scholarly journals Adiabatic Invariants for the FPUT and Toda Chain in the Thermodynamic Limit

2020 ◽  
Vol 380 (2) ◽  
pp. 811-851
Author(s):  
T. Grava ◽  
A. Maspero ◽  
G. Mazzuca ◽  
A. Ponno
Keyword(s):  
Periodic Boundary ◽  
Toda Chain ◽  
Periodic Boundary Conditions ◽  
Adiabatic Invariants ◽  
Hamiltonian Flow ◽  
Integrals Of Motion ◽  
Linear Combinations ◽  
Small Temperature ◽  
Large Measure ◽  
Periodic Toda Chain

Abstract We consider the Fermi–Pasta–Ulam–Tsingou (FPUT) chain composed by $$N \gg 1$$ N ≫ 1 particles and periodic boundary conditions, and endow the phase space with the Gibbs measure at small temperature $$\beta ^{-1}$$ β - 1 . Given a fixed $${1\le m \ll N}$$ 1 ≤ m ≪ N , we prove that the first m integrals of motion of the periodic Toda chain are adiabatic invariants of FPUT (namely they are approximately constant along the Hamiltonian flow of the FPUT) for times of order $$\beta $$ β , for initial data in a set of large measure. We also prove that special linear combinations of the harmonic energies are adiabatic invariants of the FPUT on the same time scale, whereas they become adiabatic invariants for all times for the Toda dynamics.

Molecular Dynamics Using Non-Variational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation and Application to the Bond Capacity Model

2019 ◽  
Author(s):  
Pier Paolo Poier ◽  
Louis Lagardere ◽  
Jean-Philip Piquemal ◽  
Frank Jensen
Keyword(s):  
Boundary Conditions ◽  
Periodic Boundary ◽  
Force Fields ◽  
Periodic Boundary Conditions ◽  
Computational Effort ◽  
Polarizable Force Fields ◽  
Energy Models ◽  
Capacity Model ◽  
Energy Gradient ◽  
Polarization Models

<div> <div> <div> <p>We extend the framework for polarizable force fields to include the case where the electrostatic multipoles are not determined by a variational minimization of the electrostatic energy. Such models formally require that the polarization response is calculated for all possible geometrical perturbations in order to obtain the energy gradient required for performing molecular dynamics simulations. </p><div> <div> <div> <p>By making use of a Lagrange formalism, however, this computational demanding task can be re- placed by solving a single equation similar to that for determining the electrostatic variables themselves. Using the recently proposed bond capacity model that describes molecular polarization at the charge-only level, we show that the energy gradient for non-variational energy models with periodic boundary conditions can be calculated with a computational effort similar to that for variational polarization models. The possibility of separating the equation for calculating the electrostatic variables from the energy expression depending on these variables without a large computational penalty provides flexibility in the design of new force fields. </p><div><div><div> </div> </div> </div> <p> </p><div> <div> <div> <p>variables themselves. Using the recently proposed bond capacity model that describes molecular polarization at the charge-only level, we show that the energy gradient for non-variational energy models with periodic boundary conditions can be calculated with a computational effort similar to that for variational polarization models. The possibility of separating the equation for calculating the electrostatic variables from the energy expression depending on these variables without a large computational penalty provides flexibility in the design of new force fields. </p> </div> </div> </div> </div> </div> </div> </div> </div> </div>

scholarly journals Global classical solutions to the elastodynamic equations with damping

2021 ◽  
Vol 2021 (1) ◽  
Author(s):  
Mengmeng Liu ◽  
Xueyun Lin
Keyword(s):  
Initial Data ◽  
Periodic Boundary ◽  
Energy Estimate ◽  
Periodic Boundary Conditions ◽  
Deformation Tensor ◽  
Classical Solutions ◽  
Small Initial Data ◽  
Weighted Energy ◽  
Global Classical Solutions ◽  
Weighted Energy Estimate

AbstractIn this paper, we show the global existence of classical solutions to the incompressible elastodynamics equations with a damping mechanism on the stress tensor in dimension three for sufficiently small initial data on periodic boxes, that is, with periodic boundary conditions. The approach is based on a time-weighted energy estimate, under the assumptions that the initial deformation tensor is a small perturbation around an equilibrium state and the initial data have some symmetry.

scholarly journals Normal periodic solutions for the fractional abstract Cauchy problem

