Linking far-from-equilibrium defect structures in ceramics to electromagnetic driving forces
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99 GENERAL AND MISCELLANEOUS↗
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Standardized excitable elements for scalable engineering of far-from-equilibrium chemical networks
Engineered far-from-equilibrium synthetic chemical networks that pulse or switch states in response to environmental signals could precisely regulate the kinetics of chemical synthesis or self-assembly. Currently, such networks must be extensively tuned to compensate for the different activities of and unintended reactions between a network’s various chemical components. Modular elements with standardized performance could be used to rapidly construct networks with designed functions. Here we develop standardized excitable chemical regulatory elements, termed genelets, and use them to construct complex in vitro transcriptional networks. We develop a protocol for identifying >15 interchangeable genelet elements with uniform performance and minimal crosstalk. Furthermore, these elements can be combined to engineer feedforward and feedback modules whose dynamics match those predicted by a simple kinetic model. Modules can then be rationally integrated and organized into networks that produce tunable temporal pulses and act as multistate switchable memories. Standardized genelet elements, and the workflow to identify more, should make engineering complex far-from-equilibrium chemical dynamics routine.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Far-from-equilibrium search for the QCD critical point
Initial conditions for relativistic heavy-ion collisions may be far from equilibrium (i.e., there are large initial contributions from the shear stress tensor and bulk pressure) but it is expected that on very short time scales the dynamics converge to a universal attractor that defines hydrodynamic behavior. Thus far, studies of this nature have only considered an idealized situation at LHC energies (high temperatures T and vanishing baryon chemical potential µ B = 0) but, in this work, we investigate for the first time how far-from-equilibrium effects may influence experimentally driven searches for the Quantum Chromodynamic critical point at RHIC. We find that the path to the critical point is heavily influenced by far from equilibrium initial conditions where viscous effects lead to dramatically different {T, µ B } trajectories through the QCD phase diagram. We compare hydrodynamic equations of motion with shear and bulk coupled together at finite µB for both DNMR and phenomenological Israel-Stewart equations of motion and discuss their influence on potential attractors at finite µ B and their corresponding {T, µ B } trajectories.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Hydrodynamization times of a holographic fluid far from equilibrium
Here we investigate several hydrodynamization times for an ensemble of different far-from-equilibrium solutions of the strongly coupled $\mathscr{N}$ = 4 supersymmetric Yang-Mills plasma undergoing Bjorken flow. For the ensemble of initial data analyzed in the present work, we find that, with typical tolerances between 3% to 5%, the average hydrodynamization time associated with the late time convergence of the pressure anisotropy to the corresponding Borel resummed hydrodynamic attractor is approximately equal to the average hydrodynamization time associated with the Navier-Stokes result, while both are shorter than the average hydrodynamization time associated with second-order hydrodynamics. On the other hand, we find that the entropy density of the different solutions coalesces to second-order hydrodynamics long before entering in the Navier-Stokes regime. A clear hierarchy between the different average hydrodynamization times of the Bjorken expanding fluid is established for the set of analyzed initial data, comprising also some solutions which, whilst satisfying the dominant and the weak energy conditions at the initial time, evolve such as to transiently violate one or both conditions when the fluid is still far from equilibrium. In particular, solutions violating the weak energy condition are generally found to take a longer time to enter in the hydrodynamic regime than the other solutions.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Far-from-equilibrium slow modes and momentum anisotropy in expanding plasma
The momentum distribution of particle production in heavy-ion collisions encodes information about thermalization processes in the early-stage quark-gluon plasma. We use kinetic theory to study the far-from-equilibrium evolution of an expanding plasma with an anisotropic momentumspace distribution. We identify slow and fast degrees of freedom in the far-from-equilibrium plasma from the evolution of moments of this distribution. At late times, the slow modes correspond to hydrodynamic degrees of freedom and are naturally gapped from the fast modes by the inverse of the relaxation time, $τ$$^{–1}_{R}$. At early times, however, there are an infinite number of slow modes with a gap inversely proportional to time, τ –1 . From the evolution of the slow modes we generalize the paradigm of the far-from-equilibrium attractor to vector and tensor components of the energy momentum tensor, and even to higher moments of the distribution function that are not part of the hydrodynamic evolution. We predict that initial-state momentum anisotropy decays slowly in the far-from-equilibrium phase and may persist until the relaxation time.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Far-from-equilibrium slow modes and momentum anisotropy in an expanding plasma
