The present work utilizes a frequency-domain approach to achieve high sensitivity speckle metrology by detecting minute changes in speckle decorrelation spectra. By utilizing a highly reflective cavity with arbitrary shape and filling it with coherent monochromatic photon gas, the authors are able to detect cavity deformations and probe the motional spectrum of colloids inside the cavity.
COMMUNICATIONS PHYSICS
(2022)
Article
Chemistry, Physical
Yun Liu, Jean-Philippe Banon, Kyle Frohna, Yu-Hsien Chiang, Ganbaatar Tumen-Ulzii, Samuel D. Stranks, Marcel Filoche, Richard H. Friend
Summary: The band gap tunability of lead mixed halide perovskites makes them promising in optoelectronics. The static disorder due to iodide:bromide compositional alloying contributes at most 3 meV to the Urbach energy. The small effective masses in perovskites result in a natural length scale for confining potential, explaining the small contribution of potential fluctuations to Urbach energy.
ACS ENERGY LETTERS
(2023)
Article
Mechanics
Anjishnu Choudhury, Marcel Filoche, Neil M. Ribe, Nicolas Grenier, Georg F. Dietze
Summary: The study presents numerical and analytical predictions of mucociliary clearance based on the continuum description of viscoelastic mucus film. The results reveal the importance of mucus viscoelasticity in the clearance process and provide theoretical support for understanding the mechanisms of mucociliary clearance under different diseased conditions.
JOURNAL OF FLUID MECHANICS
(2023)
Article
Physics, Multidisciplinary
Luis A. Razo-Lopez, Geoffroy J. Aubry, Marcel Filoche, Fabrice Mortessagne
Summary: This paper introduces the recent localization landscape (LL) theory and its extension to almost all known 2D lattices. It proposes a systematic way of designing LL for higher dimensions and demonstrates how it accurately predicts the locations and energies of localized eigenfunctions in the honeycomb and hexagonal lattices. The LL theory is highly promising for investigating the role of disorder in these materials.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Optics
Filippo Stellin, Marcel Filoche, Frederic Dias
Summary: We use localization-landscape (LL) theory to study the properties of solutions to the Gross-Pitaevskii equation (GPE) in one-dimensional speckle potentials. The LL allows one to predict the position of the localization center of the ground state (GS) of the GPE for attractive interactions. For weakly repulsive interactions, the GS of the quasi-1D GPE can be understood as a superposition of a finite number of single-particle states computed using the LL. In the smoothing regime, a Thomas-Fermi-like approach for the GS can be introduced for intermediate repulsive interactions.
Article
Materials Science, Multidisciplinary
Jean-Philippe Banon, Pierre Pelletier, Claude Weisbuch, Svitlana Mayboroda, Marcel Filoche
Summary: This study presents a mathematical and computational model that can simulate the optoelectronic response of semiconductor alloys at the nanoscale and account for quantum localization effects. The model is validated and then applied to calculate light absorption in 3D InGaN alloys, obtaining detailed structures of the absorption tail and Urbach energies. Additionally, the model allows for computing 3D maps of the effective locally absorbed power.
Article
Optics
Pierre Pelletier, Dominique Delande, Vincent Josse, Alain Aspect, Svitlana Mayboroda, Douglas N. Arnold, Marcel Filoche
Summary: This paper introduces a method for computing the spectral functions in disordered potentials and demonstrates its accuracy in various quantum regimes. The proposed method does not require any adjustable parameters and is applicable to disordered potentials with different statistical properties.
Article
Optics
Perceval Desforges, Svitlana Mayboroda, Shiwen Zhang, Guy David, Douglas N. Arnold, Wei Wang, Marcel Filoche
Summary: Recent work has proved the existence of bounds for the integrated density of states (IDOS) throughout the spectrum, called the landscape law. The study shows that in 1D, the IDOS can be accurately approximated through a simple formula, while in 2D the same idea applies with changes in the prefactor.
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)
