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We present the first realization of the generalized pseudoatom concept introduced by Ball, and adopt the name enatom to minimize confusion. This enatom, which consists of a unique decomposition of the total charge density (or potential) of…

Materials Science · Physics 2007-05-23 J. Kunstmann , L. Boeri , W. E. Pickett

We report extensive numerical simulations of different models of 2D polymer rings with internal elasticity. We monitor the dynamical behavior of the rings as a function of the packing fraction, to address the effects of particle deformation…

Soft Condensed Matter · Physics 2021-06-07 Nicoletta Gnan , Fabrizio Camerin , Giovanni Del Monte , Andrea Ninarello , Emanuela Zaccarelli

In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…

Materials Science · Physics 2014-05-30 Luis G. V. Gonçalves , José P. Rino

Rapid progress in electrically-controlled plasmonics in solids poses a question about effects of electronic reservoirs on the properties of plasmons. We find that plasmons in electronically open systems [i.e. in (semi)conductors connected…

Mesoscale and Nanoscale Physics · Physics 2020-12-03 Kirill Kapralov , Dmitry Svintsov

The properties of lithium metal are key parameters in the design of lithium ion and lithium metal batteries. They are difficult to probe experimentally due to the high reactivity and low melting point of lithium as well as the microscopic…

Understanding the effects of nonequilibrium on strongly interacting quantum systems is a challenging problem in condensed matter physics. In dimensions greater than one, interacting electrons can often be understood within Fermi-liquid…

Strongly Correlated Electrons · Physics 2015-05-14 So Takei , Mirco Milletari' , Bernd Rosenow

Electronic Coulomb excitations in monolayer silicene are investigated by using the Lindhard dielectric function and a newly developed generalized tight-binding model (G-TBM). G-TBM simultaneously contains the atomic interactions, the…

Mesoscale and Nanoscale Physics · Physics 2015-10-07 Jhao-Ying Wu , Szu-Chao Chen , Godfrey Gumbs , Ming-Fa Lin

We provide a self-contained theoretical analysis of the dynamical response of a one dimensional electron system, as confined in a semiconductor quantum wire, within the random phase approximation. We carry out a detailed comparison with the…

Condensed Matter · Physics 2009-10-28 S. Das Sarma , E. H. Hwang

The dynamics of a metallic particle confined between charged walls is studied. One wall is fixed and the other moves smoothly and periodically in time. Dissipation is considered by assuming a friction produced by the contact between the…

Chaotic Dynamics · Physics 2013-12-12 Denis Gouvêa Ladeira , Edson Denis Leonel

The some dynamic properties of a random heteropolymer in the condensed state are studied in the mode coupling approximation. In agreement with recent report a dynamic friction increasing is predicted for the random heteropolymer with…

Disordered Systems and Neural Networks · Physics 2007-05-23 E. Sh. Mamasakhlisov , V. F. Morozov

We theoretically investigate the thermodynamics of an interacting inhomogeneous two-component Fermi gas in an optical lattice. Motivated by a recent experiment by L. Hackerm\"uller et al., Science, 327, 1621 (2010), we study the effect of…

The hydrostatic pressure induced changes in the transport properties of monolayer (ML) MoS$_2$ have been investigated using first-principles density functional theory based calculations. The application of pressure induces shift in the…

Materials Science · Physics 2023-08-02 Saumen Chaudhuri , Amrita Bhattacharya , A. K. Das , G. P. Das , B. N. Dev

Using computer simulations, the electrophoretic motion of a positively charged colloid (macroion) in an electrolyte solution is studied in the framework of the primitive model. Hydrodynamic interactions are fully taken into account by…

Soft Condensed Matter · Physics 2015-06-25 Apratim Chatterji , Jürgen Horbach

Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…

Materials Science · Physics 2020-09-28 Shunda Chen , Virginia L. Johnson , Davide Donadio , Kristie J. Koski

Double layers (DLs) have been observed in a plasma reactor composed of a source chamber attached to a larger expanding chamber. Positive ion beams generated across the DL were characterized in the low plasma potential region using retarding…

Plasma Physics · Physics 2016-12-11 N. Plihon , P. Chabert , C. S. Corr

Recently, a novel low-energy collective excitation has been predicted to exist at metal surfaces where a quasi two-dimensional (2D) surface-state band coexists with the underlying three-dimensional (3D) continuum. Here we present a model in…

Materials Science · Physics 2009-11-10 J. M. Pitarke , V. U. Nazarov , V. M. Silkin , E. V. Chulkov , E. Zaremba , P. M. Echenique

Inspired by one--dimensional light--particle systems, the dynamics of a non-Hamiltonian system with long--range forces is investigated. While the molecular dynamics does not reach an equilibrium state, it may be approximated in the…

Statistical Mechanics · Physics 2019-01-23 Romain Bachelard , Nicola Piovella , Shamik Gupta

Properties of plasmonic materials are associated with surface plasmons - the electromagnetic excitations coupled to coherent electron charge density oscillations on a metal/dielectric interface. Although decay of such oscillations cannot be…

Optics · Physics 2021-05-27 Krystyna Kolwas

Magnetic fusion devices operate at regimes characterized by extremely high temperatures and low densities, for which the charged particles motion is well described by classical mechanics. This is not true, however, for solid-state metallic…

Plasma Physics · Physics 2015-06-23 Giovanni Manfredi , Jérôme Hurst

The dynamical response of metallic clusters up to $10^3$ atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation functions are evaluated to investigate…

Atomic and Molecular Clusters · Physics 2015-05-28 Thomas Raitza , Heidi Reinholz , Igor Morozov , Gerd Röpke