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The velocity-Verlet step of the model's mechanical splitting is a canonical map of the presentation: exact flows of the drift and kick, unit determinant, and the oscillator check

Physical scope

A worked verification that the velocity-Verlet step of the declared one-label potential presentation is a canonical map: the drift and kick are the exact time-h flows of the kinetic and potential parts of the branch Hamiltonian, the composite satisfies the matrix identity in exact arithmetic, and the isotropic-oscillator instance is checked explicitly with unit determinant. All quantities are model values of the declared idealization in exact arithmetic; no measurement or roundoff claim is made.

Example

Declare the one-label model of the force branch Adopted force model: force maps, the equation of motion, additive composition of force contributions and frame covariance with N=1, mass m>0, time window R, configuration domain Q=R3, a time-independent C3 potential U and no residual forces (Configuration domain of N labeled particles: open admissible sets, regular holonomic constraints and the mass operator, Potential presentations of a force model, potential and mechanical energy, closed versus exact force fields, local potentials and equipotential level sets, The action functional of a force model with a potential presentation: the mechanical Lagrangian, its chart instance and its dimensions); by Every potential presentation is hyperregular in its charts, with inverse branch v=M−1p (or G(q)−1p) and the explicit kinetic-plus-potential Hamiltonian the branch Hamiltonian is H(x,p)=∣p∣2/(2m)+U(x) (The Hamiltonian of a hyperregular potential presentation: the Legendre transform of the mechanical Lagrangian, its domain and its dimensions). Consider the mechanical splitting H=A+B with A(x,p)=∣p∣2/(2m) and B(x,p)=U(x), the drift and kick maps

Dh(x,p)=(x+h m−1p, p),Kh(x,p)=(x, p−h∇U(x)),

and the velocity-Verlet map Vh=Kh/2∘Dh∘Kh/2, defined wherever the composition exists (The splitting Hamiltonian H=A+B, the drift and kick maps, and the velocity-Verlet map with the mass matrix M=mI3 and V=U). In this physical presentation h is a time increment with [h]=τ.

For the numerical-error assertion in claim 4, choose reference scales ℓ∗>0, p∗>0, τ∗>0 and use dimensionless coordinates x^=x/ℓ∗, p^=p/p∗, t^=t/τ∗, canonical for the normalized form ω^:=ω/(ℓ∗p∗)=∑idx^i∧dp^i, and the normalized Hamiltonian H^=τ∗H/(ℓ∗p∗), and h^=h/τ∗. The product ℓ∗p∗ has action dimension, so H^ is dimensionless. All error norms and derivative bounds in that claim are those of the dimensionless phase vector z^=(x^,p^) with its ordinary Euclidean norm. In these coordinates H^=12p^TM^−1p^+U^(x^), where M^=(ℓ∗m/(τ∗p∗))I3 is positive and U^(x^)=τ∗U(ℓ∗x^)/(ℓ∗p∗) is C3. For a physical horizon Tphys, write T^=Tphys/τ∗. Write Φ^ and V^h^ for the exact flow and Verlet map of H^ in these normalized variables. Then:

  1. Dh is the exact time-h flow of the Hamiltonian field of A, whose components are XA=(m−1p,0); and Kh is the exact time-h flow of the field of B, XB=(0,−∇U(x)), because along the horizontal trajectory x is constant and the momentum moves at the constant rate −∇U(x);
  2. consequently Vh is a canonical map of the presentation in exact arithmetic: DVhTJ DVh=J and Vh∗ω=ω wherever Vh is defined and C1 (The drift, kick and velocity-Verlet maps are canonical: (DC)TJ DC=J and C∗ω=ω, Canonical maps of a potential presentation: pullback-preserving immersions and the equal-dimensional determinant and field-transport tests, A C1 map between phase domains preserves the standard two-form iff DCTJ DC=J, and a canonical diffeomorphism carries XH∘C to XH); the separate drift and kick maps are canonical as well, and claim 1 identifies them as exact time-h flows of their respective split-component fields;
  3. explicit check on the isotropic oscillator instance U(x)=12k∣x∣2 with k>0 and stiffness dimension [k]=μτ−2: on each coordinate pair,

