Concept

Équipartition de l'énergie

Publications associées (54)

simple physical model for the simultaneous rationalisation of melting points and heat capacities of ionic liquids

The anal. of potential energy surfaces of ion pairs within the framework of an anharmonic oscillator model allows rationalization and prediction of m.ps. (Tmp) and heat capacities (Cp) of ionic liqs. (ILs) comprising di- and trialkylimidazolium or tetraalk ...

Royal Society of Chemistry2010

Saturated ideal modes in advanced tokamak regimes in MAST

Jonathan Graves

MAST plasmas with a safety factor above unity and a profile with either weakly reversed shear or broad low-shear regions, regularly exhibit long-lived saturated ideal magnetohydrodynamic (MHD) instabilities. The toroidal rotation is flattened in the presen ...

IOP2010

Colored-Noise Thermostats à la Carte

Michele Ceriotti, Michele Parrinello

Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecular dynamics as a tool to obtain dynamical trajectories whose properties are tailored to display desired sampling features. In the present paper, after having ...

2010

On the parameterization of rigid base and basepair models of DNA from molecular dynamics simulations

John Maddocks, Leesa Maree Heffler

A method is described to extract a complete set of sequence-dependent material parameters for rigid base and basepair models of DNA in solution from atomistic molecular dynamics simulations. The method is properly consistent with equilibrium statistical me ...

2009

Velocity-Scheduling Control for a Unicycle Mobile Robot: Theory and Experiments

Dominique Bonvin, Philippe Müllhaupt, Davide Buccieri, Damien Perritaz

Improvement over classical dynamic feedback linearization for a unicycle mobile robots is proposed. Compared to classical extension, the technique uses a higher-dimensional state extension, which allows rejecting a constant disturbance on the robot rotatio ...

2009

Path integral evaluation of equilibrium isotope effects

Jiri Vanicek, Tomas Zimmermann

A general and rigorous methodology to compute the quantum equilibrium isotope effect is described. Unlike standard approaches, ours does not assume separability of rotational and vibrational motions and does not make the harmonic approximation for vibratio ...

2009

The case for structured random codes in network capacity theorems

Michael Christoph Gastpar

Random coding arguments are the backbone of most channel capacity achievability proofs. In this paper, we show that in their standard form, such arguments are insufficient for proving some network capacity theorems: structured coding arguments, such as ran ...

2008

Vibrational Activation in Direct and Precursor-Mediated Chemisorption of SiH4 on Si(100)

Rainer Beck, Régis Bisson, Marco Sacchi, Thanh Tung Dang

The quantum state-resolved reactivity S0 of SiH4 on Si(100)-2x1 has been measured for the first time for two vibrationally excited Si-H stretch local mode states (|2000> and |1100>) as well the ground state S0 as a function of translational energy En and s ...

2008

Towards thermal equilibrium in the Bose-Einstein condensation of microcavity polaritons

Vincenzo Savona, Davide Sarchi

By comparing a kinetic and a thermal-equilibrium theory of polariton Bose-Einstein condensation, we study under what conditions the dynamical condensation under steady-state non-resonant pumping can approach thermal equilibrium. In particular, we study the ...

2007

A Model for Protein Translation: Polysome Self-Organization Leads to Maximum Protein Synthesis Rates

Vassily Hatzimanikatis

The genetic information in DNA is transcribed to mRNA and then translated to proteins, which form the building blocks of life. Translation, or protein synthesis, is hence a central cellular process. We have developed a gene-sequence-specific mechanistic mo ...

2007

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