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Canonical free-cube limit at every interior attainable density
Statement
Let be stable and regular as in Superstable regular pair interactions and configurational ensemble notation, fix , and define as in that definition. For sequences and integers with , define Let be the concave envelope of on , namely the supremum of over finite lists with , , , and ; the empty supremum is . On the interior of , is finite and continuous. For every in that interior and every such sequence , No claim is made at a close-packing endpoint or at any other excluded endpoint.
Facts & Assumptions
Given: Stability with constant , a regular even pair potential, fixed , and the free-cube canonical convention in Superstable regular pair interactions and configurational ensemble notation.
Stability gives for every finite configuration. Regularity supplies and a nonnegative nonincreasing with for and (Superstable regular pair interactions and configurational ensemble notation).
For every sufficiently large gap , the lattice-shell interaction tail is bounded by Diagonal gap for a decreasing integrable interaction tail, with a diagonal choice and vanishing cross-energy density.
The Lebesgue box and product-measure suppliers give volume for the -fold cube and permit factorization over disjoint cores (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 factorial and logarithm suppliers give the integral bounds and for (The factorial and the falling factorial , defined by recursion in , Order, continuity, range, and the product, quotient, and reciprocal laws for the natural logarithm).
Proof
Given: The hypotheses and suppliers in Facts & Assumptions.
Stability and [F3] give . If , the factorial integral bounds [F4] imply so and are bounded above on every compact positive-density interval. The vacuum term gives : is a lower bound, and the same stability estimate with gives a nonpositive upper limit.
The effective domain of has nonempty interior. Fix a core cube of side and a gap ; place one particle in each selected core of a lattice of spacing inside a large box. The absolute interaction from any one occupied core to all others is bounded by by [F1]–[F2], with the gap satisfying the stated hypothesis of the diagonal-gap estimate. Restricting each particle to a subcube of volume therefore gives for every density strictly below , after omitting unused lattice cells. Thus is finite on a nonempty interval of positive densities; by its definition as a finite-mixture envelope it is concave.
Fix a finite list of core preparations with . For each , choose a gap from [F2] along a sequence so that and the positive interaction between distinct cores in the same lattice packing, divided by core volume, tends to zero. Set tile side and effective density . If such tiles carry exactly particles in their central -cubes, the same shell count as in the proof of Free-cube grand-pressure limit for decreasing integrable tails gives cross-energy penalty per occupied volume at most , which tends to zero by [F2]. Exact factorization over disjoint core cubes follows because assigning the labeled coordinates to their cores contributes , cancelling the global .
For any finite convex combination in the definition of , choose core preparations with densities tending to its and rates tending to . If their effective densities do not strictly bracket the target , add arbitrarily small weights at one attainable density below and one above ; such densities exist because is interior. Their mixture coefficients can then be perturbed by quantities tending to zero so the effective mean is exactly . Place the fixed core types in finitely many macroscopic slabs with these volume fractions, inserting fixed empty layers wider than between slabs. For fixed core sizes and gaps, the distinct-slab cross energy divided by total volume tends to zero: for interaction distances at most , only particles lie in the interface strips, while the remaining contribution is bounded by a constant times ; take and then .
First reserve an outer layer of fixed width . For each large , put and choose the slab fractions in the remaining volume to match the count at density . This target tends to , so the strict bracketing in step 3.1 applies uniformly for large and absorbs the reserved layer without assuming its one-particle capacity replaces a bulk density. Rounding the finitely many slab and core counts then leaves at most particles unplaced, with depending on the fixed preparations but not on ; the error comes only from the finitely many slab faces and incomplete boundary tiles. Choose large enough to contain at least small cells separated from each other and every core by more than . Put each missing particle in one such cell. Its interaction with the fixed preparations is bounded by the same summable tail, so the correction changes log weight by only . This constructs exactly particles for every sequence , and gives where by step 2.1. Taking preparations approaching the selected convex combination and then the supremum gives .
By the definition of , every sequence with density tending has limsup rate at most . Together with step 4.1 this proves the asserted limit. A finite concave function on an open interval is continuous: fix in the interval; the chord slopes from and bound the difference quotients on a smaller interval around , yielding a finite local Lipschitz bound. This establishes finiteness and continuity of on its effective interior while leaving excluded endpoints undecided.
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
Order, continuity, range, and the product, quotient, and reciprocal laws for the natural logarithm
Free-cube grand-pressure limit for decreasing integrable tails