The momentum distribution of particle production in heavy-ion collisions encodes information about thermalization processes in the early-stage quark-gluon plasma. We use kinetic theory to study the far-from-equilibrium evolution of an expanding plasma with an anisotropic momentum-space distribution. We identify slow and fast degrees of freedom in the far-from-equilibrium plasma from the evolution of moments of this distribution. At late times, the slow modes correspond to hydrodynamic degrees of freedom and are naturally gapped from the fast modes by the inverse of the relaxation time, τ R − 1 . At early times, however, there are an infinite number of slow modes with a gap inversely proportional to time, τ − 1 . From the evolution of the slow modes we generalize the paradigm of the far-from-equilibrium attractor to vector and tensor components of the energy-momentum tensor, and even to higher moments of the distribution function that are not part of the hydrodynamic evolution. We predict that initial-state momentum anisotropy decays slowly in the far-from-equilibrium phase and may persist until the relaxation time. Published by the American Physical Society 2024
Brewer, Jasmine (ORCID:0000000230840663)↗
Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics
Ferroelectric materials exhibit a rich range of complex polar topologies, but their study under far-from-equilibrium optical excitation has been largely unexplored because of the difficulty in modeling the multiple spatiotemporal scales involved quantum-mechanically. To study optical excitation at spatiotemporal scales where these topologies emerge, we have performed multiscale excited-state neural network quantum molecular dynamics simulations that integrate quantum-mechanical description of electronic excitation and billion-atom machine learning molecular dynamics to describe ultrafast polarization control in an archetypal ferroelectric oxide, lead titanate. Far-from-equilibrium quantum simulations reveal a marked photo-induced change in the electronic energy landscape and resulting cross-over from ferroelectric to octahedral tilting topological dynamics within picoseconds. The coupling and frustration of these dynamics, in turn, create topological defects in the form of polar strings. The demonstrated nexus of multiscale quantum simulation and machine learning will boost not only the emerging field of ferroelectric topotronics but also broader optoelectronic applications.
36 MATERIALS SCIENCE↗
Relaxation from Steady States Far from Equilibrium and the Persistence of Anomalous Shock Behavior in Weakly Ionized Gases
The decay of anomalous effects on shock waves in weakly ionized gases following plasma generator extinction has been measured in the anticipation that the decay time must correlate well with the relaxation time of the mechanism responsible for the anomalous effects. When the relaxation times cannot be measured directly, they are inferred theoretically, usually assuming that the initial state is nearly in thermal equilibrium. In this paper, it is demonstrated that relaxation from any steady state far from equilibrium, including the state of a weakly ionized gas, can proceed much more slowly than arguments based on relaxation from near equilibrium states might suggest. This result justifies a more careful analysis of the relaxation times in weakly ionized gases and suggests that although the experimental measurements of relaxation times did not lead to an unambiguous conclusion, this approach to understanding the anomalous effects may warrant further investigation.
Rubinstein, Robert↗
Early-Stage Shear Viscosity far from Equilibrium via Holography
We report shear viscosity is a crucial property of QCD matter which determines the collective behavior of the the quark-gluon plasma (QGP) in ultrarelativistic heavy-ion collisions. Extending the near-equilibrium, high-precision investigations in theory and experiment, we take into account the fact that, in a collision, the QGP is generated far from equilibrium. We use the AdS/CFT correspondence to study a strongly coupled plasma and find a significant impact on the ratio of shear viscosity to entropy density, η/s. In particular, we investigate the initial heating phase and find a decrease reaching down to below 60% followed by an overshoot to 110% of the near-equilibrium value. This finding might be highly relevant for the extraction of transport coefficients from anisotropic flow measurements at RHIC and LHC.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
SISGR: Chemomechanics of Far-From-Equilibrium Interfaces (COFFEI)
Portable, reliable, and deployable devices for energy storage and conversion require fundamental changes in design of solid-state composites comprising ceramics and metals. These materials comprise the electrodes and electrolytes of next-generation solid-oxide fuel cells and all solid-state batteries, forming solid-state functional composites. The advent of solid-state batteries – which replace liquid electrolytes with solid electrolytes capable of lithium ion transport for reliable energy storage in portable batteries – and the increased demand space for all solid-state fuel cells capable of oxygen reduction at intermediate temperatures remain important challenges for improved material stability and decreased system cost. However, little is understood about three fundamental facets of materials that enable such solid-state energy applications. First, how do such materials deform, fracture, or delaminate under operando conditions? Second, how does such mechanical deformation limit or facilitate electronic and ionic transport within and across such material interfaces? Third, how we can predictably design interface-rich composites to engineer both structural and electrochemical stability? This COFFEI Group comprised expertise from Materials Science & Engineering and Nuclear Science & Engineering to integrate unique in situ experiments, simulations, and