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Free-cube grand-pressure limit for decreasing integrable tails
Statement
Let be stable and regular as in Superstable regular pair interactions and configurational ensemble notation, with stability constant , and fix . For free-boundary cubes define . Then exists and is finite. This theorem assumes only stability and the decreasing integrable two-sided tail in regularity; it does not assert canonical fixed-density convergence, periodic-boundary equality, or arbitrary-region limits.
Facts & Assumptions
Given: Dimension , a stable regular pair potential, its stability constant , and fixed numerical length and energy units.
Stability means for every finite configuration, and the grand partition uses the normalization in Superstable regular pair interactions and configurational ensemble notation.
Superstable regular pair interactions and configurational ensemble notation: for some nonnegative nonincreasing and , for , with finite weighted integral .
Diagonal gap for a decreasing integrable interaction tail: and there are gaps with and .
The real exponential function and the number by a power series, The exponential addition formula , The factorial and the falling factorial , defined by recursion in , and Series in the nonnegative extended real line: the nonnegative exponential series sums to , , and nonnegative grand terms may be split into a finite partial sum and its tail.
Tonelli's theorem for nonnegative measurable functions on a sigma-finite product: nonnegative sums and product integrals factor over finitely many disjoint regions.
Proof
Given: The hypotheses and suppliers in Facts & Assumptions.
Put . For every -point configuration, by [A1]. Applying [F3] to the finite-volume integral gives . Summing by [F4] yields ; the empty configuration contributes exactly , so .
Choose and an integer cutoff with . For , , so Because , the truncated sum satisfies .
Fix a core side and a gap . Place disjoint core cubes of side in on the lattice of spacing . Restrict every core to at most particles. If two core indices differ by maximum norm , every pair between them has separation at least in maximum norm. The number of offsets in shell is . By [F1], the sum of positive cross-core pair energies is therefore at most Negative cross-core energies only increase the Boltzmann weight. Splitting the grand sum by the particle counts in these disjoint cores, Tonelli [F5] and the multinomial coefficient show that the global cancels the assignments of labeled coordinates to cores. Thus
Divide the last inequality by and let with fixed. Since , [F2] gives where bounds for and absorbs the fixed shell-count constant and .
The numbers lie in by step 1.1, so choose with . Set from [F2]. Then , the volume fraction tends to , the cutoff logarithm divided by tends to zero, and the cross-core error tends to zero. Step 4.1 therefore yields . The reverse inequality is automatic for every real sequence, so the limit exists; step 1.1 makes it finite.
Depends on
Superstable regular pair interactions and configurational ensemble notation
Diagonal gap for a decreasing integrable interaction tail
Lebesgue measurable sets, the family , and the restricted set function
The product measure of two sigma-finite measure spaces
Lebesgue measure is sigma-finite, and every metrically bounded subset of has finite outer measure
A box in with parameters is Lebesgue measurable of measure , whichever of its faces are included
For sigma-finite factors, the product measure exists, has the rectangle formula, is sigma-finite, and is unique
Tonelli's theorem for nonnegative measurable functions on a sigma-finite product
The real exponential function and the number by a power series
The exponential addition formula
The factorial and the falling factorial , defined by recursion in
Series in the nonnegative extended real line