Inherent Structures and Two-Stage Melting in Two Dimensions

Journal Article · Sat Nov 01 04:00:00 EST 1997 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.79.3431· OSTI ID:544983

Somer, Jr, F L; Canright, G S ^[1]; Somer, Jr, F L; Canright, G S; Chen, K; Mostoller, M ^[2]; Kaplan, T ^[3]

---

1. Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996-1200 (United States)
2. Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
3. Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

A large-scale study of the {open_quotes}inherent structures{close_quotes} (IS) associated with equilibrium two-dimensional Lennard-Jones systems is presented. The results validate, for simple 2D fluids, an essential premise of inherent-structures theory: there are consistent, {ital qualitative} differences between the IS associated with distinct equilibrium phases. The hexatic IS show free dislocations plus some nonpercolating grain boundaries. The liquid IS always contain percolating grain boundaries, but no evidence of free disclinations. Our results are consistent with the dislocation-unbinding scenario for the hexatic phase, but leave open the question of the microscopic melting mechanism leading to the isotropic liquid. {copyright} {ital 1997} {ital The American Physical Society}

• Research Organization: Oak Ridge National Laboratory
• DOE Contract Number: AC05-84OR21400
• OSTI ID: 544983
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 18 Vol. 79; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
CONDENSATES
DEFECTS
DISLOCATIONS
GRAIN BOUNDARIES
LENNARD-JONES POTENTIAL
LIQUIDS
SINGULARITY
STRUCTURAL MODELS
TWO-DIMENSIONAL CALCULATIONS