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Understanding and ultimately controlling the transformations and properties of nanoscale systems, from proteins to synthetic nanomaterial assemblies, is limited by the inability to uncover their dynamics on their characteristic length and…

Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity. In this work, we report on the description of continuous elastic fields derived…

Materials Science · Physics 2019-04-25 Marco Salvalaglio , Axel Voigt , Ken R. Elder

We show how to adapt the approach introduced for viscous damping in [1] to derive the approximate amplitude decay in the case of damping by a force of constant magnitude (sliding friction) and in the case of damping by a force proportional…

Classical Physics · Physics 2025-09-05 Karlo Lelas , Robert Pezer

We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Niccolò R. C. Corsini , Andrea Greco , Nicholas D. M. Hine , Carla Molteni , Peter D. Haynes

We present an embedding technique for metallic systems that makes it possible to model energy dissipation into substrate phonons during surface chemical reactions from first principles. The separation of chemical and elastic contributions…

Materials Science · Physics 2014-05-14 Jörg Meyer , Karsten Reuter

Atoms or pairs of ions picked up by probe tips used in dynamic force microscopy (DFM) can be strongly displaced and even hop discontinuously upon approach to the sample surface. The energy barriers for some of those hops are of the right…

Mesoscale and Nanoscale Physics · Physics 2014-11-05 B. Ittermann , R. Hoffmann-Vogel , A. Baratoff

When a contaminant diffuses on the surface of a nanomechanical resonator, the motions of the two become correlated. Despite being a high-order effect in the resonator-particle coupling, such correlations affect the system dynamics by…

Mesoscale and Nanoscale Physics · Physics 2016-03-15 Christin Rhén , Andreas Isacsson

Results on dissipative isoscalar modes of a hot and dilute nuclear droplet are presented. As compared to the adiabatic limit (part I), realistic dissipation yields a substantial reduction of the growth rates for all unstable modes, while…

Nuclear Theory · Physics 2007-05-23 W. Nörenberg , G. Papp , P. Rozmej

Electronic nearsightedness is one of the fundamental principles governing the behavior of condensed matter and supporting its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of…

Computational Physics · Physics 2020-09-01 Andrea Grisafi , Jigyasa Nigam , Michele Ceriotti

We investigate dissipative dynamical systems under the influence of an external driving with two or more frequencies. Our main quantities of interest are long-time averages of expectation values which turn out to exhibit universal features.…

Mesoscale and Nanoscale Physics · Physics 2020-11-17 María Laura Olivera , Jesús Casado-Pascual , Sigmund Kohler

In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…

Materials Science · Physics 2009-11-07 A. M. Cuitino , L. Stainier , G. Wang , A. Strachan , T. Cagin , W. A. Goddard , M. Ortiz

The surface diffusion potential landscape plays an essential role in a number of physical and chemical processes such as self-assembly and catalysis. Diffusion energy barriers can be calculated theoretically for simple systems, but there is…

Mesoscale and Nanoscale Physics · Physics 2019-05-28 Renan Villarreal , Christopher J. Kirkham , Alessandro Scarfato , David R. Bowler , Christoph Renner

Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…

We discuss the influence of periodic orbits on the dissociation of a model diatomic molecule driven by a strong bichromatic laser fields. Through the stability of periodic orbits we analyze the dissociation probability when parameters like…

Chaotic Dynamics · Physics 2009-11-13 S. Huang , C. Chandre , T. Uzer

We describe two different modes for electronically detecting an adsorbed molecule using a nanoscale transistor. The attachment of an ionic molecular target shifts the threshold voltage through modulation of the depletion layer…

Mesoscale and Nanoscale Physics · Physics 2008-08-19 S. Vasudevan , K. Walczak , N. Kapur , M. Neurock , A. W. Ghosh

Fragmentation of bubbles and droplets in turbulence produces a dispersed phase spanning a broad range of scales, encompassing everything from droplets in nanoemulsions to centimeter-sized bubbles entrained in breaking waves. Along with…

Fluid Dynamics · Physics 2023-05-31 Rui Ni

The multipole resonance probe is one of the recently developed measurement devices to measure plasma parameter like electron density and temperature based on the concept of active plasma resonance spectroscopy. The dynamical interaction…

Plasma Physics · Physics 2020-06-24 Jens Oberrath

Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…

In this work, evolution of parameters of nanosecond repetitively pulsed (NRP) discharges in pin-to-pin configuration in air was studied during transient stage of initial twenty discharge pulses. Gas and plasma parameters in the discharge…

Plasma Physics · Physics 2022-07-20 Xingxing Wang , Adam Patel , Alexey Shashurin

Pinning of liquid droplets on solid substrates is ubiquitous and plays an essential role in many applications, especially in various areas, such as microfluidics and biology. Although pinning can often reduce the efficiency of various…

Fluid Dynamics · Physics 2023-11-28 Panagiotis E. Theodorakis , Alidad Amirfazli , Bin Hu , Zhizhao Che