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Constrained dynamics shake and rattle — Examples

1 · Prerequisites

2 · Summary

The examples compute RATTLE for a free rigid bond and derive the constrained multiplier for a pendulum. A pair of nearly dependent constraints shows how the multiplier Schur matrix loses uniform conditioning while each fixed system remains regular. The final example separates scaled solver residuals from their state error and gives the global accumulation envelope on a compact phase tube after local consistency restoration; a fixed residual tolerance alone does not certify convergence as the step is refined.

3 · Logical flowchart

4 · Definitions, theorems and proofs

None yet.

5 · Examples, counterexamples and false statements

ExampleConstruction: AI-generatedVerification: AI-generatedjudge pass (gpt-6-luna)Open item page →

The constrained pendulum multiplier follows from tangency

Example

For a planar pendulum of mass m>0 and rod length ℓ>0, let M=mI2, V(q)=mgq2, and c(q)=(∥q∥22−ℓ2)/2. If c(q)=0 and qTp=0, the multiplier in the constrained equations is λ(q,p)=∥p∥22/m−mgq2ℓ2. At the bottom rest state q=(0,−ℓ), p=0, this gives λ=mg/ℓ and zero acceleration.

Facts & Assumptions

Given: M=mI2, the constraint and potential in the Example, and consistent data c(q)=0, qTp=0.

[F1]

Regular holonomic phase space and constrained dynamics: A(q)=J(q)M−1J(q)T and λ=A−1(D2c[v,v]−JM−1∇V), where v=M−1p.

[F2]

The constrained Hamiltonian vector field has a unique local flow: these equations define the unique local constrained flow for consistent data in the regular chart.

Verification

1.1givenF1algebra

Here J(q)=qT, A(q)=qTq/m=ℓ2/m, D2c[v,v]=∥p∥22/m2, and JM−1∇V=gq2. Substitution into [F1] gives λ=(∥p∥22/m−mgq2)/ℓ2.

2.1F1F2step 1.1algebra∎

At q=(0,−ℓ) and p=0, the multiplier is mg/ℓ. The acceleration is p˙=−mg(0,1)−λ(0,−ℓ)=(0,0); moreover c(q)=0 and qTp=0, so this is a consistent equilibrium of the local flow [F2].

ExampleConstruction: AI-generatedVerification: AI-generatedOpen item page →

RATTLE gives an exact step and a cubic phase defect for a free rigid bond

Example

Let M=mI2, m,ℓ,ω>0, V=0, and c(q)=(∥q∥22−ℓ2)/2. Start from q0=(ℓ,0) and p0=(0,mωℓ), and take 0<hω≤12. The selected exact RATTLE step has q1=ℓ(1−h2ω2,hω),p1=mωℓ(−hω,1−h2ω2). Its position constraint and momentum tangency are exact. The exact constrained flow rotates by angle hω, whereas RATTLE rotates by arcsin⁡(hω), so the one-step phase defect is O(h3) as hω→0.

Facts & Assumptions

Given: M=mI2, the circle constraint, the free-particle potential, initial data, and step range in the Example.

[F1]

Regular holonomic phase space and constrained dynamics: consistency is c(q)=0 and qTM−1p=0.

[F2]

Scaled classical RATTLE step map: the exact position and momentum updates use the two force-level multipliers and impose c(q1)=0 and q1TM−1p1=0.

[F3]

The constrained Hamiltonian vector field has a unique local flow: consistent data evolve by q˙=M−1p and p˙=−∇V−JTλ.

[F4]

Multivariable Taylor formula with a Lagrange remainder along a line segment: a C3 scalar function on a convex interval has its degree-two Taylor polynomial with a cubic Lagrange remainder.

Verification

1.1givenF1F2algebra

The initial data are consistent because ∥q0∥2=ℓ and q0Tp0=0. The position multiplier equation gives q1=q0+hm(p0−hλq0); choosing λ=m(1−1−h2ω2)/h2=mω2/(1+1−h2ω2) yields the stated q1, whose squared norm is ℓ2. This multiplier tends to mω2/2, the position branch center.

2.1F1F2step 1.1algebra

With μ=λ, the final RATTLE equation gives the stated p1; μ has the same limit mω2/2, so the unique local branch selects this root. Direct multiplication gives q1Tp1=0 and ∥p1∥2=mωℓ, so both exact constraints hold.

3.1F3F4step 1.1step 2.1algebra∎

The continuous multiplier is λc=mω2, hence the exact flow is q(t)=ℓ(cos⁡ωt,sin⁡ωt) and p(t)=mωℓ(−sin⁡ωt,cos⁡ωt). This solves [F3] and agrees with the initial data. The RATTLE position angle is θh=arcsin⁡(hω). Taylor's theorem [F4] on 0≤hω≤1/2 gives arcsin⁡(hω)−hω=O((hω)3). Since ω is fixed, the angle defect is O(h3) as stated.

