The fate of vacancy-induced supersolidity in 4He

The supersolid state of matter, exhibiting non-dissipative flow in solids, has been elusive for thirty five years. The recent discovery of a non-classical moment of inertia in solid 4He by Kim and Chan provided the first experimental evidence, although the interpretation in terms of supersolidity of the ideal crystal phase remains subject to debate. Using quantum Monte Carlo methods we investigate the long-standing question of vacancy-induced superflow and find that vacancies in a 4He crystal phase separate instead of forming a supersolid. On the other hand, non-equilibrium vacancies relaxing on defects of poly-crystalline samples could provide an explanation for the experimental observations.Comment: 4 pages,4 figures. Replaced with published versio

Enhanced Eshelby twist on thin wurtzite InP nanowires and measurement of local crystal rotation

We have performed a detailed study of the lattice distortions of InP wurtzite nanowires containing an axial screw dislocation. Eshelby predicted that this kind of system should show a crystal rotation due to the dislocation induced torque. We have measured the twisting rate and the dislocation Burgers vector on individual wires, revealing that nanowires with a 10-nm radius have a twist up to 100% larger than estimated from elasticity theory. The strain induced by the deformation has a Mexican-hat-like geometry, which may create a tube-like potential well for carriers

Effects of Space Charge, Dopants, and Strain Fields on Surfaces and Grain Boundaries in YBCO Compounds

Statistical thermodynamical and kinetically-limited models are applied to study the origin and evolution of space charges and band-bending effects at low angle [001] tilt grain boundaries in YBa$_2$Cu$_3$O$_7$ and the effects of Ca doping upon them. Atomistic simulations, using shell models of interatomic forces, are used to calculate the energetics of various relevant point defects. The intrinsic space charge profiles at ideal surfaces are calculated for two limits of oxygen contents, i.e. YBa$_2$Cu$_3$O$_6$ and YBa$_2$Cu$_3$O$_7$. At one limit, O$_6$, the system is an insulator, while at O$_7$, a metal. This is analogous to the intrinsic and doping cases of semiconductors. The site selections for doping calcium and creating holes are also investigated by calculating the heat of solution. In a continuum treatment, the volume of formation of doping calcium at Y-sites is computed. It is then applied to study the segregation of calcium ions to grain boundaries in the Y-123 compound. The influences of the segregation of calcium ions on space charge profiles are finally studied to provide one guide for understanding the improvement of transport properties by doping calcium at grain boundaries in Y-123 compound.Comment: 13 pages, 5 figure

An intrinsic nonlinear scale governs oscillations in rapid fracture

When branching is suppressed, rapid cracks undergo a dynamic instability from a straight to an oscillatory path at a critical velocity $v_c$. In a systematic experimental study using a wide range of different brittle materials, we first show how the opening profiles of straight cracks scale with the size $\ell_{nl}$ of the nonlinear zone surrounding a crack's tip. We then show, for all materials tested, that $v_c$ is both a fixed fraction of the shear speed and, moreover, that the instability wavelength is proportional to $\ell_{nl}$. These findings directly verify recent theoretical predictions and suggest that the nonlinear zone is not passive, but rather is closely linked to rapid crack instabilities.Comment: 4 pages, 4 figures + supplementary informatio

Stress-free states of continuum dislocation fields: Rotations, grain boundaries, and the Nye dislocation density tensor

We derive general relations between grain boundaries, rotational deformations, and stress-free states for the mesoscale continuum Nye dislocation density tensor. Dislocations generally are associated with long-range stress fields. We provide the general form for dislocation density fields whose stress fields vanish. We explain that a grain boundary (a dislocation wall satisfying Frank's formula) has vanishing stress in the continuum limit. We show that the general stress-free state can be written explicitly as a (perhaps continuous) superposition of flat Frank walls. We show that the stress-free states are also naturally interpreted as configurations generated by a general spatially-dependent rotational deformation. Finally, we propose a least-squares definition for the spatially-dependent rotation field of a general (stressful) dislocation density field.Comment: 9 pages, 3 figure

Elastic forces that do no work and the dynamics of fast cracks

Elastic singularities such as crack tips, when in motion through a medium that is itself vibrating, are subject to forces orthogonal to the direction of motion and thus impossible to determine by energy considerations alone. This fact is used to propose a universal scenario, in which three dimensionality is essential, for the dynamic instability of fast cracks in thin brittle materials.Comment: 8 pages Latex, 1 Postscript figur

An elastoplastic theory of dislocations as a physical field theory with torsion

We consider a static theory of dislocations with moment stress in an anisotropic or isotropic elastoplastical material as a T(3)-gauge theory. We obtain Yang-Mills type field equations which express the force and the moment equilibrium. Additionally, we discuss several constitutive laws between the dislocation density and the moment stress. For a straight screw dislocation, we find the stress field which is modified near the dislocation core due to the appearance of moment stress. For the first time, we calculate the localized moment stress, the Nye tensor, the elastoplastic energy and the modified Peach-Koehler force of a screw dislocation in this framework. Moreover, we discuss the straightforward analogy between a screw dislocation and a magnetic vortex. The dislocation theory in solids is also considered as a three-dimensional effective theory of gravity.Comment: 38 pages, 6 figures, RevTe

Nucleation in Systems with Elastic Forces

Systems with long-range interactions when quenced into a metastable state near the pseudo-spinodal exhibit nucleation processes that are quite different from the classical nucleation seen near the coexistence curve. In systems with long-range elastic forces the description of the nucleation process can be quite subtle due to the presence of bulk/interface elastic compatibility constraints. We analyze the nucleation process in a simple 2d model with elastic forces and show that the nucleation process generates critical droplets with a different structure than the stable phase. This has implications for nucleation in many crystal-crystal transitions and the structure of the final state

Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations

Atomistic computations of the Peierls stress in fcc metals are relatively scarce. By way of contrast, there are many more atomistic computations for bcc metals, as well as mixed discrete-continuum computations of the Peierls-Nabarro type for fcc metals. One of the reasons for this is the low Peierls stresses in fcc metals. Because atomistic computations of the Peierls stress take place in finite simulation cells, image forces caused by boundaries must either be relaxed or corrected for if system size independent results are to be obtained. One of the approaches that has been developed for treating such boundary forces is by computing them directly and subsequently subtracting their effects, as developed by V. B. Shenoy and R. Phillips [Phil. Mag. A, 76 (1997) 367]. That work was primarily analytic, and limited to screw dislocations and special symmetric geometries. We extend that work to edge and mixed dislocations, and to arbitrary two-dimensional geometries, through a numerical finite element computation. We also describe a method for estimating the boundary forces directly on the basis of atomistic calculations. We apply these methods to the numerical measurement of the Peierls stress and lattice resistance curves for a model aluminum (fcc) system using an embedded-atom potential.Comment: LaTeX 47 pages including 20 figure

Finite Sized Atomistic Simulations of Screw Dislocations

The interaction of screw dislocations with an applied stress is studied using atomistic simulations in conjunction with a continuum treatment of the role played by the far field boundary condition. A finite cell of atoms is used to consider the response of dislocations to an applied stress and this introduces an additional force on the dislocation due to the presence of the boundary. Continuum mechanics is used to calculate the boundary force which is subsequently accounted for in the equilibrium condition for the dislocation. Using this formulation, the lattice resistance curve and the associated Peierls stress are calculated for screw dislocations in several close packed metals. As a concrete example of the boundary force method, we compute the bow out of a pinned screw dislocation; the line-tension of the dislocation is calculated from the results of the atomistic simulations using a variational principle that explicitly accounts for the boundary force.Comment: LaTex, 20 pages, 11 figure