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The ensemble Stokes' shift gives the average single-molecule linewidth for quantum-confined nanomaterials.
In this work, we review the equation of state of QCD matter at finite densities. We discuss the construction of the equation of state with net baryon number, electric charge, and strangeness using the results of lattice QCD simulations and hadron resonance gas models. Its application to the hydrodynamic analyses of relativistic nuclear collisions suggests that the interplay of multiple conserved charges is important in the quantitative understanding of the dense nuclear matter created at lower beam energies. Several different models of the QCD equation of state are discussed for comparison.
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A finite-temperature many-body perturbation theory is presented, which expands in power series the electronic grand potential, chemical potential, internal energy, and entropy on an equal footing. Sum-over-states and sum-over-orbitals analytical formulas for the second-order perturbation corrections to these thermodynamic properties are obtained in a time-independent, nondiagrammatic, algebraic derivation, relying on the sum rules of the Hirschfelder–Certain degenerate perturbation energies in a degenerate subspace as well as nine algebraic identities for the zeroth-order thermal averages of one- through four-indexed quantities and products thereof. Lastly, they reproduce numerically exactly the benchmark data obtained as the numerical derivatives of the thermal-full-configuration-interaction results for a wide range of temperatures.
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the Rayleigh–Schrödinger perturbation theory are derived for the grand potential, chemical potential, internal energy, and entropy in the grand canonical ensemble and for the Helmholtz energy, internal energy, and entropy in the canonical ensemble, leading to their sum-over-states analytical formulas at any arbitrary order. For the grand canonical ensemble, these sum-over-states formulas are systematically transformed to sum-over-orbitals reduced analytical formulas by the quantum-field-theoretical techniques of normal-ordered second quantization and Feynman diagrams extended to finite temperature. It is found that the perturbation corrections to energies entering the recursions have to be treated as a nondiagonal matrix, whose off-diagonal elements are generally nonzero within a subspace spanned by degenerate Slater determinants. They give rise to a unique set of linked diagrams—renormalization diagrams—whose resolvent lines are displaced upward, which are distinct from the well-known anomalous diagrams of which one or more resolvent lines are erased. A linked-diagram theorem is introduced that proves the size-consistency of the finite-temperature many-body perturbation theory at any order. General-order algorithms implementing the recursions establish the convergence of the perturbation series toward the finite-temperature full-configuration-interaction limit unless the series diverges. As a result, the normal-ordered Hamiltonian at finite temperature sheds light on the relationship between the finite-temperature Hartree–Fock and first-order many-body perturbation theories.
Chemicals involved in plutonium uranium reduction extraction (PUREX) can be released from nuclear reprocessing facilities and accumulate in the environment. We exposed chemically diverse soils to a range of concentrations of key chemicals used in the PUREX process. The responses of soil microbial communities are dependent on soil type, and tributyl phosphate exposure generates the most reproducible changes in microbial communities. We reconstructed the genomes of key bacteria and find several phosphotriesterase genes found only in Rhizobiaceae. The abundance of phosphotriesterase genes is significantly higher in samples exposed to tributyl phosphate. In conclusion, these phosphotriesterase genes may be involved in breakdown of tributyl phosphate, and a means of accessing phosphate for these bacteria.
Here we present a theoretical framework for high fidelity modeling of three-dimensional electro-chemo-thermo-mechanical coupled systems such as solid-state batteries. The framework provides a useful means of utilizing molecular level information to predict the overall performance of the system at the continuum level. The central statement of the theoretical framework is a thermodynamically consistent inf-sup problem. The total potential of the coupled system consists of the Helmholtz free energy, the electrical kinetic potential, the chemical potential, the Fourier potential, the chemical reaction potential, and the external power expenditure. All governing equations derive from variational principles. We also show that the resulting initial-boundary-value problem (IBVP) is consistent with existing, widely adopted equations for modeling batteries. Moreover, the IBVP can be naturally discretized using the (variational) finite element method to simulate practical solid-state batteries with arbitrary geometries. Several examples illustrate multiphysics coupling between pairs of the physical field equations, culminating in a comprehensive three-dimensional model of charge-discharge in a solid state battery.
