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Superquadratic cell coercivity from a divergent or hard core

Statement

Assume the potential of Superstable regular pair interactions and configurational ensemble notation is stable and regular. In addition, assume either (i) χ:(0,r1]→(0,∞) is finite-valued and nonincreasing, ϕ(x)≥χ(∣x∣∞) for 0<∣x∣∞≤r1, and ∫0r1χ(r)rd−1dr=+∞; or (ii) there is a hard-core radius rh>0 such that ϕ(x)=+∞ whenever ∣x∣∞<rh. Then there are a nonnegative nondecreasing h:N0→[0,+∞] with h(0)=0 and h(N)/N2→+∞, and a constant b<∞, such that Hϕ(ω)≥∑i∈Zdh(NCi(ω))−bN(ω). The hard-core alternative permits h(N)=+∞ above the finite packing capacity of a unit cell. This is stronger than ordinary superstability and is not inferred from stability or regularity alone.

Facts & Assumptions

Given: Stability, regularity, the unit-cell partition, and one of the two positive-core alternatives.

[F1]

Superstable regular pair interactions and configurational ensemble notation: if Hϕ≥−BN, applying stability to a two-point configuration gives ϕ(x)≥−2B for every nonzero separation; regularity supplies an integrable lower-tail envelope.

[F2]

Diagonal gap for a decreasing integrable interaction tail: the integrable envelope gives a finite lattice sum outside any sufficiently large fixed gap.

Proof

Given: The hypotheses and suppliers in Facts & Assumptions.

1.1F1F2algebra

Write Ni=NCi(ω). The negative part of each pair potential is bounded both by 2B, where B is the stability constant of ϕ, and, at large separation, by the lower-regular envelope. Set Ψj to a finite constant on the finitely many near-cell offsets and to the envelope evaluated at ∣j∣∞−1 on the remaining offsets. The shell count ∣{j:∣j∣∞=m}∣≤cdmd−1 and the cell-envelope conclusion of [F2] give ∑jΨj<∞. Since NiNj≤(Ni2+Nj2)/2, the total negative pair contribution is at most C∑iNi2 for a finite C.

1.2F1algebraconstruct

In case (i), choose an integer k0≥2 with 1/(k0−1)≤r1. Then χ(1/k) and χ(1/(k−1)) are both defined for every k≥k0. Partition one unit cell into kd half-open cubes of side 1/k, put χk=χ(1/k), and Δχk=χk−χk−1≥0. If the cell contains N points, the identity ∑jnj2−N=2∑j(nj2) and nonnegativity of ∑j(nj−N/kd)2 give at least 12(N2/kd−N) same-subcube pairs at scale k. A fixed pair counted at scale k has separation s<1/k, hence k<1/s; summing its nonnegative weights over all scales where it is counted is at most ∑k=k0⌊1/s⌋Δχk≤χ(s). Thus the positive core energy in the cell dominates the sum of these weighted pair counts. With KN=⌊(N/2)1/d⌋, each k≤KN satisfies N2/kd−N≥N2/(2kd), so the core energy is at least N24∑k=k0KNΔχkkd. Summation by parts writes the coefficient as an initial constant plus ∑k=k0KN−1χk(k−d−(k+1)−d); and k−d−(k+1)−d≥d/(2d+1kd+1). The series ∑kχ(1/k)k−d−1 diverges: on dyadic intervals [2−j−1,2−j], monotonicity bounds the integral above by Cd2−jdχ(2−j−1), while the corresponding block 2j+1≤k<2j+2 contributes at least cd2−jdχ(2−j−1) to that series. The divergent core integral therefore forces the displayed coefficient to tend to infinity.

2.1F1step 1.1step 1.2algebra

In case (i), sum the cell core bound from step 1.2 and subtract the negative-pair bound from step 1.1. The resulting coefficient of Ni2 tends to infinity with Ni. Above a finite threshold it dominates 2CNi2; below that threshold its possible negative remainder is bounded by a constant times Ni. Taking h(N) to be half the positive cell lower bound above the threshold and zero below it gives a nondecreasing extended-valued function with h(N)/N2→∞ and Hϕ≥∑ih(Ni)−bN.

3.1F1algebraconstruct∎

In case (ii), choose k with 1/k<rh and partition every unit cell into kd subcubes. A finite-energy configuration has at most one point in each subcube, so Ni≤kd for every i. Define h(N)=0 for N≤kd and h(N)=+∞ for N>kd. If any cell exceeds this occupancy, the configuration has a forbidden pair and Hϕ=+∞; otherwise stability gives Hϕ≥−BN=∑ih(Ni)−BN. This proves the hard-core alternative.

Depends on

Dependency tree · 2 levels

Sources