fabricated interfaces that address these fundamental questions in solid-state interfaces of nanoscale composites that will guide solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric materials that enable such applications. In particular, we built on COFFEI’s understanding of chemomechanical coupling among defect concentrations, ionic transport, electron transport, and stored elastic energy that is particularly acute in the far-from-equilibrium conditions typical of energy device applications. By tailoring our focus to solid-state interfaces, we addressed these important issues by (a) developing and applying advanced in situ and ex situ characterization tools to characterize model materials and interfaces synthesized with molecular-level control, under both laboratory-controlled and extreme environments representative of energy device operation; and (b) employing computational modeling and simulation frameworks to predict transport mechanisms, reactivity and stability of these model materials and interfaces under significant chemical strains typical of energy device operation. Recent progress provided insights to additional materials systems and electrochemomechanical fatigue and fracture that were not fully envisioned when the program was initiated. Specifically, in the final three years of COFFEI we pursued two integrated thrusts, with complementary focus. Thrust I focused on failure-resistant electrochemomechanical composites, while Thrust II focused on strain-modulated conductivity and reactivity across interfaces. In contrast to our initial COFFEI focus, these thrusts concentrated wholly on solid-state material interfacial interactions and included greater integration of multiscale visualization including in situ electron microscopy of strained structures/interactions and mesoscale simulations. Successful development of functionally superior and long-lived battery and fuel cell systems and stress adaptable oxides requires a deeper, fundamental understanding of the coupling among the historically important subfields of solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric metal oxide electrodes. In this program, the understanding and the application of chemomechanical coupling of defect concentrations, ionic transport, electro-catalytic activity and stored elastic energy, particularly acute in the far-from-equilibrium conditions typical of energy device applications, are being refined and implications for device operation clarified, including for miniaturized solid-state batteries and fuel cells.
36 MATERIALS SCIENCE↗
Correlations far from equilibrium in charged strongly coupled fluids subjected to a strong magnetic field
Within a holographic model, we calculate the time evolution of 2-point and 1-point correlation functions (of selected operators) within a charged strongly coupled system of many particles. That system is thermalizing from an anisotropic initial charged state far from equilibrium towards equilibrium while subjected to a constant external magnetic field. One main result is that thermalization times for 2-point functions are significantly (approximately three times) larger than those of 1-point functions. Magnetic field and charge amplify this difference, generally increasing thermalization times. However, there is also a competition of scales between charge density, magnetic field, and initial anisotropy, which leads to an array of qualitative changes on the 2- and 1-point functions. There appears to be a strong effect of the medium on 2-point functions at early times, but approximately none at later times. At strong magnetic fields, an apparently universal thermalization time emerges, at which all 2-point functions appear to thermalize regardless of any other scale in the system. Hence, this time scale is referred to as saturation time scale. As extremality is approached in the purely charged case, 2- and 1-point functions appear to equilibrate at infinitely late time. We also compute 2-point functions of charged operators. Our results can be taken to model thermalization in heavy ion collisions, or thermalization in selected condensed matter systems.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Scattering off molecules far from equilibrium
We report that pump-probe gas phase X-ray scattering experiments, enabled by the development of X-ray free electron lasers, have advanced to reveal scattering patterns of molecules far from their equilibrium geometry. While dynamic displacements reflecting the motion of wavepackets can probe deeply into the reaction dynamics, in many systems, the thermal excitation embedded in the molecules upon optical excitation and energy randomization can create systems that encompass structures far from the ground state geometry. For polyatomic molecular systems, large amplitude vibrational motions are associated with anharmonicity and shifts of interatomic distances, making analytical solutions using traditional harmonic approximations inapplicable. More generally, the interatomic distances in a polyatomic molecule are not independent and the traditional equations commonly used to interpret the data may give unphysical results. Here, we introduce a novel method based on molecular dynamic trajectories and illustrate it on two examples of hot, vibrating molecules at thermal equilibrium. When excited at 200 nm, 1,3-cyclohexadiene (CHD) relaxes on a subpicosecond time scale back to the reactant molecule, the dominant pathway, and to various forms of 1,3,5-hexatriene (HT). With internal energies of about 6 eV, the energy thermalizes quickly, leading to structure distributions that deviate significantly from their vibrationless equilibrium. The experimental and theoretical results are in excellent agreement and reveal that a significant contribution to the scattering signal arises from transition state structures near the inversion barrier of CHD. In HT, our analysis clarifies that previous inconsistent structural parameters determined by electron diffraction were artifacts that might have resulted from the use of inapplicable analytical equations.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Directing the far-from-equilibrium assembly of nanoparticles in confined liquid crystals by hydrodynamic fields