This report describes a tool for three dimensional, high fidelity, coupled electro-chemo-thermo-mechanical modeling of solid-state batteries. A complete version of the tool is available as open source software at https://github.com/hugary1995/eel.git. The theoretical framework of the tool revolves around an inf-sup statement on a total potential, comprising the Helmholtz free energy, the electrical kinetic potential, the chemical potential, the Fourier potential, the chemical reaction potential, and the external power expenditure. The tool uses the finite element framework of Multiphysics Object-Oriented Simulation Environment (MOOSE) and a variational formulation to solve the boundary value problem for solid-state battery incorporating the full set of multiphysics couplings. The variational formulation also enables a modular software architecture for the tool so additional physics can be easily included by specifying the new contribution to the total potential. The report discusses several method of manufactured solutions that were used to verify the implementation of different physics and the Butler-Volmer reaction kinetics at the electrolyte-electrode interface. Finally, the report discusses results from complete charge/discharge simulations of a quasi-1D and a 3D solid-state battery.
Here, we study a chain of alternating hot and cold electronic nanocavities—connected to one another via resonant-tunneling quantum dots—with the intent of achieving precise thermal control across the chain. This is accomplished by positioning the dots' energy levels such that a predetermined distribution of heat currents is realized across the chain in the steady state. The number of electrons in each cavity is conserved in the steady state which constrains the cavities' chemical potentials. We determine these chemical potentials analytically in the linear response regime where the energy differences between the dots' resonant levels and the neighboring chemical potentials are much smaller than the thermal energy. In this regime, the thermal control problem can be solved exactly, while, in the general case, thermal control can only be achieved in a relative sense, that is, when one only preassigns the ratios between different heat currents. We apply our results to two different cases: We first demonstrate that a “heat switch” can be easily realized with three coupled cavities, and then we show that our linear response results can provide accurate results in situations with a large number of cavities.
In this article, we explore a feedback-control protocol in different quantum field theories (QFTs) to study the quantum correlation in nonunitary evolution of quantum systems. Traditional studies on QFTs focus on quantum entanglement of pure states under the unitary evolution, however, we examine quantum correlation in mixed states using quantum energy teleportation (QET), which is an energy transfer protocol by utilizing ground state entanglement, and introduce quantum discord as a measure. QET involves a midcircuit measurement, which disrupts pure state entanglement. Despite this, our analysis demonstrates that quantum discord maintains the correlation throughout the QET process. We conducted numerical analyses with benchmark models including the Nambu-Jona-Lasinio (NJL) model, revealing that quantum discord consistently acts as an order parameter for phase transitions. The model is extended in a way that it has both the chiral chemical potential and the chemical potential, which are useful to study the phase structures mimicking the chiral imbalance between left- and right- quarks coupled to the chirality density operator. In all cases we studied, the quantum discord behaved as an order parameter of the phase transition. Published by the American Physical Society 2024
Understanding the behavior of dense hadronic matter is a central goal in nuclear physics as it governs the nature and dynamics of astrophysical objects such as supernovae and neutron stars. Because of the nonperturbative nature of quantum chromodynamics (QCD), little is known rigorously about hadronic matter in these extreme conditions. Here, lattice QCD calculations are used to compute thermodynamic quantities and the equation of state of QCD over a wide range of isospin chemical potentials with controlled systematic uncertainties. Agreement is seen with chiral perturbation theory when the chemical potential is small. Comparison to perturbative QCD at large chemical potential allows for an estimate of the gap in the superconducting phase, and this quantity is seen to agree with perturbative determinations. Since the partition function for an isospin chemical potential μ I bounds the partition function for a baryon chemical potential μ B = 3 μ I / 2 , these calculations also provide rigorous nonperturbative QCD bounds on the symmetric nuclear matter equation of state over a wide range of baryon densities for the first time. Published by the American Physical Society 2025
Initial states of dense matter with nonzero electron chiral imbalance could potentially give rise to strong magnetic fields through chiral plasma instability. Previous work indicated that unless chiral chemical potential is as large as the electron vector chemical potential, the growth of magnetic fields due to the instability is washed out by chirality flipping rate enabled by electron mass. We reexamine this claim in a broader range of parameters and find that at higher temperatures the hierarchy is reversed supporting a growing magnetic field for an initial electron chiral chemical potential much smaller than the electron vector chemical potential. Further, we identify a qualitatively new effect relevant for magnetized hot and dense medium where chiral magnetic effect (CME) sourced by density fluctuation acts as a powerful source of Joule heating. Remarkably, even modest chiral chemical potentials (keV) in such environment can deposit energy densities set by the QCD scale in a relatively short time of the order of a few milliseconds or seconds. We speculate how this mechanism makes CME-driven Joule heating a potentially critical ingredient in the dynamics of turbulent density fluctuation of supernovae and neutron star mergers.
