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At least 577 records · Page 32

Discrete Time-Crystalline Order Enabled by Quantum Many-Body Scars: Entanglement Steering via Periodic Driving

The control of many-body quantum dynamics in complex systems is a key challenge in the quest to reliably produce and manipulate large-scale quantum entangled states. Recently, quench experiments in Rydberg atom arrays [Bluvstein et al. Science 371, 1355 (2021)] demonstrated that coherent revivals associated with quantum many-body scars can be stabilized by periodic driving, generating stable subharmonic responses over a wide parameter regime. We analyze a simple, related model where these phenomena originate from spatiotemporal ordering in an effective Floquet unitary, corresponding to discrete time-crystalline behavior in a prethermal regime. Unlike conventional discrete time crystals, the subharmonic response exists only for Néel-like initial states, associated with quantum scars. We predict robustness to perturbations and identify emergent timescales that could be observed in future experiments. Our results suggest a route to controlling entanglement in interacting quantum systems by combining periodic driving with many-body scars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High temperature thick film sensor development based on doped lanthanum chromites refractory semiconductors materials

High temperature advanced sensing materials have generated high demand due the high accuracy temperature measurements requirements for process optimization, controlling and sensing. Some technological applications of harsh conditions sensing include monitoring tiles of space shuttles, rotating bearings in aircraft engines, turbines, jet engines dynamics and chemical reactors. High temperature conditions limit the sensing strategies, where typically traditional metal thermocouples are unstable, and the sensing options are limited to optical spectroscopy methods. Recently, refractory semiconductors thick- and thin-film thermocouples have been developed and, in many cases, preferred over conventional metallic thermocouples due their spatial resolution, and capability of direct deposition on any surface. Rare earth chromites ceramics materials, exhibit some properties of interest for high temperature sensing technologies development, such as: high microstructure and sintering stability, excellent conductive behavior at high temperatures, and matching thermal expansion coefficients relative to other conductors and refractory ceramics. In this work, high performance ultra-high temperature thermocouples using p-type and n-type doped lanthanum chromites materials were fabricated and tested at temperatures up to 1500 o C. Thermoelectric voltage, Seebeck Coefficients were established for all devices, evidencing high stability and performance in prolongated operational time and harsh conditions.

20 FOSSIL-FUELED POWER PLANTS↗

Stochastic density functional theory combined with Langevin dynamics for warm dense matter

Here, this study overviews and extends a recently developed stochastic finite-temperature Kohn-Sham density functional theory to study warm dense matter using Langevin dynamics, specifically under periodic boundary conditions. The method's algorithmic complexity exhibits nearly linear scaling with system size and is inversely proportional to the temperature. Additionally, a linear-scaling stochastic approach is introduced to assess the Kubo-Greenwood conductivity, demonstrating exceptional stability for dc conductivity. Utilizing the developed tools, we investigate the equation of state, radial distribution, and electronic conductivity of hydrogen at a temperature of 30 000 K. As for the radial distribution functions, we reveal a transition of hydrogen from gaslike to liquidlike behavior as its density exceeds 4 g/cm 3 . As for the electronic conductivity as a function of the density, we identified a remarkable isosbestic point at frequencies around 7 eV, which may be an additional signature of a gas-liquid transition in hydrogen at 30 000 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Topology-Dependent Polymer Stretching and Scission in Solution at Extreme Shear Rates

There has been significant interest in the engineering of polymer topology to control rheology and mechanical stability in dilute solutions for applications involving extreme shear rate flows. However, methods to experimentally probe properties at relevant shear rates (≈ 10 4 –10 6 s –1 ) have remained ex situ, obscuring access to measures of polymer deformation and rheology that would otherwise provide mechanistic insight into the topology-dependent properties that control their behavior in extreme shear flows. In this study, we used novel in situ small angle neutron scattering measurements in a capillary rheometer (capillary rheo-SANS) to simultaneously measure solution viscosities and polymer deformations in high shear on a series of chemically homologous topology-defined polymers including linear, randomly branched, and star-shaped molecules. We demonstrate that differences in the onset of chain stretching and shear thinning of these polymers in dilute solution are controlled primarily by differences in their molecular relaxation time. These differences correlate with differences in chain scission inferred from ex situ measurements at more extreme shear rates. Together, the results demonstrate a direct coupling between chain deformation and scission, and suggest that the dominant effect of branching as a means to impart resilience against mechanical degradation is through differences in relaxation dynamics due to branching. We anticipate that these results will provide key insights to engineer topology-controlled polymers for rheological modification, mechanical stability, and controlled mechano-chemistry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Relative motion characteristics of 2 near-Earth Satellites

The stability of the nonlinear dynamical system of two GRAVSAT - type satellites was investigated by performing several numerical experiments which provide the simulations of the relative motion characteristics between the two satellites for various specified time intervals. The simulations included the relative range, range-rate, and relative acceleration magnitude. These simulations were generated with respect to appropriate initial orbital elements which were obtained such that the instantaneous separation distance between the two satellites has small fluctuations from a specified constant separation distance. The simulation results indicate that the behavior of the relative motions is very sensitive to the initial orbital elements of the satellites and that for a specified time interval of interest. A stable behavior is possible only with the use of an appropriate set of initial orbital elements compatible with the gravity field used to derive them.

