Coarse-grained spin density-functional theory: infinite-volume limit via the hyperfinite

Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant on the cells. This coarse-grained setting facilitates a rigorous investigation of the mathematical foundations which goes well beyond what is currently possible in the conventional formualation. Problems of existence, uniqueness and regularity of representing potentials in the coarse-grained SDFT setting are here studied using techniques of (Robinsonian) nonstandard analysis. Every density which is nowhere spin-saturated is V-representable, and the set of representing potentials is the functional derivative, in an appropriate generalized sense, of the Lieb interal energy functional. Quasi-continuity and closure properties of the set-valued representing potentials map are also established. The extent of possible non-uniqueness is similar to that found in non-rigorous studies of the conventional theory, namely non-uniqueness can occur for states of collinear magnetization which are eigenstates of $S_z$.Comment: corrected non-propagating error in Cor. 4.2 and adopted better methods in Sec. 6

In search of the Hohenberg-Kohn theorem

The Hohenberg-Kohn theorem, a cornerstone of electronic density functional theory, concerns uniqueness of external potentials yielding given ground densities of an ${\mathcal N}$-body system. The problem is rigorously explored in a universe of three-dimensional Kato-class potentials, with emphasis on trade-offs between conditions on the density and conditions on the potential sufficient to ensure uniqueness. Sufficient conditions range from none on potentials coupled with everywhere strict positivity of the density, to none on the density coupled with something a little weaker than local $3{\mathcal N}/2$-power integrability of the potential on a connected full-measure set. A second theme is localizability, that is, the possibility of uniqueness over subsets of ${\mathbb R}^3$ under less stringent conditions.Comment: 21 pages, version accepted by Journal of Mathematical Physic

Good ultrafilters and highly saturated models: a friendly explanation

Highly saturated models are a fundamental part of the model-theoretic machinery of nonstandard analysis. Of the two methods for producing them, ultrapowers constructed with the aid of $\kappa^+$-good ultrafilters seems by far the less popular. Motivated by the hypothesis that this is partly due to the standard exposition being somewhat dense, a presentation is given which is designed to be easier to digest.Comment: 8 pages. Comments welcome

Drift-diffusion processes from elimination of fast variables under inhomogeneous conditions

The problem of eliminating fast-relaxing variables to obtain an effective drift-diffusion process in position is solved in a uniform and straightforward way for models with velocity a function jointly of position and fast variables. A more unified view is thereby obtained of the effect of environmental inhomgeneity on the motion of a diffusing particle, in particular, whether a drift is induced, covering both passive and active particles. Infinitesimal generators (equivalently, drift-diffusion fields) for the contracted processes are worked out in detail for several models.Comment: 10 pages. Abstract, introduction, and conclusion have been rewritten to improve clarit

Efficacy of self-phoretic colloids and microswimmers

Within a unified formulation, encompassing self-electrophoresis, self-diffusiophoresis, and self-thermophoresis, we provide a simple integral kernel transforming the relevant surface flux to particle velocity for any spheroid with axisymmetric surface activity and uniform phoretic mobility. We define efficacy, a dimensionless efficiency-like quantity expressing the speed resulting from unit absolute flux density on the surface, which allows a meaningful comparison of the performance of different motor designs. For bipartite designs with piecewise uniform flux over complementary surface regions, the efficacy is mapped out over the entire range of geometry (discotic through sphere to rod-like) and of bipartitioning, and intermediate aspect ratios that maximize efficacy are identified. Comparison is made to experimental data from the literature

Extrapolation theory for Stokes flow past a deformed sphere

We formulate a method for computing Stokes flow past a highly deformed sphere with arbitrarily defined surface velocity. The fundamental ingredient is an explicit extrapolation operator extending a velocity field from the surface of a sphere, which is expressed in terms of a complete set of basis Stokes fields for the pressure and velocity derived from scalar and vector spherical harmonics. We present a matrix algebra packaging suitable for numerical computation to arbitrary order in the deformation amplitude (deviation from sphericity). The hydrodynamic force and torque on a deformed sphere with arbitrary surface velocity are expressed in terms of basis field amplitudes, and for the classic problem of a rotating and translating rigid body, we compute explicitly the first order in deformation corrections to the flow field as well as the hydrodynamic force and torque.Comment: 10 pages, 1 figur

How Much Phase Coherence Does a Pseudogap Need?

It has been suggested that the ``pseudogap'' regime in cuprate superconductors, extending up to hudreds of degrees into the normal phase, reflects an incoherent d-wave pairing, with local superconducting order coherent over a finite length scale $\xi$, insufficient to establish superconductivity. We calculate the single-particle spectral density in such a state from a minimal phenomenological disordered BCS model. When the phase-coherence length exceeds the Cooper pair size, a clear pseudogap appears. The pseudogap regime, however, is found only over a relatively narrow range of phase stiffnesses, hence is not expected to extend more than about 20% above $T_c$.Comment: RevTeX, 4 pages, 5 embedded PostScript figure

Bypassing slip velocity: rotational and translational velocities of autophoretic colloids in terms of surface flux

A standard approach to propulsion velocities of autophoretic colloids with thin interaction layers uses a reciprocity relation applied to the slip velocity. But the surface flux (chemical, electrical, thermal, etc.), which is the source of the field driving the slip is often more accessible. We show how, under conditions of low Reynolds number and a field obeying the Laplace equation in the outer region, the slip velocity can be bypassed in velocity calculations. In a sense, the actual slip velocity and a normal field proportional to the flux density are equivalent for this type of calculation. Using known results for surface traction induced by rotating or translating an inert particle in a quiescent fluid, we derive simple and explicit integral formulas for translational and rotational velocities of arbitrary spheroidal and slender-body autophoretic colloids.Comment: 11 page

Triangular Ising antiferromagnet through a fermionic lens, part 2: information-theoretic aspects of zero-temperature states on cylinders

A classical lattice spin model wrapped on a cylinder is profitably viewed as a chain of rings of spins. From that perspective, mutual information between ring configurations plays much the same role as spin-spin correlation functions in simpler settings. We study zero-temperature states of triangular lattice Ising antiferromagnet (TIAFM) systems from this point of view using a fermionic representation presented in a companion paper (Part 1). On infinite cylinders, ring-to-ring mutual information falls off asymptotically at a rate which decreases smoothly with cylinder circumference, but the end-to-end mutual information for finite cylinders depends strongly on the residue class modulo 3 of the circumference as well as on whether spin periodicity or antiperiodicity is imposed in the circumferential direction. In some cases, the falloff is only as the inverse square of the cylinder length. These features, puzzling within the original spin formulation, are easily understood and calculated within the fermionic formulation

Gaussian Memory in Kinematic Matrix Theory for Self-Propellers

We extend the kinematic matrix ("kinematrix") formalism [Phys. Rev. E 89, 062304 (2014)], which via simple matrix algebra accesses ensemble properties of self-propellers influenced by uncorrelated noise, to treat Gaussian correlated noises. This extension brings into reach many real-world biological and biomimetic self-propellers for which inertia is significant. Applying the formalism, we analyze in detail ensemble behaviors of a 2D self-propeller with velocity fluctuations and orientation evolution driven by an Ornstein-Uhlenbeck process. On the basis of exact results, a variety of dynamical regimes determined by the inertial, speed-fluctuation, orientational diffusion, and emergent disorientation time scales are delineated and discussed.Comment: 8 pages, 4 figure