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Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Computational Engineering, Finance, and Science · Computer Science 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis

The interaction of condensed phase systems with external electric fields is crucial in myriad processes in nature and technology ranging from the field-directed motion of cells (galvanotaxis), to energy storage and conversion systems…

Chemical Physics · Physics 2024-09-25 Kit Joll , Philipp Schienbein , Kevin M. Rosso , Jochen Blumberger

A two-dimensional particle-in-cell code for simulation of low-frequency electromagnetic processes in laboratory plasmas has been developed. The code uses the Darwin method omitting the electromagnetic wave propagation. The Darwin method…

The transition between the gas-, supercritical-, and liquid-phase behaviour is a fascinating topic which still lacks molecular-level understanding. Recent ultrafast two-dimensional infrared spectroscopy experiments suggested that the…

Chemical Physics · Physics 2023-03-22 Kai Töpfer , Debasish Koner , Shyamsunder Erramilli , Lawrence D. Ziegler , Markus Meuwly

A closed-form analytical solution is found for the nonlinear dynamics of isolated, near-threshold waves in the presence of strong scattering. The proposed solution can be useful in verifying codes across several disciplines, including…

Plasma Physics · Physics 2020-01-17 Vinicius Duarte , Nikolai Gorelenkov

The new spectroscopic method for measurement of hot plasma parameters is developed. The method based on Ha profile monitoring. The profile was accurately calculated for a wide range of plasma parameters (n$_e \sim $ 10$^{14} \div $…

Plasma Physics · Physics 2007-05-23 P. I. Melnikov , I. A. Ivanov

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

Particle methods are less computationally efficient than grid based numerical solution of the Navier Stokes equation. However, they have important advantages including rigorous mass conservation, momentum conservation and isotropy. In…

Fluid Dynamics · Physics 2024-06-26 Paul Meakin , Zhijie Xu

This contribution, built on the companion paper [1], is focused on the different mathematical approaches available for the analysis of the quasilinear approximation in plasma physics.

Analysis of PDEs · Mathematics 2020-11-17 Claude Bardos , Nicolas Besse

Conducting precise electronic-vibrational dynamics simulations of molecular systems poses significant challenges when dealing with realistic environments composed of numerous vibrational modes. Here, we introduce a technique for the…

A novel adaptive technique for electromagnetic Particle In Cell (PIC) plasma simulations is presented here. Two main issues are identified in designing adaptive techniques for PIC simulation: first, the choice of the size of the particle…

Plasma Physics · Physics 2015-06-04 M. E. Innocenti , G. Lapenta , S. Markidis , A. Beck , A. Vapirev

Microparticles ranging from sub-microns to millimeter in size are a common form of matter in magnetic fusion environment, and they are highly mobile due to their small mass. Different forces in addition to gravity can affect their motion…

Instrumentation and Detectors · Physics 2018-08-01 Pinghan Chu , Bradley T. Wolfe , Zhehui Wang

Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…

Soft Condensed Matter · Physics 2020-11-13 K. Koperwas , A. Grzybowski , M. Paluch

We present a novel nuclear energy density functional method to calculate spectroscopic properties of atomic nuclei. Intrinsic nuclear quadrupole deformations and rotational frequencies are considered simultaneously as the degrees of freedom…

Nuclear Theory · Physics 2016-02-10 J. Luis Egido , Marta Borrajo , Tomás R. Rodríguez

An interesting aspect in the research of complex (dusty) plasmas is the experimental study of the interaction of micro-particles with the surrounding plasma for diagnostic purposes. Local electric fields can be determined from the behaviour…

Plasma Physics · Physics 2009-11-13 R. Basner , F. Sigeneger , D. Loffhagen , G. Schubert , H. Fehske , H. Kersten

Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…

Computational Physics · Physics 2020-12-25 Wujie Wang , Simon Axelrod , Rafael Gómez-Bombarelli

Microplasmas are operated around atmospheric pressure exhibiting pronounced non-equilibrium characteristics, i.e. they possess energetic electrons while ions and neutrals remain cold. They have gained significant interest due to their…

Nonlinear interaction of a low density electron beam with a uniform plasma is studied using two-dimensional particle-in-cell (PIC) simulations. We focus on formation of coherent phase space structures in the case, when a wide…

Plasma Physics · Physics 2012-05-21 I. V. Timofeev

The energy-level structure of a quantum system plays a fundamental role in determining its behavior and manifests itself in a discrete absorption and emission spectrum. Conventionally, spectra are probed via frequency spectroscopy whereby…

The characterization of plasma wakefield acceleration experiments using emitted photons from betatron radiation requires numerical models in support of instrumentation of single-shot, double-differential angular-energy spectra. Precision…

Accelerator Physics · Physics 2023-03-09 M. Yadav , C. Hansel , B. Naranjo , G. Andonian , P. Manwani , O. Apsimon , C. P. Welsch , J. B. Rosenzweig