Smallenburg reports near-melting point simulations and observes a well-predicted spontaneous nucleation with mixed, finite-time morphology, in a Comment on our recent Perspective. The Comment's incorrect broader takeaway --- that equilibrium coexistence is"readily achievable"--- rests on an untested generalization from a single state point near the phase envelope, and misses entirely the intriguing role played by Frenkel's underlying mechanism. We reiterate the salient point missed by the Comment: the nucleation time grows astronomically with just tenths of a percent of volume fraction away from 53%. This phenomenology emerges from the entropy exchange mechanism Frenkel described, which predicts that spontaneous phase separation is dynamically accessible only down to about 53% volume fraction from the melting point, and astronomically long waiting times through most of the remaining phase envelope. We provide here calculations to address the potential misconception created by the Comment.
Nucleation rates are exponentially sensitive to the thermodynamic driving force and can therefore depend strongly on the treatment of long-range intermolecular interactions. Here, using the Lennard--Jones (LJ) system as a benchmark, we combine molecular dynamics (MD) simulations, jumpy forward-flux sampling (jFFS), and...
Fernanda Sulantay Vargas, Kimia Sinaeian, A. Haji-Akbari· 0 citations
Nucleation is a key rate-limiting process in phase transition and phase separation. Recent studies highlight a significant discrepancy between experimentally measured nucleation rates and theoretical predictions, particularly when dynamic structural reordering occurs along multi-step pathways. To bridge this gap, we de...
A multicomponent extension, the Critical Cluster Equivalence Principle, is developed and obtained nucleation rates in excellent agreement with experiments and enhanced sampling simulations, enabling routine application across a wide range of material systems.
Lun-Na Li, Fabienne Bachtiger, A. Finney et al.· Journal of the American Chem...· 1 citation
We extend the KTHNY theory of defect-mediated melting in two dimensions to the case of active solids exhibiting both non-reciprocal (odd) elasticity and Cosserat (micropolar) coupling. For perturbatively small values of non-reciprocity, melting still proceeds via defect unbinding, but the melting temperature shifts due...
Cosmological first-order phase transitions (FOPTs) in the early Universe are an exciting prediction of many beyond the Standard Model scenarios. Owing to the stochastic nature of bubble nucleation, some causal patches may remain trapped in the false vacuum long after the surrounding regions have completed the transitio...
Deciphering the microscopic details of crystal nucleation remains a key open problem in chemical physics. For aqueous sodium chloride (NaCl), the extent to which nucleation involves amorphous ion aggregation, and the supersaturation regime in which two-step-like behavior emerges, remains actively debated. In this work,...
Porhouy Minh, Sapna Sarupria· 0 citations
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