Vh(q,p)=(q+hmp−h2k2mq,  p−hkq−h2k2mp+h3k24mq),DVh=(1−h2k2mhm−hk+h3k24m1−h2k2m),

and det⁡DVh=(1−h2k2m)2−hm(−hk+h3k24m)=1; in dimension two, det⁡DVh=1 is equivalent to canonicity (Determinant tests on explicit linear maps: det⁡A=1 is equivalent to canonicity in dimension two, and strictly weaker in dimension four (the volume-preserving shear)). In grouped coordinates (x,p) the full derivative has the corresponding 3×3 scalar blocks; under the permutation to interleaved order it is diag⁡(DVh,DVh,DVh) and the canonical matrix is diag⁡(J2,J2,J2). Thus the full matrix identity and determinant-one claim hold on the six-dimensional instance; 4. accuracy and scope. Assume that in the normalized coordinates there are an open bounded convex tube W^ in the phase domain, a nonempty compact set K^⊆W^ and r>0 with K^+B‾r(0)⊆W^, and finite bounds M0=sup⁡W^∥XH^∥2, L1=sup⁡W^∥DXH^∥2 and L2=sup⁡W^∥D2XH^∥2. The local-error lemma then supplies constants h^1>0 and C1<∞. For T^>0, 0<∣h^∣≤h^1, and n∈N with n∣h^∣≤T^, suppose both exact points y^j=Φ^jh^(z^0) and numerical points z^j=V^h^ j(z^0) remain in K^ for every 0≤j≤n. Then the suppliers give ∥V^h^(z^)−Φ^h^(z^)∥2≤C1∣h^∣3 for z^∈K^, and ∥z^n−y^n∥2≤C1h^2(eL^T^−1)/L^ when L^=L1>0, or C1T^h^2 when L^=0 (The velocity-Verlet step matches the exact flow through order two: local truncation error O(h3) on a convex tube, Finite-time global error of the velocity-Verlet method: ∥zn−Φnh(z0)∥≤C(eLT−1)h2/L). The constants depend on the declared normalized tube bounds; the retention and small-step hypotheses are assumptions. Roundoff, all-time energy claims and the holomorphic-domain hypotheses of the analytic estimates are outside this example and are governed by Scope of the certified velocity-Verlet estimates: exact arithmetic, compact tubes, roundoff, and absent all-time claims.

All statements are about exact arithmetic on the declared idealization; no measurement or floating-point claim is made.

Facts & Assumptions

Given: The one-label model with its branch Hamiltonian and its mechanical splitting, the drift and kick maps, and the velocity-Verlet composite.

[F2]

Splitting and its canonical maps (The splitting Hamiltonian H=A+B, the drift and kick maps, and the velocity-Verlet map, The drift, kick and velocity-Verlet maps are canonical: (DC)TJ DC=J and C∗ω=ω, Canonical maps of a potential presentation: pullback-preserving immersions and the equal-dimensional determinant and field-transport tests, A C1 map between phase domains preserves the standard two-form iff DCTJ DC=J, and a canonical diffeomorphism carries XH∘C to XH): with A, B, Dh, Kh, Vh=Kh/2∘Dh∘Kh/2 as in the cited definition, DDhTJ DDh=J, DKhTJ DKh=J and DVhTJ DVh=J on the sets where the maps are defined; when their full segments stay in the phase domain, Dh and Kh are the time-h maps of the local flows of the fields of A and B.

[F4]

Error estimates (The velocity-Verlet step matches the exact flow through order two: local truncation error O(h3) on a convex tube, Finite-time global error of the velocity-Verlet method: ∥zn−Φnh(z0)∥≤C(eLT−1)h2/L): after the displayed dimensionless normalization, the local supplier assumes an open bounded convex tube, a compact set with positive tube margin, a C3 potential and finite bounds on XH^ and its first two derivatives; it gives h^1,C1 and the C1∣h^∣3 one-step defect. The finite-time supplier additionally assumes 0<∣h^∣≤h^1, n∣h^∣≤T^, and that both exact and numerical points stay in the compact set at every step; with L^=sup⁡∥DXH^∥, it gives the bound stated in claim 4, including the L^=0 case. Both results are exact-arithmetic mathematical estimates, not error observations.

Verification

technique · direct. Identify the drift and kick with the exact flows of the two parts, apply the canonical-form preservation of the splitting maps, and evaluate the oscillator composite and its determinant
1.1F1F2algebra

On the Cartesian chart the fields are XA=(m−1p,0) and XB=(0,−∇U(x)); the curve t↦(x+tm−1p,p) solves x˙=m−1p, p˙=0, so it is the time-h map Dh of XA, and the curve t↦(x,p−t∇U(x)) solves x˙=0, p˙=−∇U(x), so it is the time-h map Kh of XB; this is claim 1.

1.2F1F2F3algebra

Oscillator composite: for U=12k∣x∣2, ∇U=kx; applying Kh/2, then Dh, then Kh/2 to one coordinate pair gives the displayed update and derivative block A=DVh. Its determinant expands to 1−h2km+h4k24m2+h2km−h4k24m2=1, so the two-dimensional determinant test gives ATJ2A=J2. In grouped order (x,p) the full derivative is Mh=(aI3bI3cI3aI3), where a=1−h2k/(2m), b=h/m, and c=−hk+h3k2/(4m). The permutation to interleaved order conjugates Mh to diag⁡(A,A,A) and the grouped canonical matrix to diag⁡(J2,J2,J2); hence MhTJgrMh=Jgr and det⁡Mh=(det⁡A)3=1. This is claim 3.

1.3givenF4

Accuracy and scope: the instantiated step is the velocity-Verlet map of the splitting data, so [F4] applies and gives the cubic local and quadratic finite-time error statements in exact arithmetic, with the recorded scope limitations; this is claim 4.

2.1F2step 1.1

Canonical character: by [F2] the derivatives of Dh, Kh and their composite Vh satisfy the matrix identity, so each map is canonical and preserves the two-form. Step 1.1 identifies the drift and kick as exact time-h flows of their respective split-component fields; this proves claim 2.

3.1step 1.1step 1.2step 1.3step 2.1∎

Collecting steps 1.1, 1.2, 1.3 and 2.1 proves the four claims on the declared data.

Depends on

Dependency tree · 2 levels

Sources