2021 ◽  
Vol 2021 (1) ◽  
Author(s):  
Jennifer Bravo ◽  
Carlos Lizama
Keyword(s):  
Banach Space ◽  
Cauchy Problem ◽  
Periodic Solution ◽  
Periodic Boundary ◽  
Abstract Cauchy Problem ◽  
Periodic Boundary Conditions ◽  
Sectorial Operator ◽  
Closed Linear Operator ◽  
Resolvent Set ◽  
Spectral Angle

AbstractWe show that if A is a closed linear operator defined in a Banach space X and there exist $t_{0} \geq 0$ t 0 ≥ 0 and $M>0$ M > 0 such that $\{(im)^{\alpha }\}_{|m|> t_{0}} \subset \rho (A)$ { ( i m ) α } | m | > t 0 ⊂ ρ ( A ) , the resolvent set of A, and $$ \bigl\Vert (im)^{\alpha }\bigl(A+(im)^{\alpha }I \bigr)^{-1} \bigr\Vert \leq M \quad \text{ for all } \vert m \vert > t_{0}, m \in \mathbb{Z}, $$ ∥ ( i m ) α ( A + ( i m ) α I ) − 1 ∥ ≤ M  for all  | m | > t 0 , m ∈ Z , then, for each $\frac{1}{p}<\alpha \leq \frac{2}{p}$ 1 p < α ≤ 2 p and $1< p < 2$ 1 < p < 2 , the abstract Cauchy problem with periodic boundary conditions $$ \textstyle\begin{cases} _{GL}D^{\alpha }_{t} u(t) + Au(t) = f(t), & t \in (0,2\pi ); \\ u(0)=u(2\pi ), \end{cases} $$ { D t α G L u ( t ) + A u ( t ) = f ( t ) , t ∈ ( 0 , 2 π ) ; u ( 0 ) = u ( 2 π ) , where $_{GL}D^{\alpha }$ D α G L denotes the Grünwald–Letnikov derivative, admits a normal 2π-periodic solution for each $f\in L^{p}_{2\pi }(\mathbb{R}, X)$ f ∈ L 2 π p ( R , X ) that satisfies appropriate conditions. In particular, this happens if A is a sectorial operator with spectral angle $\phi _{A} \in (0, \alpha \pi /2)$ ϕ A ∈ ( 0 , α π / 2 ) and $\int _{0}^{2\pi } f(t)\,dt \in \operatorname{Ran}(A)$ ∫ 0 2 π f ( t ) d t ∈ Ran ( A ) .

scholarly journals Sharp Lyapunov-type inequalities for second-order half-linear difference equations with different kinds of boundary conditions

2021 ◽  
Vol 115 (3) ◽  
Author(s):  
Robert Stegliński
Keyword(s):  
Difference Equation ◽  
Boundary Conditions ◽  
Difference Equations ◽  
Periodic Boundary ◽  
Periodic Boundary Conditions ◽  
Second Order ◽  
Linear Difference Equations ◽  
Order Difference ◽  
Second Order Difference Equation ◽  
Order Difference Equation

AbstractIn this work, we establish optimal Lyapunov-type inequalities for the second-order difference equation with p-Laplacian $$\begin{aligned} \Delta (\left| \Delta u(k-1)\right| ^{p-2}\Delta u(k-1))+a(k)\left| u(k)\right| ^{p-2}u(k)=0 \end{aligned}$$ Δ ( Δ u ( k - 1 ) p - 2 Δ u ( k - 1 ) ) + a ( k ) u ( k ) p - 2 u ( k ) = 0 with Dirichlet, Neumann, mixed, periodic and anti-periodic boundary conditions.

Lecture on SUSY Gauge Theories and Integrable Systems

1997 ◽  
Vol 11 (26n27) ◽  
pp. 3093-3124
Author(s):  
A. Marshakov
Keyword(s):  
Field Theory ◽  
Quantum Field Theory ◽  
Integrable Systems ◽  
Gauge Theories ◽  
Toda Chain ◽  
Quantum Field ◽  
Standard Quantum ◽  
Integrable Equations ◽  
Complex Curves ◽  
Periodic Toda Chain

I consider main features of the formulation of the finite-gap solutions to integrable equations in terms of complex curves and generating 1-differential. The example of periodic Toda chain solutions is considered in detail. Recently found exact nonperturbative solutions to [Formula: see text] SUSY gauge theories are formulated using the methods of the theory of integrable systems and where possible the parallels between standard quantum field theory results and solutions to the integrable systems are discussed.

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