What is liquid? Lyapunov instability reveals symmetry-breaking irreversibilities hidden within Hamilton's many-body equations of motion

Typical Hamiltonian liquids display exponential "Lyapunov instability", also called "sensitive dependence on initial conditions". Although Hamilton's equations are thoroughly time-reversible, the forward and backward Lyapunov instabilities can differ, qualitatively. In numerical work, the expected forward/backward pairing of Lyapunov exponents is also occasionally violated. To illustrate, we consider many-body inelastic collisions in two space dimensions. Two mirror-image colliding crystallites can either bounce, or not, giving rise to a single liquid drop, or to several smaller droplets, depending upon the initial kinetic energy and the interparticle forces. The difference between the forward and backward evolutionary instabilities of these problems can be correlated with dissipation and with the Second Law of Thermodynamics. Accordingly, these asymmetric stabilities of Hamilton's equations can provide an "Arrow of Time". We illustrate these facts for two small crystallites colliding so as to make a warm liquid. We use a specially-symmetrized form of Levesque and Verlet's bit-reversible Leapfrog integrator. We analyze trajectories over millions of collisions with several equally-spaced time reversals.Comment: 13 pages and 11 figures, prepared for Douglas Henderson's 80th Birthday Symposium at Brigham Young University in August 2014 revised to incorporate referee's suggestions as an acknowledgmen

Nonlinear Stresses and Temperatures in Transient Adiabatic and Shear Flows via Nonequilibrium Molecular Dynamics -- Three Definitions of Temperature

We compare nonlinear stresses and temperatures for adiabatic shear flows, using up to 262,144 particles, with those from corresponding homogeneous and inhomogeneous flows. Two varieties of kinetic temperature tensors are compared to the configurational temperatures. This comparison leads to an improved form for the local and instantaneous smooth-particle averaged stream velocity and to a recognition of rotational contributions to the configurational temperature.Comment: 16 pages, 8 figures, stimulated by Denis Evans' comments on Hoover et alii, Physical Review E 78, 046701 (2008). Augmented 30 January 2009 in response to referees' comments at Physical Review

Lyapunov instability for a periodic Lorentz gas thermostated by deterministic scattering

In recent work a deterministic and time-reversible boundary thermostat called thermostating by deterministic scattering has been introduced for the periodic Lorentz gas [Phys. Rev. Lett. {\bf 84}, 4268 (2000)]. Here we assess the nonlinear properties of this new dynamical system by numerically calculating its Lyapunov exponents. Based on a revised method for computing Lyapunov exponents, which employs periodic orthonormalization with a constraint, we present results for the Lyapunov exponents and related quantities in equilibrium and nonequilibrium. Finally, we check whether we obtain the same relations between quantities characterizing the microscopic chaotic dynamics and quantities characterizing macroscopic transport as obtained for conventional deterministic and time-reversible bulk thermostats.Comment: 18 pages (revtex), 7 figures (postscript

A Study of Activated Processes in Soft Sphere Glass

On the basis of long simulations of a binary mixture of soft spheres just below the glass transition, we make an exploratory study of the activated processes that contribute to the dynamics. We concentrate on statistical measures of the size of the activated processes.Comment: 17 pages, 9 postscript figures with epsf, uses harvmac.te

Rigidity of Orientationally Ordered Domains of Short Chain Molecules

By molecular dynamics simulation, discovered is a strange rigid-like nature for a hexagonally packed domain of short chain molecules. In spite of the non-bonded short-range interaction potential (Lennard-Jones potential) among chain molecules, the packed domain gives rise to a resultant global moment of inertia. Accordingly, as two domains encounter obliquely, they rotate so as to be parallel to each other keeping their overall structures as if they were rigid bodies.Comment: 7 pages, 5 figures, and 2 table

Scaling Solutions to 6D Gauged Chiral Supergravity

We construct explicitly time-dependent exact solutions to the field equations of 6D gauged chiral supergravity, compactified to 4D in the presence of up to two 3-branes situated within the extra dimensions. The solutions we find are scaling solutions, and are plausibly attractors which represent the late-time evolution of a broad class of initial conditions. By matching their near-brane boundary conditions to physical brane properties we argue that these solutions (together with the known maximally-symmetric solutions and a new class of non-Lorentz-invariant static solutions, which we also present here) describe the bulk geometry between a pair of 3-branes with non-trivial on-brane equations of state.Comment: Contribution to the New Journal of Physics focus issue on Dark Energy; 28 page

Macroscopic equations for the adiabatic piston

A simplified version of a classical problem in thermodynamics -- the adiabatic piston -- is discussed in the framework of kinetic theory. We consider the limit of gases whose relaxation time is extremely fast so that the gases contained on the left and right chambers of the piston are always in equilibrium (that is the molecules are uniformly distributed and their velocities obey the Maxwell-Boltzmann distribution) after any collision with the piston. Then by using kinetic theory we derive the collision statistics from which we obtain a set of ordinary differential equations for the evolution of the macroscopic observables (namely the piston average velocity and position, the velocity variance and the temperatures of the two compartments). The dynamics of these equations is compared with simulations of an ideal gas and a microscopic model of gas settled to verify the assumptions used in the derivation. We show that the equations predict an evolution for the macroscopic variables which catches the basic features of the problem. The results here presented recover those derived, using a different approach, by Gruber, Pache and Lesne in J. Stat. Phys. 108, 669 (2002) and 112, 1177 (2003).Comment: 13 pages, 7 figures (revTeX4) The paper has been completely rewritten with new derivation and results, supplementary information can be found at http://denali.phys.uniroma1.it/~cencini/Papers/cppv07_supplements.pd

Kicking the Rugby Ball: Perturbations of 6D Gauged Chiral Supergravity

We analyze the axially-symmetric scalar perturbations of 6D chiral gauged supergravity compactified on the general warped geometries in the presence of two source branes. We find all of the conical geometries are marginally stable for normalizable perturbations (in disagreement with some recent calculations) and the nonconical for regular perturbations, even though none of them are supersymmetric (apart from the trivial Salam-Sezgin solution, for which there are no source branes). The marginal direction is the one whose presence is required by the classical scaling property of the field equations, and all other modes have positive squared mass. In the special case of the conical solutions, including (but not restricted to) the unwarped `rugby-ball' solutions, we find closed-form expressions for the mode functions in terms of Legendre and Hypergeometric functions. In so doing we show how to match the asymptotic near-brane form for the solution to the physics of the source branes, and thereby how to physically interpret perturbations which can be singular at the brane positions.Comment: 21 pages + appendices, references adde