Schutz, B. E.↗

A fluid-structure interaction solver for investigating torsional galloping in solar-tracking photovoltaic panel arrays

Solar-tracking photovoltaic arrays are susceptible to aeroelastic fluttering during high-wind events. This dynamic fluttering behavior can grow in amplitude until the panels enter an unstable mode known as torsional galloping which can lead to panel failure or total array destruction. To better understand the physics of the torsional galloping phenomenon and to inform the discussion around panel design and recommended panel stow positions during high wind events, a fluid-structure interaction solver composed of a simulated atmospheric boundary layer with simplified panel structural responses was designed. The simulation choices and features of this solver were informed by the geometry and physical properties of an experimental panel array known to exhibit torsional galloping behavior during hind-wind events. Furthermore, these simulations revealed that the torsional galloping instability is driven by a combination of cyclic vortex shedding from the sun-facing side of the panel and the elastic properties of the torque tube linking the panel assemblies. Testing different stow angles across a range of wind speeds indicates that panels are generally more stable when stowed at negative angles where the leading edge is closer to the ground, hypothesized to be due to ground-blocking effects. These results are supplemented by a discussion of stability trends noted during testing and possible implications when considering multi-row array interactions.

14 SOLAR ENERGY↗

Hall–Petch strengthening limit through partially active segregation in nanocrystalline Ag-Cu alloys

The breakdown from grain-size strengthening to softening mechanisms is generally well understood for high-purity nanocrystalline materials when the mean grain size decreases to the nanometer range. In nanocrystalline alloys, however, the stabilization of nanosized grains by grain-boundary solute segregation complicates the above mechanisms. Moreover, current segregation models have little predictive power for determining the optimal solute content that maximizes Hall-Petch strengthening effects. In this article, using large-scale hybrid Monte-Carlo/molecular dynamic simulations, we present a systematic study of the Hall–Petch breakdown in Cu-segregated Ag alloys with grain sizes ranging from 8 nm to 59 nm, where three concentration-dependent regimes of plasticity are described: (1) Classical segregation strengthening behavior at low solute contents, (2) shear band-induced softening at high solute contents, and (3) a previously unknown, but extended plateau of maximum strengths for intermediate solute contents from 4 to 15 at.%, which we term as nanocrystalline Sterling silver. We find that flow strengths in nanocrystalline Sterling alloys naturally exhibit a zero-slope limit at the smallest grain sizes that is well below the ideal Hall–Petch strengthening trend. This phenomenon results from partially active grain-boundary segregation that acts to influence interfacial plasticity in some, but not all, grain boundary regions. Our findings amplify the atomic nature of solute segregation and interaction at grain boundaries and its complex roles on grain boundary-mediated plasticity mechanisms in nanocrystalline alloys.

36 MATERIALS SCIENCE↗

Chain Flexibility and Structure of a Polyimide Copolymer: Revisiting the Freely Rotating Chain Model

Poly(4–4′-oxydiphenylene-pyromellitimide)-based polyimides─trade name Kapton─have wide-ranging engineering applications owing to their thermal and mechanical stability, but little is known about underlying chain-level characteristics. While theoretical models have conceptualized Kapton as inflexible polycyclic rods separated by freely rotating diphenyl ether hinge groups, the model’s core predictions remain untested and subtleties of the relaxation behavior are missed, which atomistic modeling can resolve. To these ends, we examine all-atom Kapton structures in crystalline and glassy amorphous configurations using a DFT-validated class II force field. Constructing amorphous configurations is challenging, as the fused-ring-containing backbone has slow relaxation dynamics and scaling suggestive of entanglements even in oligomers. In conclusion, we find larger backbone rearrangements of the linear polycyclic segments about ether groups that are consistent with the rod-hinge picture on the monomer scale, whereas a ring rotation analysis suggests partially flexible rod-like segments and involves multiple facile rotational relaxation modes.

Liesen, Nicholas T. [Lawrence Livermore National L↗

Spurious frequencies as a result of numerical boundary treatments

The stability theory for finite difference Initial Boundary-Value approximations to systems of hyperbolic partial differential equations states that the exclusion of eigenvalues and generalized eigenvalues is a sufficient condition for stability. The theory, however, does not discuss the nature of numerical approximations in the presence of such eigenvalues. In fact, as was shown previously, for the problem of vortex shedding by a 2-D cylinder in subsonic flow, stating boundary conditions in terms of the primitive (non-characteristic) variables may lead to such eigenvalues, causing perturbations that decay slowly in space and remain periodic time. Characteristic formulation of the boundary conditions avoided this problem. A more systematic study of the behavior of the (linearized) one-dimensional gas dynamic equations under various sets of oscillation-inducing legal boundary conditions is reported.