ExampleConstruction: AI-generatedVerification: AI-generatedOpen item page →

Nearly dependent constraints make the multiplier solve ill conditioned

Example

For 0<ϵ≤1, take M=I3 and cϵ(q)=(q3,q3+ϵq2). The Jacobian has full row rank for every fixed ϵ>0, but Aϵ=JϵJϵT=(1111+ϵ2) has smallest eigenvalue 2ϵ2/(2+ϵ2+4+ϵ4)∼ϵ2/2. Thus the inverse multiplier bound in the RATTLE residual estimate is not uniform as the constraints approach dependence. At ϵ=0 the rank hypothesis fails.

Facts & Assumptions

Given: The family cϵ, M=I3, and the RATTLE multiplier matrix Aϵ in the Example.

[F1]

Regular holonomic phase space and constrained dynamics: regularity requires full row rank of J and invertibility of A=JM−1JT.

[F2]

Scaled RATTLE residuals bound the finite solve trajectory error: on a fixed compact phase tube, residual-to-state constants depend in particular on uniform inverse bounds for the multiplier matrices; each fixed ϵ>0 is regular, but these inverse bounds are not uniform as ϵ↓0.

Verification

1.1givenF1algebra

The two rows (0,0,1) and (0,ϵ,1) of Jϵ are linearly independent exactly when ϵ>0. Their Gram matrix is the displayed Aϵ, whose trace is 2+ϵ2 and determinant is ϵ2.

2.1step 1.1algebra

The quadratic formula gives its eigenvalues (2+ϵ2±4+ϵ4)/2. Rationalizing the smaller one gives 2ϵ2/(2+ϵ2+4+ϵ4), so ϵ−2λmin⁡(Aϵ)→1/2 and ∥Aϵ−1∥2→∞.

3.1F1F2step 2.1∎

Consequently no single residual-to-multiplier constant works for this family as ϵ↓0; this is consistent with [F2], whose uniform estimates assume a fixed compact chart with uniformly bounded A−1. At ϵ=0 the two rows coincide, so [F1]'s full-rank hypothesis fails.

ExampleConstruction: AI-generatedVerification: AI-generatedOpen item page →

A fixed RATTLE residual budget allows an O(epsilon) drift envelope

Example

Fix compact phase tubes C0⊂relint⁡(C1) in a convex phase-coordinate chart with closure inside a regular chart, and T>0. Put h=T/N and suppose the exact-solve RATTLE iterates from the common initial state stay in C0 for the grids considered. Suppose every finite RATTLE solve succeeds, its branch iterates stay in the selected local balls over C1, and its scaled residuals are bounded by a fixed sufficiently small ε>0. After each output apply the consistency retraction from Holonomic phase residuals control distance to the consistent phase manifold before the next step. For sufficiently small h, the restored trajectory stays in C1 and has an O(Tε) global error envelope relative to exact-solve RATTLE; refinement alone does not force this upper bound to vanish. If both scaled residual tolerances are instead O(h2), the global solver contribution is O(h2), while the unprojected solver outputs have position and tangency residuals O(h4) and O(h3). These are upper bounds; they do not assert a matching lower bound or that residual tolerances alone certify forward error.

Facts & Assumptions

Given: The compact phase tubes and fixed horizon T>0 in the Example, step h=T/N, successful finite RATTLE solves with multiplier iterates in the selected branch balls, the consistency restoration specified there, and the scaled residual hypotheses.

[F1]

Scaled RATTLE residuals bound the finite solve trajectory error: on a compact phase tube, for the restored trajectory per-step perturbations are bounded by C∣h∣(εq+εp); O(h2) scaled residuals yield an O(h2) global error relative to exact-solve RATTLE.

[F2]

Scaled RATTLE equations have unique local multiplier branches: on a compact phase tube the selected exact map is smooth in local coordinates with uniformly bounded derivatives and is the identity at h=0.

[F4]

Implicit residuals and their update and derivative units: a residual norm is not a forward-error estimate without a separate inverse or stability bound.

Verification

1.1F1F2F3givenalgebra

For εq,εp≤ε at every step, [F1] gives, until a first exit from C1, the recurrence en+1≤(1+Lh)en+2Chε for the restored trajectory. Iteration yields eN≤2CTeLTε. Choose ε so this is less than the coordinate distance from C0 to the boundary of C1; then no first exit occurs, and the uniform upper-bound envelope holds. It need not shrink as h→0.

2.1F1step 1.1algebra

If instead εq,εp≤Kh2, [F1] makes each additive perturbation at most 2CKh3, and the same sum gives global error O(h2); for sufficiently small h this is below the tube margin, so again there is no first exit. The unscaled residuals are h2εq=O(h4) and hεp=O(h3).

3.1F1F4step 2.1∎

These bounds rely on the inverse and stability estimates in [F1]. As [F4] states, the residual-tolerance status alone is not a forward-error certificate; the explicit consistency restoration is also part of this repeated-step example.

Sources