Noether-Constrained Correlations in Equilibrium Liquids
arXiv:2301.11221 · doi:10.1103/PhysRevLett.130.268203
Abstract
Liquid structure carries deep imprints of an inherent thermal invariance against a spatial transformation of the underlying classical many-body Hamiltonian. At first order in the transformation field the Noether theorem yields the local force balance. Three distinct two-body correlation functions emerge at second order, namely the standard two-body density, the localized force-force correlation function, and the localized force gradient. An exact Noether sum rule interrelates these correlators. Simulations of Lennard-Jones, Yukawa, soft-sphere dipolar, Stockmayer, Gay-Berne and Weeks-Chandler-Andersen liquids, of monatomic water and of a colloidal gel former demonstrate their fundamental role in the characterization of spatial structure.
arXiv commentPrevious title was: "What is liquid, from Noether's perspective?"
References in corpus (44)
- Invariant Variation Problems
- Two-step melting in two dimensions: First-order liquid-hexatic transition
- Extending Noether's theorem by quantifying the asymmetry of quantum states
- Mode-Coupling Theory of the Glass Transition: A Primer
- Molecular Density Functional Theory of Water
- A unified description of hydrophilic and superhydrophobic surfaces in terms of the wetting and drying transitions of liquids
- Power functional theory for many-body dynamics
- Primitive Model Electrolytes in the Near and Far Field: Decay Lengths from DFT and Simulations
- Non-adiabatic electron dynamics in time-dependent density-functional theory
- Revealing the three-dimensional structure of liquids using four-point correlation functions
- Use the force! Reduced variance estimators for densities, radial distribution functions and local mobilities in molecular simulations
- Noether's Theorem in Statistical Mechanics
- Better than counting: Density profiles from force sampling
- Modified Poisson-Boltzmann equations and macroscopic forces in inhomogeneous ionic fluids
- Structural Relaxation of a Gel Modeled by Three Body Interactions
- Thermodynamic entropy as a Noether invariant
- On the Formation of Equilibrium Gels via a Macroscopic Bond Limitation
- Density depletion and enhanced fluctuations in water near hydrophobic solutes: identifying the underlying physics
- Why Noether's Theorem applies to Statistical Mechanics
- Direct Observation in 3d of Structural Crossover in Binary Hard Sphere Mixtures
- A Noether Theorem for Markov Processes
- Force Balance Approach for Advanced Approximations in Density Functional Theories
- Displacement field and elastic constants in non-ideal crystals
- Adaptive Brownian Dynamics
- The role of pair correlation function in the dynamical transition predicted by the mode coupling theory
- Force density functional theory in- and out-of-equilibrium
- Computer Simulation Study of the Phase Behavior and Structural Relaxation in a Gel-Former Modeled by Three Body Interactions
- Understanding the physics of hydrophobic solvation
- Triangle-Well and Ramp Interactions in One-Dimensional Fluids: A Fully Analytic Exact Solution
- On the coarse-grained density and compressibility of non-ideal crystals: general theory and an application to cluster crystals
- Noether's second theorem and covariant field theory of mechanical stresses in inhomogeneous ionic liquids
- Many-body correlations are non-negligible in both fragile and strong glassformers
- Force balance in thermal quantum many-body systems from Noether's theorem
- Variance of fluctuations from Noether invariance
- Comparative study of force-based classical density functional theory
- The direct correlation function of a crystalline solid
- Direct Imaging of Contacts and Forces in Colloidal Gels
- Thermodynamical path integral and emergent symmetry
- Configurational temperature in active matter. I. Lines of invariant physics in the phase diagram of the Ornstein-Uhlenbeck model
- Inhomogeneous steady shear dynamics of a three-body colloidal gel former
- An exact formula for the variance of linear statistics in the one-dimensional jellium mode
- Thermodynamic entropy as a Noether invariant in a Langevin equation
- Pair correlation function of the one-dimensional Riesz gas
- A stochastic version of the Noether Theorem
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- Local measures of fluctuations in inhomogeneous liquids: Statistical mechanics and illustrative applications
- Noether invariance theory for the equilibrium force structure of soft matter
- Why gauge invariance applies to statistical mechanics
- Gauge invariance and hyperforce correlation theory for equilibrium fluid mixtures
- Active crystallization from power functional theory
- First part of Clausius heat theorem in terms of Noether's theorem
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