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Classical Gibbs quantities and SI reference conventions

Physical scope

SI units and reference conventions for the specified classical lattice and continuum Gibbs models; no empirical calibration or material-fit claim.

Definition

Use SI units. Let kB>0 be Boltzmann's constant in joules per kelvin, let T>0 be absolute temperature in kelvin, and define β=(kBT)−1 in joules−1. For a finite-alphabet lattice model in dimension d≥1, the lattice spacing a>0 is in metres; a spin is a dimensionless label. In the nearest-neighbor Ising convention HΛ=−JI∑{i,j}⊂Λ, ∣i−j∣1=1sisj−h∑i∈Λsi, the coupling JI and field parameter h are energies in joules, so βJI and βh are dimensionless. Here h is an energy bias per spin, not by itself a magnetic-field strength.

For a finite nonempty region Λ⊂Zd, set HΛ:=HΛfree from Finite-range lattice interaction and conditional energy, with each physical interaction value Φr and total energy measured in joules. Thus the partition below uses free boundary conditions: only interaction supports contained in Λ contribute. Exterior-conditioned energies EΛ(⋅∣η) and their partitions carry a separate exterior label and are not denoted by this HΛ or ZΛ. Let ZΛ=∑σ∈AΛe−βHΛ(σ) and define dimensionless pressure per site pΛ=∣Λ∣−1log⁡ZΛ. When p=lim⁡n→∞∣Bn∣−1log⁡ZBn exists for cubes Bn=[−n,n]d∩Zd, define physical pressure P=kBT p/ad in J m−d (pascals when d=3). For a stationary state μ on a finite alphabet (a probability invariant under every translation (θjσ)x=σx+j), let Hn=−∑σ∈ABnμBn(σ)log⁡μBn(σ) with 0log⁡0=0; when the limit exists, its Shannon entropy density is hSh=lim⁡n→∞Hn/∣Bn∣ in nats per site. The mean energy per site is u=∑r∈REμ[Φr] in joules per site. Define reference spin entropy density s=kBhSh/ad and free-energy density f=u/ad−Ts; both are per physical volume. Thus f and P have units J m−d, while s has units J K−1 m−d; for d=3 these are the usual per-cubic-metre units.

For a continuum model in dimension d, let x,p∈Rd be position and momentum, let mp>0 be particle mass in kilograms, and use kinetic energy ∣p∣2/(2mp). Assume Countable Choice for the Lebesgue change-of-variables interface The Axiom of Countable Choice (ACω). Tonelli's theorem Tonelli's theorem for nonnegative measurable functions on a sigma-finite product and the one-dimensional Gaussian integral The Gaussian integral ∫−∞∞e−x2 dx=π give ∫Rde−∣q∣2 ddq=πd/2. Set c=β/(2mp)>0 and apply the nonnegative change-of-variables theorem A C^1 diffeomorphism satisfies the change-of-variables formula for nonnegative Lebesgue measurable functions to the C1 diffeomorphism q↦cq of Rd and f(q)=e−∣q∣2. Since its Jacobian determinant is cd, ∫Rde−β∣p∣2/(2mp) ddp=c−dπd/2=(2πmpkBT)d/2. Under the phase-space reference measure ddx ddp/hrefd, with reference action href>0 in joule-seconds, the integrated momentum factor is href−d∫Rde−β∣p∣2/(2mp) ddp=(2πmpkBThref)d=λT−d,λT=href2πmpkBT. For chemical potential μ in joules, define the classical activity zc=eβμλT−d, with units m−d. Thus λT is a length and zc is inverse volume. This momentum integration explains the one-particle thermal factor; it does not derive particle indistinguishability or a factorial convention. The choice of href is a reference convention, not a consequence of the classical equations of motion. For continuum interactions, the potential hypotheses and energy meaning are as in Stability, superstability and regular tails.

The parameter status in these formulas is model-relative. T, a, JI, and h are inputs for the chosen lattice model; mp and μ are inputs for the chosen continuum model. Here h is an energy bias per dimensionless spin, not a magnetic-field strength. The reference action href>0 is a primitive normalization convention, not a derived quantity or an assertion that it equals Planck's constant. In the current SI, kB has the exact defining value 1.380649×10−23 J K−1; it is a fixed SI conversion constant, not a measured fit parameter in this model. The inverse temperature β, thermal wavelength λT, activity zc, pressure and entropy densities, energy density u, entropy density s, and free-energy density f are defined or derived from those inputs and the state as specified above; their formulas do not calibrate the inputs to a material or assert empirical accuracy.

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