Kibble-Zurek scenario and coarsening across nonequilibrium phase transitions in driven vortices and skyrmions
Not Available
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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The hard start phenomena in hypergolic engines. Volume 1: Bibliography
A bibliography of reports pertaining to the hard start phenomenon in attitude control rocket engines on Apollo spacecraft is presented. Some of the subjects discussed are; (1) combustion of hydrazine, (2) one dimensional theory of liquid fuel rocket combustion, (3) preignition phenomena in small pulsed rocket engines, (4) experimental and theoretical investigation of the fluid dynamics of rocket combustion, and (5) nonequilibrium combustion and nozzle flow in propellant performance.
Miron, Y.↗
Coronal holes - Mass loss driven by magnetic reconnection
A nonthermal mechanism for driving coronal hole mass loss is proposed. Three empirical results are noted, namely (1) that polar plumes with short-lived X-ray bright points (XBP) at their base are sites of matter flow sufficient to account for the total solar mass flux, (2) that solar wind densities are positively correlated with the number of XBP in coronal holes, and (3) that XBP are associated with newly emerged magnetic flux. It is noted that since the dynamical development following the onset of nonequilibrium is a hitherto unsolved problem, subsequent features in the scenario described here are relatively speculative. It is proposed that bubbles of matter ejected from magnetic reconnection sites in polar plumes drive the solar wind in coronal holes.
Mullan, D. J.↗
A review of shock waves around aeroassisted orbital transfer vehicles
Aeroassisted orbital transfer vehicles (AOTVs) are a proposed type of reusable spacecraft that would be used to transport cargoes from one Earth-bound orbit to another. Such vehicles could be based on the proposed space station and used to transport commercial satellites from the space station to geostationary orbits or to polar orbits and return. During a mission, AOTVs would fly through Earth's atmosphere, thus generating aerodynamic forces that could be used for decelerating the vehicles or changing their direction. AOTV research findings were concerned with the shock-wave-induced, high-temperature airflows that would be produced around these vehicles during atmospheric flight. Special emphasis was placed on the problems of: (1) the chemical physics of multitemperature, ionizing, nonequilibrium air flows, and (2) the dynamics of the flows in the base region of a blunt body with complex afterbody geometry.
Park, C.↗
A review of shock waves around aeroassisted orbital transfer vehicles
Aeroassisted orbital transfer vehicles (AOTVs) are a proposed type of reusable spacecraft that would be used to transport cargoes from one earth-bound orbit to another. Such vehicles could be based on the proposed space station and used to transport commercial satellites from the space station to geostationary orbits or to polar orbits and return. During a mission, AOTVs would fly through earth's atmosphere, thus generating aerodynamic forces that could be used for decelerating the vehicles or changing their direction. AOTV research findings were concerned with the shock-wave-induced, high-temperature airflows that would be produced around these vehicles during atmospheric flight. Special emphasis was placed on the problems of: (1) the chemical physics of multitemperature, ionizing, nonequilibrium air flows, and (2) the dynamics of the flows in the base region of a blunt body with complex afterbody geometry.
Park, C.↗
Violation of detailed balance in non-equilibrium magnons observed by inelastic neutron scattering
Traditional inelastic neutron scattering (INS) characterizes excitations—such as phonons and magnons—in condensed matter systems at thermodynamic equilibrium. However, the most intriguing and puzzling many-body effects in open quantum systems often emerge from dissipative dynamics that are inherently out of equilibrium. Here, we use a combination of laser pumping and INS to experimentally observe long-lived nonequilibrium magnons in a two-dimensional (2D) square-lattice Heisenberg antiferromagnet. These nonequilibrium magnons manifest themselves as a violation of detailed balance in the dynamic structure factor and reach steady states under periodic driving, analogous to nonequilibrium steady states in driven dissipative systems. Furthermore, we show that the violation of detailed balance reflects the quantum-mechanical nature of the underlying dynamical system, where out-of-time-ordered correlations of creation and annihilation operators do not satisfy commutation relations. The in operando INS technique developed here provides a new approach to studying nonequilibrium magnons in prototypical 2D quantum magnets and can be extended to other systems, including one-dimensional spin chains and topological many-body spin systems, where nonequilibrium effects are widespread and rich in discovery potential.
