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Confined coupled quadratic canonical systems

Physical scope

Finite classical continuous canonical model with positive diagonal mass matrix, strictly positive stiffness matrix, fixed positive action reference and beta>0; the Lebesgue product calculations assume ACω; no unpinned zero mode or empirical equilibration claim.

Statement

Assume ACω as defined in The Axiom of Countable Choice (ACω) for the Euclidean Lebesgue product measure used below. Let n≥1, let M=diag⁡(m1,…,mn) with mi>0 in kg, and let K be a real symmetric positive-definite stiffness matrix with entries in J m−2. For displacement q∈Rn in metres and momentum p∈Rn in kg m s−1, define H(q,p)=12pTM−1p+12qTKq. Adopt the canonical probability density proportional to e−βH relative to dq dp/h0n, where β>0 has units J−1 and the fixed action reference h0>0 has units J s. Under the preparation of Declared example preparations and thermodynamic interpretation, the dimensionless partition function and moments are Z=(2πβh0)ndet⁡Mdet⁡K,E[q]=E[p]=0,E[qqT]=β−1K−1,E[ppT]=β−1M,E[qpT]=0. The model mean energy is U=E[H]=n/β. With kB>0 in J K−1 and T>0 in K from Declared example preparations and thermodynamic interpretation, so that β=(kBT)−1, define the fixed-parameter heat-capacity response by Charm:=(∂U∂T)M,K,h0=nkB. It has units J K−1. This model has no volume variable, so Charm is not a fixed-volume derivative.

Facts & Assumptions

Given: ACω, n≥1, M positive diagonal, K symmetric positive definite, β>0, fixed h0>0, and the displayed continuous-coordinate canonical model.

[F1]

Declared example preparations and thermodynamic interpretation: in each named model with finite positive Z, the canonical probability is Z−1e−βH relative to the specified reference; U=EH and the fixed-reference thermodynamic interpretation is adopted separately from the probability preparation.

[F2]

Gaussian covariance for positive quadratic forms and a boundary counterexample: assuming ACω, for a symmetric positive-definite quadratic form on Rn, the normalized Gaussian integral is (2π/β)n/2(det⁡K)−1/2, with mean zero and covariance β−1K−1.

[F3]

Under ACω, Euclidean phase-space Lebesgue measure is the product of the q and p Lebesgue measures; Tonelli factors nonnegative densities and Fubini factors their integrable moments (On Borel subsets of R^{m+n}, the product lambda_m times lambda_n agrees with lambda_{m+n}, Tonelli's theorem for nonnegative measurable functions on a sigma-finite product, Fubini's theorem for L^1 functions on a sigma-finite product).

[A1]

The canonical density is a model preparation, not a claim that an isolated trajectory equilibrates or that a laboratory realizes this law.

Proof

1.1givenF1F2F3algebra

By [F1], the phase-space weight factors as e−βpTM−1p/2e−βqTKq/2. The product-measure identity and Tonelli [F3] justify multiplying the two nonnegative Lebesgue integrals. Applying [F2] to the q factor gives normalization (2π/β)n/2(det⁡K)−1/2 and covariance β−1K−1.

1.2givenF2algebra

The momentum quadratic form has symmetric positive-definite matrix M−1. Applying [F2] with K=M−1 gives its integral (2π/β)n/2det⁡M and covariance of p equal to β−1(M−1)−1=β−1M.

2.1A1F3step 1.1step 1.2algebra

Multiplying the two integrals from steps 1.1–1.2 and dividing by the reference factor h0n gives Z=(2π/(βh0))ndet⁡M/det⁡K. The phase-space Lebesgue measure is the product of its q and p factors by [F3]; the normalized canonical density therefore factors into independent q and p laws. Each factor is even, so its mean is zero, and its covariance is the one computed in steps 1.1–1.2.

3.1A1F1step 1.1step 1.2algebra∎

By [F1], taking the expectation of H and summing the diagonal traces of the two covariance identities gives U=12E[pTM−1p]+12E[qTKq]=n2β+n2β=nβ. The adopted relation β−1=kBT makes U=nkBT. Holding the model parameters M,K,h0 fixed therefore gives Charm=(∂U/∂T)M,K,h0=nkB, with units J K−1.

Remarks

Positive definiteness is a confinement condition. If K has a translation zero mode, the full-space configurational integral diverges and this normalized ensemble does not exist without an additional constraint or confinement.

Depends on

Dependency tree · 2 levels

Sources