相关论文: Second generation wave-function thermostat for ab-…
A Lagrangian formalism is developed for a general nondissipative quasiperiodic nonlinear wave with trapped particles in collisionless plasma. The adiabatic time-averaged Lagrangian density $\mcc{L}$ is expressed in terms of the…
We provide new insights into the contact Hamiltonian and Lagrangian formulations of dissipative mechanical systems. In particular, we state a new form of the contact dynamical equations, and we review two recently presented Lagrangian…
A variational method is used to derive a self-consistent macro-particle model for relativistic electromagnetic kinetic plasma simulations. Extending earlier work [E. G. Evstatiev and B. A. Shadwick, J. Comput. Phys., vol. 245, pp. 376-398,…
Extensive information can be obtained on wave-particle interactions and wave fields by direct measurement of perturbed ion distribution functions using laser-induced fluorescence (LIF). For practical purposes, LIF is frequently performed on…
We propose a new formulation of stochastic thermodynamics for systems subjected to nonequilibrium constraints (i.e. broken detailed balance at steady state) and furthermore driven by external time-dependent forces. A splitting of the second…
A stochastic procedure is developed which allows one to express Pontryagin's maximum principle for dissipative quantum system solely in terms of stochastic wave functions. Time-optimal controls can be efficiently computed without computing…
We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. The resulting canonical thermal state obeys an imaginary…
We introduce a variation of the dissipative particle dynamics (DPD) thermostat that allows for controlling transport properties of molecular fluids. The standard DPD thermostat acts only on a relative velocity along the interatomic axis.…
We present an accelerated algorithm that samples correctly the thermodynamic ensemble in complex systems where the dynamics is controlled by activation barriers. The efficiency of the thermodynamically-weighted activation-relaxation…
A qualitative but formalized representation of microstates is first established quite independently of the quantum mechanical mathematical formalism, exclusively under epistemological-operational-methodological constraints. Then, using this…
This paper studies the decay of an objective functional using a new control technique within Pontryagin's framework. Convergence analysis is carried out on the infinite-dimensional space of Tokamak plasma dynamical state as described by…
A recombination reaction model for high-temperature chemical kinetics is derived from ab initio simulations data. A kinetic recombination rate model is derived using a recently developed ab initio state-specific dissociation model and the…
The paper considers the application of two numerical models to simulate the evolution of steep breaking waves. The first one is a Lagrangian wave model based on equations of motion of an inviscid fluid in Lagrangian coordinates. A method…
The quantum effective action may be used to invert information from phenomena, either measured or ideal, to the microscopic Lagrangian. As an example of this procedure the lattice composition of a solid can be determined in principle from…
Present knowledge of the function of materials is largely based on studies (experimental and theoretical) that are performed at low temperatures and ultra-low pressures. However, the majority of everyday applications, like e.g. catalysis,…
A thermostat senses the temperature of a physical system and switches heating or cooling devices on or off, regulating the flow of heat to maintain the system's temperature near a desired setpoint. Taking advantage of recent advances in…
Molecular dynamics simulations are widely used across chemistry, physics, and biology, providing quantitative insight into complex processes with atomic detail. However, their limited timescale of a few microseconds is a significant…
We formulate a canonical quantization of Equilibrium Thermodynamics by applying Dirac's theory of constrained systems. Thermodynamic variables are treated as conjugate pairs of coordinates and momenta, allowing extensive and intensive…
In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as…
A proof of the resonant property of linear periodically loaded antennas with subwavelength elements is obtained by applying a Lagrangian formalism. A Lagrangian is developed by modeling the antenna with lumped inductance and capacitance…