Theory of melting lines.

Our understanding of the three basic states of matter (solids, liquids, and gases) is based on temperature and pressure phase diagrams with three phase transition lines: solid-gas, liquid-gas, and solid-liquid lines. There are analytical expressions P(T) for the first two lines derived on a purely general-theoretical thermodynamic basis. In contrast, there exists no similar function for the third, melting, line (ML). Here, we develop a general two-phase theory of MLs and their analytical form. This theory predicts the parabolic form of the MLs for normal melting, relates the MLs to thermal and elastic properties of liquid and solid phases, and quantitatively agrees with experimental MLs in different system types. We show that the parameters of the ML parabola are governed by fundamental physical constants. In this sense, parabolic MLs possess universality across different systems.

Viscosity and diffusion in life processes and tuning of fundamental constants.

Viewed as one of the grandest questions in modern science, understanding fundamental physical constants has been discussed in high-energy particle physics, astronomy and cosmology. Here, I review how condensed matter and liquid physics gives new insights into fundamental constants and their tuning. This is based on two observations: first, cellular life and the existence of observers depend on viscosity and diffusion. Second, the lower bound on viscosity and upper bound on diffusion are set by fundamental constants, and I briefly review this result and related recent developments in liquid physics. I will subsequently show that bounds on viscosity, diffusion and the newly introduced fundamental velocity gradient in a biochemical machine can all be varied while keeping the fine-structure constant and the proton-to-electron mass ratio intact. This implies that it is possible to produce heavy elements in stars but have a viscous planet where all liquids have very high viscosity (for example that of tar or higher) and where life may not exist. Knowing the range of bio-friendly viscosity and diffusion, we will be able to calculate the range of fundamental constants which favour cellular life and observers and compare this tuning with that discussed in high-energy physics previously. This invites an inter-disciplinary research between condensed matter physics and life sciences, and I formulate several questions that life science can address. I finish with a conjecture of multiple tuning and an evolutionary mechanism.

Fast dynamics and high effective dimensionality of liquid fluidity.

Fluidity, the ability of liquids to flow, is the key property distinguishing liquids from solids. This fluidity is set by the mobile transit atoms moving from one quasi-equilibrium point to the next. The nature of this transit motion is unknown. Here, we show that flow-enabling transits form a dynamically distinct sub-ensemble where atoms move on average faster than the overall system, with a manifestly non-Maxwellian velocity distribution. This is in contrast to solids and gases where no distinction of different ensembles can be made and where the distribution is always Maxwellian. The non-Maxwellian distribution is described by an exponent [Formula: see text] corresponding to high dimensionality of space. This is generally similar to extra synthetic dimensions in topological quantum matter, albeit higher dimensionality in liquids is not integer but is fractional. The dimensionality is close to 4 at melting and exceeds 4 at high temperature. [Formula: see text] has a maximum as a function of temperature and pressure in liquid and supercritical states, returning to its Maxwell value in the solid and gas states.

Microscopic dynamics and Bose-Einstein condensation in liquid helium.

We review fundamental problems involved in liquid theory including both classical and quantum liquids. Understanding classical liquids involves exploring details of their microscopic dynamics and its consequences. Here, we apply the same general idea to quantum liquids. We discuss momentum condensation in liquid helium which is consistent with microscopic dynamics in liquids and high mobility of liquid atoms. We propose that mobile transit atoms accumulate in the finite-energy state where the transit speed is close to the speed of sound. In this state, the transit energy is close to the oscillatory zero-point energy. In momentum space, the accumulation operates on a sphere with the radius set by interatomic spacing and corresponds to zero net momentum. We show that this picture is supported by experiments, including the measured kinetic energy of helium atoms below the superfluid transition and sharp peaks of scattered intensity at predicted energy. We discuss the implications of this picture including the macroscopic wave function and superfluidity.

Universal interrelation between dynamics and thermodynamics and a dynamically driven "c" transition in fluids.

Our very wide survey of the supercritical phase diagram and its key properties reveals a universal interrelation between dynamics and thermodynamics and an unambiguous transition between liquidlike and gaslike states. This is seen in the master plot showing a collapse of the data representing the dependence of specific heat on key dynamical parameters in the system for many different paths on the phase diagram. As a result, the observed transition is path independent. We call it a "c" transition due to the c-shaped curve parametrizing the dependence of the specific heat on key dynamical parameters. The c transition has a fixed inversion point and provides a new structure to the phase diagram, operating deep in the supercritical state (up to, at least, 2000 times the critical pressure and 50 times the critical temperature). The data collapse and path independence as well as the existence of a special inversion point on the phase diagram are indicative of either of a sharp crossover or a new phase transition in the deeply supercritical state.

Slow stretched-exponential and fast compressed-exponential relaxation from local event dynamics.