Hua, Chengyun [Oak Ridge National Laboratory (ORNL↗
Development of a 3-D upwind PNS code for chemically reacting hypersonic flowfields
Two new parabolized Navier-Stokes (PNS) codes were developed to compute the three-dimensional, viscous, chemically reacting flow of air around hypersonic vehicles such as the National Aero-Space Plane (NASP). The first code (TONIC) solves the gas dynamic and species conservation equations in a fully coupled manner using an implicit, approximately-factored, central-difference algorithm. This code was upgraded to include shock fitting and the capability of computing the flow around complex body shapes. The revised TONIC code was validated by computing the chemically-reacting (M(sub infinity) = 25.3) flow around a 10 deg half-angle cone at various angles of attack and the Ames All-Body model at 0 deg angle of attack. The results of these calculations were in good agreement with the results from the UPS code. One of the major drawbacks of the TONIC code is that the central-differencing of fluxes across interior flowfield discontinuities tends to introduce errors into the solution in the form of local flow property oscillations. The second code (UPS), originally developed for a perfect gas, has been extended to permit either perfect gas, equilibrium air, or nonequilibrium air computations. The code solves the PNS equations using a finite-volume, upwind TVD method based on Roe's approximate Riemann solver that was modified to account for real gas effects. The dissipation term associated with this algorithm is sufficiently adaptive to flow conditions that, even when attempting to capture very strong shock waves, no additional smoothing is required. For nonequilibrium calculations, the code solves the fluid dynamic and species continuity equations in a loosely-coupled manner. This code was used to calculate the hypersonic, laminar flow of chemically reacting air over cones at various angles of attack. In addition, the flow around the McDonnel Douglas generic option blended-wing-body was computed and comparisons were made between the perfect gas, equilibrium air, and the nonequilibrium air results.
Tannehill, J. C.↗
Computing equilibrium free energies through a nonequilibrium quench
Many methods to accelerate sampling of molecular configurations are based on the idea that temperature can be used to accelerate rare transitions. These methods typically compute equilibrium properties at a target temperature using reweighting or through Monte Carlo exchanges between replicas at higher temperatures. A recent paper [G. M. Rotskoff and E. Vanden-Eijnden, Phys. Rev. Lett. 122, 150602 (2019)] demonstrated that accurate equilibrium densities of states can also be computed through a nonequilibrium “quench” process, where sampling is performed at a higher temperature to encourage rapid mixing and then quenched to lower energy states with dissipative dynamics. Here, we provide an implementation of the quench dynamics in LAMMPS and evaluate a new formulation of nonequilibrium estimators for the computation of partition functions or free energy surfaces (FESs) of molecular systems. We show that the method is exact for a minimal model of N-independent harmonic springs and use these analytical results to develop heuristics for the amount of quenching required to obtain accurate sampling. We then test the quench approach on alanine dipeptide, where we show that it gives an FES that is accurate near the most stable configurations using the quench approach but disagrees with a reference umbrella sampling calculation in high FE regions. We then show that combining quenching with umbrella sampling allows the efficient calculation of the free energy in all regions. Moreover, by using this combined scheme, we obtain the FES across a range of temperatures at no additional cost, making it much more efficient than standard umbrella sampling if this information is required. Finally, we discuss how this approach can be extended to solute tempering and demonstrate that it is highly accurate for the case of solvated alanine dipeptide without any additional modifications.
Chemistry↗
Response theory for nonequilibrium steady states of open quantum systems
Not Available
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Dynamical Scaling Reveals Topological Defects and Anomalous Evolution of a Photoinduced Phase Transition
Nonequilibrium states of quantum materials can exhibit exotic properties and enable unprecedented functionality and applications. These transient states are inherently inhomogeneous, characterized by the formation of topologically protected structures, requiring nanometer spatial resolution on femtosecond timescales to resolve their evolution. Using ultrafast total x-ray scattering at a free electron laser and a sophisticated scaling analysis, we gain unique access to the dynamics on the relevant mesoscopic length scales. Our results provide direct evidence that ultrafast excitation of LaTe 3 leads to formation of topological vortex strings of the charge density wave. These dislocations of the charge density wave exhibit anomalous, subdiffusive dynamics, slowing the equilibration process, providing rare insight into the nonequilibrium mesoscopic response in a quantum material. Our findings establish a general framework to investigate properties of topological defects, which are expected to be ubiquitous in nonequilibrium phase transitions and may arrest equilibration and enhance competing orders.