The assembly of nematic colloids relies on long-range elastic interactions that can be manipulated through external stimuli. Confinement and the presence of a hydrodynamic field alter the defect structures and the energetic interactions between the particles. Here, the assembly landscape of nanoparticles embedded in a nematic liquid crystal confined in a nanochannel under a pressure-driven flow is determined. The dynamics of the liquid crystal tensor alignment field is determined through a Poisson-Bracket framework, namely the Stark–Lubensky equations, coupled with the zero-Reynolds momentum equations and the liquid crystal Landau-de Gennes free energy functional. A second order semi-implicit time integration and a three-dimensional Galerkin finite element method are used to resolve flow and nematic fields under several conditions. In general, the zero Reynolds flow displaces the defects around the particles in the upstream direction and renders the surface anchoring ineffective when the flow strength dominates over the nematic elasticity. More importantly, the potential of mean force for particle assembly is non-monotonic independent of surface anchoring. Our results show that the confinement length scale determines the repulsion/attraction transition between colloids, while the flow strength modifies the static defect structure surrounding the particles and determines the magnitude of the energetic barrier for successful assembly. In the attractive regime, the particles move at different rates through the nematic until one particle eventually catches up with the other. This process occurs against or along the direction of flow depending on the flow strength. Ultimately, these results provide a template for engineering and controlling the transport and assembly of nanoparticles under far-from equilibrium conditions in anisotropic media.
36 MATERIALS SCIENCE↗
Far From Equilibrium Hydrodynamics and the Beam Energy Scan
The existence of hydrodynamic attractors in rapidly expanding relativistic systems has shed light on the success of relativistic hydrodynamics in describing heavy-ion collisions at zero chemical potential. As the search for the QCD critical point continues, it is important to investigate how out of equilibrium effects influence the trajectories on the QCD phase diagram. In this proceedings, we study a Bjorken expanding hydrodynamic system based on DMNR equations of motion with initial out of equilibrium effects and finite chemical potential in a system with a critical point. We find that the initial conditions are not unique for a specific freeze-out point, but rather the system can evolve to the same final state freeze-out point with a wide range of initial baryon chemical potential, µ B . For the same initial energy density and baryon density, depending on how far out of equilibrium the system begins, the initial µ B can vary by Δµ B ~ 350 MeV. Furthermore, our results indicate that knowledge of the out-of-equilibrium effects in the initial state provide vital information that influences the search for the QCD critical point.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Entropy production far from equilibrium in a chiral charged plasma in the presence of external electromagnetic fields
We report on the time evolution of a charged strongly coupled N = 4 SYM plasma with an axial anomaly subjected to strong electromagnetic fields. The evolution of this plasma corresponds to a fully backreacted asymptotically AdS 5 solution to the Einstein-Maxwell-Chern-Simons theory. We explore the evolution of the axial current and production of axial charges. As an application we show that after a sufficiently long time both the entropy and the holographic entanglement entropy of a strip-like topology (both parallel to and transverse to the flow of axial current) grow linearly in time.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Non-perturbative rheological behavior of a far-from-equilibrium expanding plasma
Not Available
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Ultrafast infrared nano-imaging of far-from-equilibrium carrier and vibrational dynamics
Ultrafast infrared nano-imaging has demonstrated access to ultrafast carrier dynamics on the nanoscale in semiconductor, correlated-electron, or polaritonic materials. However, mostly limited to short-lived transient states, the contrast obtained has remained insufficient to probe important long-lived excitations, which arise from many-body interactions induced by strong perturbation among carriers, lattice phonons, or molecular vibrations. Here, we demonstrate ultrafast infrared nano-imaging based on excitation modulation and sideband detection to characterize electron and vibration dynamics with nano- to micro-second lifetimes. As an exemplary application to quantum materials, in phase-resolved ultrafast nano-imaging of the photoinduced insulator-to-metal transition in vanadium dioxide, a distinct transient nano-domain behavior is quantified. In another application to lead halide perovskites, transient vibrational nano-FTIR spatially resolves the excited-state polaron-cation coupling underlying the photovoltaic response. These examples show how heterodyne pump-probe nano-spectroscopy with low-repetition excitation extends ultrafast infrared nano-imaging to probe elementary processes in quantum and molecular materials in space and time.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