We propose an atomistic model for correlated particle dynamics in liquids and glasses predicting both slow stretched-exponential relaxation (SER) and fast compressed-exponential relaxation (CER). The model is based on the key concept of elastically interacting local relaxation events. SER is related to slowing down of dynamics of local relaxation events as a result of this interaction, whereas CER is related to the avalanche-like dynamics in the low-temperature glass state. The model predicts temperature dependence of SER and CER seen experimentally and recovers the simple, Debye, exponential decay at high temperature. Finally, we reproduce SER to CER crossover across the glass transition recently observed in metallic glasses.

Speed of sound from fundamental physical constants.

Two dimensionless fundamental physical constants, the fine structure constant α and the proton-to-electron mass ratio [Formula: see text], are attributed a particular importance from the point of view of nuclear synthesis, formation of heavy elements, planets, and life-supporting structures. Here, we show that a combination of these two constants results in a new dimensionless constant that provides the upper bound for the speed of sound in condensed phases, vu We find that [Formula: see text], where c is the speed of light in vacuum. We support this result by a large set of experimental data and first-principles computations for atomic hydrogen. Our result expands the current understanding of how fundamental constants can impose new bounds on important physical properties.

Evolution of amorphous structure under irradiation: zircon case study.

The nature of the amorphous state has been notably difficult to ascertain at the microscopic level. In addition to the fundamental importance of understanding the amorphous state, potential changes to amorphous structures as a result of radiation damage have direct implications for the pressing problem of nuclear waste encapsulation. Here, we develop new methods to identify and quantify the damage produced by high-energy collision cascades that are applicable to amorphous structures and perform large-scale molecular dynamics simulations of high-energy collision cascades in a model zircon system. We find that, whereas the averaged probes of order such as pair distribution function do not indicate structural changes, local coordination analysis shows that the amorphous structure substantially evolves due to radiation damage. Our analysis shows a correlation between the local structural changes and enthalpy. Important implications for the long-term storage of nuclear waste follow from our detection of significant local density inhomogeneities. Although we do not reach the point of convergence where the changes of the amorphous structure saturate, our results imply that the nature of this new converged amorphous state will be of substantial interest in future experimental and modeling work.

Minimal quantum viscosity from fundamental physical constants.

Viscosity of fluids is strongly system dependent, varies across many orders of magnitude, and depends on molecular interactions and structure in a complex way not amenable to first-principles theories. Despite the variations and theoretical difficulties, we find a new quantity setting the minimal kinematic viscosity of fluids: ν m = 1 4 π ℏ m e m , where me and m are electron and molecule masses. We subsequently introduce a new property, the "elementary" viscosity ι with the lower bound set by fundamental physical constants and notably involving the proton-to-electron mass ratio: ι m = ℏ 4 π ( m p m e ) 1 2 , where mp is the proton mass. We discuss the connection of our result to the bound found by Kovtun, Son, and Starinets in strongly interacting field theories.

Pronounced structural crossover in water at supercritical pressures.

There have been ample studies of the many phases of H2O in both its solid and low pressure liquid states, and the transitions between them. Using molecular dynamics simulations we address the hitherto unexplored deeply supercritical pressures, where no qualitative transitions are thought to take place and where all properties are expected to vary smoothly. On the basis of these simulations we predict that water at supercritical pressures undergoes a structural crossover across the Frenkel line at pressures as high as 45 times the critical pressure. This provides a new insight into the water phase diagram and establishes a link between the structural and dynamical properties of supercritical water. Specifically, the crossover is demonstrated by a sharp and pronounced at low pressures, and smooth at high pressures, signified by changes in the pair distribution functions and local coordination which coincide with the dynamical transition (the loss of all oscillatory molecular motion) at the Frenkel line on the phase diagram.

Quantum dissipation in a scalar field theory with gapped momentum states.

Understanding quantum dissipation is important from both theoretical perspective and applications. Here, we show how to describe dissipation in a scalar field theory. We treat dissipation non-perturbatively, represent it by a bilinear term in the Lagrangian and quantize the theory. We find that dissipation promotes a gap in momentum space and reduces the particle energy. As a result, particle mass becomes dressed by dissipation due to self-interaction. The underlying mechanism is similar to that governing the propagation of transverse collective modes in liquids. We discuss the interplay between the dissipative and mass terms, the associated different regimes of field dynamics and the emergence of ultraviolet and infrared cutoffs due to dissipation.

Reply to "Comment on 'Lagrangian formulation and symmetrical description of liquid dynamics' ".

We make three remarks in reply to the comment by Bryk, Duviryak, and Mryglod (BDM) [Bryk, Duviryak, and Mryglod, Phys. Rev. E 99, 036102 (2019)10.1103/PhysRevE.99.036102]: (a) the discussion of shear liquid dynamics cannot be incorrect for the reason that this discussion does not include other effects such as longitudinal fluctuations; (b) the same point of relaxation time has been already discussed and published by Bryk et al. in their earlier comment [Bryk, Mryglod, Ruocco, and Scopigno, Phys. Rev. Lett. 120, 219601 (2018)PRLTAO0031-900710.1103/PhysRevLett.120.219601] and in our related reply [Yang, Dove, Brazhkin, and Trachenko, Phys. Rev. Lett. 120, 219602 (2018)PRLTAO0031-900710.1103/PhysRevLett.120.219602]; and (c) the field transformation for the complex scalar field theory used by BDM is incorrect.

