Search results for "Statistical physics"
showing 10 items of 1402 documents
The interplay between structure and ionic motions in glasses
2003
We present research examples that demonstrate how molecular dynamics simulations of real materials have reached a high level of sophistication. For simplicity, we focus on examples taken from our own research-although many other groups have done similarly valuable work on other systems and problems.
Phase behaviour of heteronuclear dimers in three-dimensional systems—a Monte Carlo study
2008
Monte Carlo simulation in the grand canonical ensemble, the histogram reweighting technique and finite size scaling are used to study the phase behaviour of dimers in three-dimensional systems. A single molecule is composed of two segments A and B, and the bond between them cannot be broken. The phase diagrams have been estimated for a set of model systems. Different structures formed by heteronuclear dimers have been found. The results show a great variety of vapour–liquid coexistence behaviour depending on the strength of the interactions between segments.
The relativity experiment of MORE: Global full-cycle simulation and results
2015
BepiColombo is a joint ESA/JAXA mission to Mercury with challenging objectives regarding geophysics, geodesy and fundamental physics. In particular, the Mercury Orbiter Radio science Experiment (MORE) intends, as one of its goals, to perform a test of General Relativity. This can be done by measuring and constraining the parametrized post-Newtonian (PPN) parameters to an accuracy significantly better than current one. In this work we perform a global numerical full-cycle simulation of the BepiColombo Radio Science Experiments (RSE) in a realistic scenario, focussing on the relativity experiment, solving simultaneously for all the parameters of interest for RSE in a global least squares fit …
Enhanced sampling in simulations of dense systems
2002
In the simulations of a variety of systems we encounter the problem of large relaxation times due to the dense packing of the systems constituents. We propose an algorithm to overcome this slowing down by temporarily allowing the constituents of a 3d systems to escape into a 4th space coordinate. The idea will be exemplified for the problem of a homopolymer collapse.
Spectral Density Estimate for Stable Processes Observed with an Additive Error
2018
International audience; In this paper, a symmetric alpha stable process where its spectral representation has an additive error is considered. The error is supposed to be constant. A periodogram as estimator of the spectral density and its rate of convergence are given. In order to give an asymptotically unbiased and consistent estimate of the spectral density, this periodogram is smoothed by an adapted spectral window. The rate of convergence is given.
A PHENOMENOLOGICAL OPERATOR DESCRIPTION OF INTERACTIONS BETWEEN POPULATIONS WITH APPLICATIONS TO MIGRATION
2013
We adopt an operatorial method based on the so-called creation, annihilation and number operators in the description of different systems in which two populations interact and move in a two-dimensional region. In particular, we discuss diffusion processes modeled by a quadratic hamiltonian. This general procedure will be adopted, in particular, in the description of migration phenomena. With respect to our previous analogous results, we use here fermionic operators since they automatically implement an upper bound for the population densities.
Are most of the stationary points in a molecular association minima? Application of Fraga's potential to benzene-benzene
1993
The importance of characterizing the stationary points of the intermolecular potential by means of Hessian eigenvalues is illustrated for the calculation of the benzene–benzene interaction using an atom-to-atom pair potential proposed by Fraga (FAAP). Two models, the standard one-center-per atom and another using three-centers-per atom due to Hunter and Sanders, are used to evaluate the electrostatic contributions and the results are compared. It is found in both cases that although using low-gradient thresholds allows optimization procedures to avoid many stationary points that are not true minima computing time considerations makes the usual procedure of using high-gradient thresholds [sa…
Gravitational Test beyond the First Post-Newtonian Order with the Shadow of the M87 Black Hole
2020
All authors: Psaltis, Dimitrios; Medeiros, Lia; Christian, Pierre; Özel, Feryal; Akiyama, Kazunori; Alberdi, Antxon; Alef, Walter; Asada, Keiichi; Azulay, Rebecca; Ball, David; Baloković, Mislav; Barrett, John; Bintley, Dan; Blackburn, Lindy; Boland, Wilfred; Bower, Geoffrey C.; Bremer, Michael; Brinkerink, Christiaan D.; Brissenden, Roger; Britzen, Silke Broguiere, Dominique; Bronzwaer, Thomas; Byun, Do-Young; Carlstrom, John E.; Chael, Andrew; Chan, Chi-kwan; Chatterjee, Shami; Chatterjee, Koushik; Chen, Ming-Tang; Chen, Yongjun; Cho, Ilje; Conway, John E.; Cordes, James M.; Crew, Geoffrey B.; Cui, Yuzhu; Davelaar, Jordy; De Laurentis, Mariafelicia; Deane, Roger; Dempsey, Jessica; Desvign…
Slow roll in simple non-canonical inflation
2007
17 pages, 4 figures.-- ISI Article Identifier: 000245945000008.-- ArXiv pre-print available at: http://arxiv.org/abs/astro-ph/0701343
Efficient resummation of high post-Newtonian contributions to the binding energy
2021
A factorisation property of Feynman diagrams in the context the Effective Field Theory approach to the compact binary problem has been recently employed to efficiently determine the static sector of the potential at fifth post-Newtonian (5PN) order. We extend this procedure to the case of non-static diagrams and we use it to fix, by means of elementary algebraic manipulations, the value of more than one thousand diagrams at 5PN order, that is a substantial fraction of the diagrams needed to fully determine the dynamics at 5PN. This procedure addresses the redundancy problem that plagues the computation of the binding energy with respect to more "efficient" observables like the scattering an…