Orenstein, Gal [SLAC National Accelerator Laborato↗
Dynamical Scaling Reveals Topological Defects and Anomalous Evolution of a Photoinduced Phase Transition
Nonequilibrium states of quantum materials can exhibit exotic properties and enable unprecedented functionality and applications. These transient states are inherently inhomogeneous, characterized by the formation of topologically protected structures, requiring nanometer spatial resolution on femtosecond timescales to resolve their evolution. Using ultrafast total x-ray scattering at a free electron laser and a sophisticated scaling analysis, we gain unique access to the dynamics on the relevant mesoscopic lengthscales. Our results provide direct evidence that ultrafast excitation of LaTe$_3$ leads to formation of topological vortex strings of the charge density wave. These dislocations of the charge density wave exhibit anomalous, subdiffusive dynamics, slowing the equilibration process, providing rare insight into the nonequilibrium mesoscopic response in a quantum material. Our findings establish a general framework to investigate properties of topological defects, which are expected to be ubiquitous in nonequilibrium phase transitions and may arrest equilibration and enhance competing orders.
FOS: Physical sciences↗
Thermodynamic Control of Activity Patterns in Cytoskeletal Networks
Biological materials, such as the actin cytoskeleton, exhibit remarkable structural adaptability to various external stimuli by consuming different amounts of energy. In this Letter, we use methods from large deviation theory to identify a thermodynamic control principle for structural transitions in a model cytoskeletal network. Specifically, we demonstrate that biasing the dynamics with respect to the work done by nonequilibrium components effectively renormalizes the interaction strength between such components, which can eventually result in a morphological transition. Further, our work demonstrates how a thermodynamic quantity can be used to renormalize effective interactions, which in turn can tune structure in a predictable manner, suggesting a thermodynamic principle for the control of cytoskeletal structure and dynamics.
59 BASIC BIOLOGICAL SCIENCES↗
Theory of capillary tension and interfacial dynamics of motility-induced phases
The statistical mechanics of equilibrium interfaces has been well-established for over a half century. In the past decade, a wealth of observations have made increasingly clear that a new perspective is required to describe interfaces arbitrarily far from equilibrium. In this work, beginning from microscopic particle dynamics that break time-reversal symmetry, we derive the linear interfacial dynamics of coexisting motility-induced phases. Doing so allows us to identify the athermal energy scale that excites interfacial fluctuations and the nonequilibrium surface tension that resists these excitations. Our theory identifies that, in contrast to equilibrium fluids, this active surface tension contains contributions arising from nonconservative forces which act to suppress interfacial fluctuations and, crucially, is distinct from the mechanical surface tension of Kirkwood and Buff. Here we find that the interfacial stiffness scales linearly with the intrinsic persistence length of the constituent active particle trajectories, in agreement with simulation data. We demonstrate that at wavelengths much larger than the persistence length, the interface obeys surface-area minimizing Boltzmann statistics with our derived nonequilibrium interfacial stiffness playing a role identical to that of equilibrium systems.