Thermodynamic heterogeneity and crossover in the supercritical state of matter.

A hallmark of a thermodynamic phase transition is the qualitative change of system thermodynamic properties such as energy and heat capacity. On the other hand, no phase transition is thought to operate in the supercritical state of matter and, for this reason, it was believed that supercritical thermodynamic properties vary smoothly and without any qualitative changes. Here, we perform extensive molecular dynamics simulations in a wide temperature range and find that a deeply supercritical state is thermodynamically heterogeneous, as witnessed by different temperature dependence of energy, heat capacity and its derivatives at low and high temperature. The evidence comes from three different methods of analysis, two of which are model-independent. We propose a new definition of the relative width of the thermodynamic crossover and calculate it to be in the fairly narrow relative range of 13%-20%. On the basis of our results, we relate the crossover to the supercritical Frenkel line.

The nature of collective excitations and their crossover at extreme supercritical conditions.

Physical properties of an interacting system are governed by collective excitations, but their nature at extreme supercritical conditions is unknown. Here, we present direct evidence for propagating solid-like longitudinal phonon-like excitations with wavelengths extending to interatomic separations deep in the supercritical state at temperatures up to 3,300 times the critical temperature. We observe that the crossover of dispersion curves develops at k points reducing with temperature. We interpret this effect as the crossover from the collective phonon to the collisional mean-free path regime of particle dynamics and find that the crossover points are close to both the inverse of the shortest available wavelength in the system and to the particle mean free path inferred from experiments and theory. Notably, both the shortest wavelength and mean free path scale with temperature with the same power law, lending further support to our findings.

Dynamics, thermodynamics and structure of liquids and supercritical fluids: crossover at the Frenkel line.

We review recent work aimed at understanding dynamical and thermodynamic properties of liquids and supercritical fluids. The focus of our discussion is on solid-like transverse collective modes, whose evolution in the supercritical fluids enables one to discuss the main properties of the Frenkel line separating rigid liquid-like and non-rigid gas-like supercritical states. We subsequently present recent experimental evidence of the Frenkel line showing that structural and dynamical crossovers are seen at a pressure and temperature corresponding to the line as predicted by theory and modelling. Finally, we link dynamical and thermodynamic properties of liquids and supercritical fluids by the new calculation of liquid energy governed by the evolution of solid-like transverse modes. The disappearance of those modes at high temperature results in the observed decrease of heat capacity.

Emergence and Evolution of the k Gap in Spectra of Liquid and Supercritical States.

Fundamental understanding of strongly interacting systems necessarily involves collective modes, but their nature and evolution is not generally understood in dynamically disordered and strongly interacting systems such as liquids and supercritical fluids. We report the results of extensive molecular dynamics simulations and provide direct evidence that liquids develop a gap in a solidlike transverse spectrum in the reciprocal space, with no propagating modes between zero and a threshold value. In addition to the liquid state, this result importantly applies to the supercritical state of matter. We show that the emerging gap increases with the inverse of liquid relaxation time and discuss how the gap affects properties of liquid and supercritical states.

Direct links between dynamical, thermodynamic, and structural properties of liquids: Modeling results.

We develop an approach to liquid thermodynamics based on collective modes. We perform extensive molecular-dynamics simulations of noble, molecular, and metallic liquids, and we provide direct evidence that liquid energy and specific heat are well-described by the temperature dependence of the Frenkel (hopping) frequency. The agreement between predicted and calculated thermodynamic properties is seen in the notably wide range of temperature spanning tens of thousands of Kelvin. The range includes both subcritical liquids and supercritical fluids. We discuss the structural crossover and interrelationships between the structure, dynamics, and thermodynamics of liquids and supercritical fluids.

Supercritical Grüneisen parameter and its universality at the Frenkel line.

We study the thermomechanical properties of matter under extreme conditions deep in the supercritical state, at temperatures exceeding the critical one by up to four orders of magnitude. We calculate the Grüneisen parameter γ and find that on isochores it decreases with temperature from 3 to 1, depending on the density. Our results indicate that from the perspective of thermomechanical properties, the supercritical state is characterized by a wide range of γ's which includes solidlike values-an interesting finding in view of the common perception of the supercritical state as being an intermediate state between gases and liquids. We rationalize this result by considering the relative weights of oscillatory and diffusive components of the supercritical system below the Frenkel line. We also find that γ is nearly constant at the Frenkel line above the critical point and explain this universality in terms of the pressure and temperature scaling of system properties along the lines where particle dynamics changes qualitatively.