The Microgravity Transport Phenomena Experiment (MTPE) is a fluids experiment supported by the Fundamentals in Biotechnology program in association with the Human Exploration and Development of Space (BEDS) initiative. The MTP Experiment will investigate fluid transport phenomena both in ground based experiments and in the microgravity environment. Many fluid transport processes are affected by gravity. Osmotic flux kinetics in planar membrane systems have been shown to be influenced by gravimetric orientation, either through convective mixing caused by unstably stratified fluid layers, or through a stable fluid boundary layer structure that forms in association with the membrane. Coupled transport phenomena also show gravity related effects. Coefficients associated with coupled transport processes are defined in terms of a steady state condition. Buoyancy (gravity) driven convection interferes with the attainment of steady state, and the measurement of coupled processes. The MTP Experiment measures the kinetics of molecular migration that occurs in fluids, in response to the application of various driving potentials. Three separate driving potentials may be applied to the MTP Experiment fluids, either singly or in combination. The driving potentials include chemical potential, thermal potential, and electrical potential. Two separate fluid arrangements are used to study membrane mediated and bulk fluid transport phenomena. Transport processes of interest in membrane mediated systems include diffusion, osmosis, and streaming potential. Bulk fluid processes of interest include coupled phenomena such as the Soret Effect, Dufour Effect, Donnan Effect, and thermal diffusion potential. MTP Experiments are performed in the Microgravity Transport Apparatus (MTA), an instrument that has been developed specifically for precision measurement of transport processes. Experiment fluids are contained within the MTA fluid cells, designed to create a one dimensional flow geometry of constant cross sectional area, and to facilitate fluid filling and draining operations in microgravity. The fluid cells may be used singly for bulk solutions, or in a Stokes diaphragm configuration to investigate membrane mediated phenomena. Thermal and electrical driving potentials are applied to the experiment fluids through boundary plates located at the ends of the fluid cells. In the ground based instrument, two constant temperature baths circulate through reservoirs adjacent to the boundary plates, and establish the thermal environment within the fluid cells. The boundary plates also serve as electrodes for measurement and application of electrical potentials. The Fluid Manipulation System associated with the MTA is a computer controlled system that enables storage and transfer of experiment fluids during on orbit operations. The system is used to automatically initiate experiments and manipulate fluids by orchestrating pump and valve operations through scripted sequences. Unique technologies are incorporated in the MTA for measurement of fluid properties. Volumetric Flow Sensors have been developed for precision measurement of total fluid volume contained within the fluid cells over time. This data is most useful for measuring the kinetics of osmosis, where fluid is transported from one fluid cell to another through a semipermeable membrane. The MicroSensor Array has been designed to perform in situ measurement of several important fluid parameters, providing simultaneous measurement of solution composition at multiple locations within the experiment fluids. Micromachined sensors and interface electronics have been developed to measure temperature, electrical conductivity, pH, cation activity, and anion activity. The Profile Refractometer uses a laser optical system to directly image the fluid Index of Refraction profile that exists along the MTA fluid cell axis. A video system acquires images of the RI profile over time, and records the transport kinetics that occur upon application of chemical, thermal, or electrical driving potentials. Image processing algorithms have been developed to analyze the refractometer images on a pixel by pixel basis, calibrating and scaling the measured Index of Refraction profile to correlated solution properties of interest such as density, concentration, and temperature. Additional software has been developed to compile the processed images into a three dimensional matrix that contains fluid composition data as a function of experiment time and position in the fluid cell. These data are combined with data from the other sensor systems, and analyzed in the context of transport coefficients associated with the various transport phenomena. Analysis protocols have been developed to measure the transient kinetics, and steady state distribution of fluid components that occur in response to the applied driving potentials. The results are expressed in terms of effective transport coefficients. Experiments have been performed using a variety of solutes, and results generated are that are in agreement with published transport coefficient values.
Abstract Frequency generation in highly multimode nonlinear optical systems is inherently a complex process, giving rise to an exceedingly convoluted landscape of evolution dynamics. While predicting and controlling the global conversion efficiencies in such nonlinear environments has long been considered impossible, here, we formally address this challenge even in scenarios involving a very large number of spatial modes. By utilizing fundamental notions from optical statistical mechanics, we develop a universal theoretical framework that effectively treats all frequency components as chemical reactants/products, capable of undergoing optical thermodynamic reactions facilitated by a variety of multi-wave mixing effects. These photon–photon reactions are governed by conservation laws that directly determine the optical temperatures and chemical potentials of the ensued chemical equilibria for each frequency species. In this context, we develop a comprehensive stoichiometric model and formally derive an expression that relates the chemical potentials to the optical stoichiometric coefficients, in a manner akin to atomic/molecular chemical reactions. This advancement unlocks new predictive capabilities that can facilitate the optimization of frequency generation in highly multimode photonic arrangements, surpassing the limitations of conventional schemes that rely exclusively on nonlinear optical dynamics. Notably, we identify a universal regime of Rayleigh–Jeans thermalization where an optical reaction at near-zero optical temperatures can promote the complete and entropically irreversible conversion of light to the fundamental mode at a target frequency. Our theoretical results are corroborated by numerical simulations in settings where second-harmonic generation, sum-frequency generation and four-wave mixing processes can manifest.