36 MATERIALS SCIENCE↗
Observing Quantum Measurement Collapse as a Learnability Phase Transition
During a quantum measurement, superpositions of states with different observable properties probabilistically collapse into one with a sharp value of the measured observable. In macroscopic quantum systems, this collapse arises via a continuous measurement-induced phase transition (MIPT) at a critical value of the strength of interaction with the measurement apparatus. MIPTs lie outside established paradigms for equilibrium or nonequilibrium critical phenomena and delineate distinct, stable dynamical and computational phases of matter. Quantum computers enable programmable simulation of the interaction of a measurement apparatus with a dynamical quantum system, to explore MIPT phenomena over a range of system sizes while retaining quantum coherence. Yet, existing experimental protocols rely on fundamentally nonscalable postselection techniques or direct classical simulation of quantum circuits. Here, we report the scalable observation of finite-size scaling evidence for an observable-sharpening MIPT in monitored quantum circuits in a chain of Yb + 171 ions in Quantinuum’s H1-1 trapped-ion quantum processor. By leveraging an equivalent description as a statistical physics problem, we implement scalable classical algorithms to infer the value of the measured observable from a single experimental shot. This technique enables a truly scalable protocol to observe observable-sharpening MIPTs in generic classes of circuits that cannot be directly classically simulated and also provides enhanced means to detect and suppress errors in the quantum simulation. Published by the American Physical Society 2024
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Computational fluid dynamics and aerothermodynamics
The primary objective was the development of nonequilibrium radiation and chemistry models suitable for engineering applications associated with the flow fields about aeroassisted orbital transfer vehicles (AOTVs), the aero-assisted flight experiment vehicle (AFE), and other vehicles operating at superorbital velocities and very high attitudes.
Carlson, Leland A.↗
Shock Layer Radiation Measurements and Analysis for Mars Entry
NASA's In-Space Propulsion program is supporting the development of shock radiation transport models for aerocapture missions to Mars. A comprehensive test series in the NASA Antes Electric Arc Shock Tube facility at a representative flight condition was recently completed. The facility optical instrumentation enabled spectral measurements of shocked gas radiation from the vacuum ultraviolet to the near infrared. The instrumentation captured the nonequilibrium post-shock excitation and relaxation dynamics of dispersed spectral features. A description of the shock tube facility, optical instrumentation, and examples of the test data are presented. Comparisons of measured spectra with model predictions are also made.
Bose, Deepak↗
Hydrodynamic Interactions in Topologically Linked Ring Polymers.
Despite decades of interdisciplinary research on topologically linked ring polymers, their dynamics remain largely unstudied. These systems represent a major scientific challenge as they are often subject to both topological and hydrodynamic interactions (HI), which render dynamical solutions either mathematically intractable or computationally prohibitive. Here we circumvent these limitations by preaveraging the HI of linked rings. We show that the symmetry of ring polymers leads to a hydrodynamic decoupling of ring dynamics. This decoupling is valid even for nonideal polymers and nonequilibrium conditions. Physically, our findings suggest that the effects of topology and HI are nearly independent and do not act cooperatively to influence polymer dynamics. We use this result to develop highly efficient Brownian dynamics algorithms that offer enormous performance improvements over conventional methods and apply these algorithms to simulate catenated ring polymers at equilibrium, confirming the independence of topological effects and HI. The methods developed here can be used to study and simulate large systems of linked rings with HI, including kinetoplast DNA, Olympic gels, and poly[n]catenanes.
Rauscher, Phillip M.↗
Picosecond volume expansion drives a later-time insulator–metal transition in a nano-textured Mott insulator
There is significant technological interest in developing ever faster switching between different electronic and magnetic states of matter. Manipulating properties at terahertz rates requires accessing the intrinsic timescales of both electrons and associated phonons, which is possible with short-pulse photoexcitation. However, in many Mott insulators, the electronic transition is accompanied by the nucleation and growth of percolating domains of the changed lattice structure, leading to empirical timescales dominated by slowly coarsening dynamics. Here, in this study, we use time-resolved X-ray diffraction and reflectivity measurements to show that the photoinduced insulator-to-metal transition in an epitaxially strained Mott insulating thin film occurs without observable domain formation and coarsening effects, allowing the study of the intrinsic electronic and lattice dynamics. Above a fluence threshold, the initial electronic excitation drives a fast lattice rearrangement, which is followed by a slower electronic evolution into a metastable nonequilibrium state. Microscopic model calculations based on time-dependent dynamical mean-field theory and semiclassical lattice dynamics explain the threshold behaviour and elucidate the delayed onset of the electronic phase transition. This work highlights the importance of combined electronic and structural studies in unravelling the physics of dynamic transitions and the timescales of photoinduced processes. During a photoinduced phase transition, electronic rearrangements are usually faster than lattice ones. Time-resolved measurements now show that the insulator-to-metal transition in a thin-film Mott insulator is preceded by lattice reconfiguration.
36 MATERIALS SCIENCE↗