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Nonnegative fixed-Hamiltonian canonical heat capacity

Statement

Under the hypotheses of Finite gravitational Gibbs normalization and differentiable moments, keep the box, particle number, mass, regulator, reference measure, and Hamiltonian fixed while varying β>0, and set pβ=ZN(β)−1e−βHN,a. For a measurable observable A:ΓN→R with finite second moment, define ⟨A⟩β:=∫ΓNApβ dνN and Var⁡β(A):=∫ΓN(A−⟨A⟩β)2pβ dνN. Define TK=(kBβ)−1 and CK=d⟨HN,a⟩β/dTK. Then ⟨HN,a⟩β=−∂βlog⁡ZN,∂β⟨HN,a⟩β=−Var⁡β(HN,a),CK=kBβ2Var⁡β(HN,a)≥0. This is a response identity for a fixed Hamiltonian and fixed regulator; it does not assert stability when the Hamiltonian or background varies with temperature.

Facts & Assumptions

Given: The finite softened Gibbs model, β>0, kB>0, and its temperature convention TK=(kBβ)−1.

[F1]

The finite Gibbs density is normalized, and the partition function is twice differentiable with ZN(j)=∫(−HN,a)je−βHN,adνN for j=0,1,2. (Finite gravitational Gibbs normalization and differentiable moments)

Proof

1.1F1algebra

Differentiating log⁡ZN and using ZN′=−∫HN,ae−βHN,adνN gives −∂βlog⁡ZN=ZN−1∫HN,ae−βHN,adνN=⟨HN,a⟩β.

2.1F1step 1.1algebra

The quotient rule and ZN′′=∫HN,a2e−βHN,adνN give ∂β⟨HN,a⟩β=−ZN′′ZN+(ZN′ZN)2=−(⟨HN,a2⟩β−⟨HN,a⟩β2)=−Var⁡β(HN,a). All terms are finite by [F1].

3.1F1step 2.1algebra∎

Since dTK/dβ=−1/(kBβ2), the chain rule yields CK=(d⟨H⟩/dβ)/(dTK/dβ)=kBβ2Var⁡β(HN,a). The variance is the expectation of the nonnegative square (HN,a−⟨HN,a⟩)2, so CK≥0.

Depends on

Dependency tree · 2 levels

Sources