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1.
Phys Rev Lett ; 109(3): 035002, 2012 Jul 20.
Artículo en Inglés | MEDLINE | ID: mdl-22861862

RESUMEN

We report a measurement of the electron temperature in a plasma generated by a high-intensity laser focused into a jet of neon. The 15 eV electron temperature is determined using an analytic solution of the plasma equations assuming local thermodynamic equilibrium, initially developed for ultracold neutral plasmas. We show that this analysis method accurately reproduces more sophisticated plasma simulations in our temperature and density range. While our plasma temperatures are far outside the typical "ultracold" regime, the ion temperature is determined by the plasma density through disorder-induced heating just as in ultracold neutral plasma experiments. Based on our results, we outline a pathway for achieving a strongly coupled neutral laser-produced plasma that even more closely resembles ultracold neutral plasma conditions.

2.
J Comput Chem ; 33(32): 2602-13, 2012 Dec 15.
Artículo en Inglés | MEDLINE | ID: mdl-22886395

RESUMEN

Molecular simulation methods have increasingly contributed to our understanding of molecular and nanoscale systems. However, the family of Monte Carlo techniques has taken a backseat to molecular dynamics based methods, which is also reflected in the number of available simulation packages. Here, we report the development of a generic, versatile simulation package for stochastic simulations and demonstrate its application to protein conformational change, protein-protein association, small-molecule protein docking, and simulation of the growth of nanoscale clusters of organic molecules. Simulation of molecular and nanoscale systems (SIMONA) is easy to use for standard simulations via a graphical user interface and highly parallel both via MPI and the use of graphical processors. It is also extendable to many additional simulations types. Being freely available to academic users, we hope it will enable a large community of researchers in the life- and materials-sciences to use and extend SIMONA in the future. SIMONA is available for download under http://int.kit.edu/nanosim/simona.


Asunto(s)
Simulación de Dinámica Molecular , Nanoestructuras/química , Nanotecnología , Proteínas/química , Algoritmos , Modelos Moleculares , Método de Montecarlo , Conformación Proteica
3.
Opt Lett ; 34(9): 1429-31, 2009 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-19412295

RESUMEN

We demonstrate a technique for determining optical constants of materials in the extreme UV from the ratio of p-polarized to s-polarized reflectance. The measurements are based on laser-generated high-order harmonics, which have easily rotatable linear polarization but that are prone to brightness fluctuations and systematic drifts during measurement. Rather than measure the absolute reflectance, we extract the optical constants of a material from the ratio of p-polarized to s-polarized reflectance at multiple incident angles. This has the advantage of dividing out long-term fluctuations and possible systematic errors. We show that the reflectance ratio is as sensitive as the absolute reflectance to material optical properties.

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