Charge distribution offers a unique fingerprint of important properties of electronic systems, including dielectric response, charge ordering, and charge fractionalization. Here, we develop an architecture for charge sensing in two-dimensional electronic systems in a strong magnetic field. We probe local change of the chemical potential in a proximitized detector layer using scanning tunneling microscopy, allowing us to infer the chemical potential and the charge profile in the sample. Our technique has both high energy (<0.3 meV) and spatial (<10 nm) resolution exceeding that of previous studies by an order of magnitude. We apply our technique to study the chemical potential of quantum Hall liquids in monolayer graphene under high magnetic fields and their responses to charge impurities. The chemical potential measurement provides a local probe of the thermodynamic gap of quantum Hall ferromagnets and fractional quantum Hall states. The screening charge profile reveals spatially oscillatory response of the quantum Hall liquids to charge impurities and is consistent with the composite Fermi liquid picture close to the half-filling. Our technique also paves the way to map moiré potentials, probe Wigner crystals, and investigate fractional charges in quantum Hall and Chern insulators.
In this work, we construct the QCD equation of state at finite chemical potentials including net baryon, electric charge, and strangeness based on the results of lattice QCD simulations and the hadron resonance gas model. The situation of strangeness neutrality and a fixed charge-to-baryon ratio, which resembles that of heavy nuclei, is considered for the application to relativistic heavy-ion collisions. This increases the values of baryon chemical potential compared to the case of vanishing strangeness and electric charge chemical potentials, modifying the fireball trajectory in the phase diagram. We perform viscous hydrodynamic simulations and demonstrate the importance of multiple chemical potentials for identified particle production in heavy-ion collisions at the RHIC and SPS beam energy scan energies.
We analyze the dependence of the chiral phase transition temperature on baryon number and strangeness chemical potentials by calculating the leading order curvature coefficients in the light and strange quark flavor basis as well as in the conserved charge ( B , S ) basis. Making use of scaling properties of the magnetic equation of state (MEoS) and including diagonal as well as off-diagonal contributions in the expansion of the energylike scaling variable that enters the parametrization of the MEoS, allows to explore the variation of T c ( μ B , μ S ) = T c ( 1 − ( κ 2 B μ ^ B 2 + κ 2 S μ ^ S 2 + 2 κ 11 B S μ ^ B μ ^ S ) ) along different lines in the ( μ B , μ S ) plane. On lattices with fixed cutoff in units of temperature, a T = 1 / 8 , we find κ 2 B = 0.015 ( 1 ) , κ 2 S = 0.0124 ( 5 ) and κ 11 B S = − 0.0050 ( 7 ) . We show that the chemical potential dependence along the line of vanishing strangeness chemical potential is about 10% larger than along the strangeness neutral line. The latter differs only by about 3% from the curvature on a line of vanishing strange quark chemical potential, μ s = 0 . We also show that close to the chiral limit the strange quark mass contributes like an energylike variable in scaling relations for pseudocritical temperatures. The chiral phase transition temperature decreases with decreasing strange quark mass, T c ( m s ) = T c ( m s phy ) ( 1 − 0.097 ( 2 ) ( m s − m s phys ) / m s phy + O ( ( Δ m s ) 2 ) . Published by the American Physical Society 2024
Metal-organic frameworks (MOFs) have been used to sequester radionuclides and seal them inside of porous scaffolds using postsynthetic modification procedures. Experiments show that certain Zr-MOF with different capping linkers significantly affects the radionuclide release kinetics. In this work, we developed a leaching model of radionuclides in Zr-MOF particles. The model assumes that uranyl species occupy two energetically favored sites: the metal node and the MOF pores. For a given overall concentration of uranyl species, the partitions of uranyl species at the metal nodes and within the pores are determined by their chemical potentials. The model also considers the effect of particle surface and concentration on chemical potentials and diffusivity. The effects of spatial and structural dependent chemical potentials and diffusivity as well as particle sizes on leaching kinetics are investigated with the model. Predicted and measured uranyl leaching kinetics in Zr-MOF particles under batch experiments are compared. The results demonstrate the model’s capability for exploring the mechanisms of leaching and provide guidance for material design.