Nanovoid nucleation by vacancy aggregation and vacancy-cluster coarsening in high-purity metallic single crystals

A numerical model to estimate critical times required for nanovoid nucleation in high-purity aluminum single crystals subjected to shock loading is presented. We regard a nanovoid to be nucleated when it attains a size sufficient for subsequent growth by dislocation-mediated plasticity. Nucleation is assumed to proceed by means of diffusion-mediated vacancy aggregation and subsequent vacancy cluster coarsening. Nucleation times are computed by a combination of lattice kinetic Monte Carlo simulations and simple estimates of nanovoid cavitation pressures and vacancy concentrations. The domain of validity of the model is established by considering rate-limiting physical processes and theoretical strength limits. The computed nucleation times are compared to experiments suggesting that vacancy aggregation and cluster coarsening are feasible mechanisms of nanovoid nucleation in a specific subdomain of the pressure-strain rate-temperature space

Symplectic-energy-momentum preserving variational integrators

The purpose of this paper is to develop variational integrators for conservative mechanical systems that are symplectic and energy and momentum conserving. To do this, a space–time view of variational integrators is employed and time step adaptation is used to impose the constraint of conservation of energy. Criteria for the solvability of the time steps and some numerical examples are given

Stripes, topological order, and deconfinement in a planar t-Jz model

We determine the quantum phase diagram of a two-dimensional bosonic t-Jz model as a function of the lattice anisotropy gamma, using a quantum Monte Carlo loop algorithm. We show analytically that the low-energy sectors of the bosonic and the fermionic t-Jz models become equivalent in the limit of small gamma. In this limit, the ground state represents a static stripe phase characterized by a non-zero value of a topological order parameter. This phase remains up to intermediate values of gamma, where there is a quantum phase transition to a phase-segregated state or a homogeneous superfluid with dynamic stripe fluctuations depending on the ratio Jz/t.Comment: 4 pages, 5 figures (2 in color). Final versio

Frictional Collisions Off Sharp Objects

This work develops robust contact algorithms capable of dealing with multibody nonsmooth contact geometries for which neither normals nor gap functions can be defined. Such situations arise in the early stage of fragmentation when a number of angular fragments undergo complex collision sequences before eventually scattering. Such situations precludes the application of most contact algorithms proposed to date

Variational integrators, the Newmark scheme, and dissipative systems

Variational methods are a class of symplectic-momentum integrators for ODEs. Using these schemes, it is shown that the classical Newmark algorithm is structure preserving in a non-obvious way, thus explaining the observed numerical behavior. Modifications to variational methods to include forcing and dissipation are also proposed, extending the advantages of structure preserving integrators to non-conservative systems

Arbitrary Dimensional Majorana Dualities and Network Architectures for Topological Matter

Motivated by the prospect of attaining Majorana modes at the ends of nanowires, we analyze interacting Majorana systems on general networks and lattices in an arbitrary number of dimensions, and derive various universal spin duals. Such general complex Majorana architectures (other than those of simple square or other crystalline arrangements) might be of empirical relevance. As these systems display low-dimensional symmetries, they are candidates for realizing topological quantum order. We prove that (a) these Majorana systems, (b) quantum Ising gauge theories, and (c) transverse-field Ising models with annealed bimodal disorder are all dual to one another on general graphs. As any Dirac fermion (including electronic) operator can be expressed as a linear combination of two Majorana fermion operators, our results further lead to dualities between interacting Dirac fermionic systems. The spin duals allow us to predict the feasibility of various standard transitions as well as spin-glass type behavior in {\it interacting} Majorana fermion or electronic systems. Several new systems that can be simulated by arrays of Majorana wires are further introduced and investigated: (1) the {\it XXZ honeycomb compass} model (intermediate between the classical Ising model on the honeycomb lattice and Kitaev's honeycomb model), (2) a checkerboard lattice realization of the model of Xu and Moore for superconducting $(p+ip)$ arrays, and a (3) compass type two-flavor Hubbard model with both pairing and hopping terms. By the use of dualities, we show that all of these systems lie in the 3D Ising universality class. We discuss how the existence of topological orders and bounds on autocorrelation times can be inferred by the use of symmetries and also propose to engineer {\it quantum simulators} out of these Majorana networks.Comment: v3,19 pages, 18 figures, submitted to Physical Review B. 11 new figures, new section on simulating the Hubbard model with nanowire systems, and two new appendice

Nonsmooth Lagrangian mechanics and variational collision integrators

Variational techniques are used to analyze the problem of rigid-body dynamics with impacts. The theory of smooth Lagrangian mechanics is extended to a nonsmooth context appropriate for collisions, and it is shown in what sense the system is symplectic and satisfies a Noether-style momentum conservation theorem. Discretizations of this nonsmooth mechanics are developed by using the methodology of variational discrete mechanics. This leads to variational integrators which are symplectic-momentum preserving and are consistent with the jump conditions given in the continuous theory. Specific examples of these methods are tested numerically, and the long-time stable energy behavior typical of variational methods is demonstrated