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September 6, 2026International Journal of Modern Physics B

From reduced phonon observables to an invariant local saddle: canonical saddle-center transport and an intrinsic threshold law

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Authors

AGAndrea Giordano

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Overview

Theoretical modeling reveals saddle-center transport across reduced phonon observable simplices, indicating intrinsic dynamical threshold laws for crystal mixtures.

Key Points

  • To establish a dynamical space from reduced phonon observables and evaluate whether it hosts canonical saddle-center transport and an intrinsic energy threshold law.
  • Constructed a two-dimensional simplex of spectral mixtures from normalized phonon and neutron-weighted spectra for material trios, including B2 TlBr–CsBr–RbI.
  • Defined a saddle–center Hamiltonian on the observable simplex cotangent bundle by combining a square-root immersion pullback metric with a logarithmic contrast potential.
  • Computed fourth-order canonical normal forms on the transition-state normally hyperbolic invariant manifold (NHIM) and conducted an exhaustive census across 56 B2 triples with B1, B3, and FCC controls.
  • Derived a quartic canonical normal form with hyperbolic rate λ = 1.077, elliptic angular frequency ω = 0.884, and a fourth-order excess reduced-energy law ΔH = 1.077 J_x + 0.884 J_y - 0.057 J_y².
  • Identified a saddle at barycentric weights (0.134, 0.470, 0.396), where a full-Brillouin-zone phonon density-of-states centroid of 7.92 meV set the Hamiltonian time unit to 0.523 ps.
  • Identified saddles in 28 of 56 eligible B2 triples, confirming nonrecrossing transport, signed thresholds, and logarithmic delay across distinct crystal systems.

Cite This Study

Andrea Giordano (2026) studied this question.

synapsesocial.com/papers/6a9d1e4528139818eab211a6https://doi.org/10.1142/s0217979226502668
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