Abarbanel, Saul↗

Liquid-Propellant Rocket Engine Throttling: A Comprehensive Review

Liquid-Propellant Rocket Engines (LREs) are capable of on-command variable thrust or thrust modulation, an operability advantage that has been studied intermittently since the late 1930s. Throttleable LREs can be used for planetary entry and descent, space rendezvous, orbital maneuvering including orientation and stabilization in space, and hovering and hazard avoidance during planetary landing. Other applications have included control of aircraft rocket engines, limiting of vehicle acceleration or velocity using retrograde rockets, and ballistic missile defense trajectory control. Throttleable LREs can also continuously follow the most economical thrust curve in a given situation, compared to discrete throttling changes over a few select operating points. The effects of variable thrust on the mechanics and dynamics of an LRE as well as difficulties and issues surrounding the throttling process are important aspects of throttling behavior. This review provides a detailed survey of LRE throttling centered around engines from the United States. Several LRE throttling methods are discussed, including high-pressure-drop systems, dual-injector manifolds, gas injection, multiple chambers, pulse modulation, throat throttling, movable injector components, and hydrodynamically dissipative injectors. Concerns and issues surrounding each method are examined, and the advantages and shortcomings compared.

Casiano, Matthew↗

6DOF Testing of the SLS Inertial Navigation Unit

The Navigation System on the NASA Space Launch System (SLS) Block 1 vehicle performs initial alignment of the Inertial Navigation System (INS) navigation frame through gyrocompass alignment (GCA). Because the navigation architecture for the SLS Block 1 vehicle is a purely inertial system, the accuracy of the achieved orbit relative to mission requirements is very sensitive to initial alignment accuracy. The assessment of this sensitivity and many others via simulation is a part of the SLS Model-Based Design and Model-Based Requirements approach. As a part of the aforementioned, 6DOF Monte Carlo simulation is used in large part to develop and demonstrate verification of program requirements. To facilitate this and the GN&C flight software design process, an SLS-Program-controlled Design Math Model (DMM) of the SLS INS was developed by the SLS Navigation Team. The SLS INS model implements all of the key functions of the hardware-namely, GCA, inertial navigation, and FDIR (Fault Detection, Isolation, and Recovery)-in support of SLS GN&C design requirements verification. Despite the strong sensitivity to initial alignment, GCA accuracy requirements were not verified by test due to program cost and schedule constraints. Instead, the system relies upon assessments performed using the SLS INS model. In order to verify SLS program requirements by analysis, the SLS INS model is verified and validated against flight hardware. In lieu of direct testing of GCA accuracy in support of requirement verification, the SLS Navigation Team proposed and conducted an engineering test to, among other things, validate the GCA performance and overall behavior of the SLS INS model through comparison with test data. This paper will detail dynamic hardware testing of the SLS INS, conducted by the SLS Navigation Team at Marshall Space Flight Center's 6DOF Table Facility, in support of GCA performance characterization and INS model validation. A 6-DOF motion platform was used to produce 6DOF pad twist and sway dynamics while a simulated SLS flight computer communicated with the INS. Tests conducted include an evaluation of GCA algorithm robustness to increasingly dynamic pad environments, an examination of GCA algorithm stability and accuracy over long durations, and a long-duration static test to gather enough data for Allan Variance analysis. Test setup, execution, and data analysis will be discussed, including analysis performed in support of SLS INS model validation.

Geohagan, Kevin↗

6DOF Testing of the SLS Inertial Navigation Unit

The Navigation System on the NASA Space Launch System (SLS) Block 1 vehicle performs initial alignment of the Inertial Navigation System (INS) navigation frame through gyrocompass alignment (GCA). In lieu of direct testing of GCA accuracy in support of requirement verification, the SLS Navigation Team proposed and conducted an engineering test to, among other things, validate the GCA performance and overall behavior of the SLS INS model through comparison with test data. This paper will detail dynamic hardware testing of the SLS INS, conducted by the SLS Navigation Team at Marshall Space Flight Center's 6DOF Table Facility, in support of GCA performance characterization and INS model validation. A 6-DOF motion platform was used to produce 6DOF pad twist and sway dynamics while a simulated SLS flight computer communicated with the INS. Tests conducted include an evaluation of GCA algorithm robustness to increasingly dynamic pad environments, an examination of GCA algorithm stability and accuracy over long durations, and a long-duration static test to gather enough data for Allan Variance analysis. Test setup, execution, and data analysis will be discussed, including analysis performed in support of SLS INS model validation.

Geohagan, Kevin W.↗

Lignin-Derived Methoxyterephthalates for Performance-Advantaged Polymers and Plasticizers

Lignin-derived aromatic carboxylic acids can be produced from oxidative catalytic processes and are promising building blocks for performance-advantaged bioproducts that leverage their inherent heteroatom functionalities. Here, we synthesize 2-methoxyterephthalate and 2,6-dimethoxyterephthalate derivatives by electrochemical carboxylation of guaiacyl- and syringyl-derived lignin monomers obtained from the oxidative deconstruction of lignin. These methoxylated terephthalates are evaluated as comonomers in poly(ethylene terephthalate) (PET) and as plasticizers that could replace petrochemically-derived isophthalate and phthalate, respectively. Specifically, we copolymerize 2-methoxy- and 2,6-dimethoxyterephthalate with dimethyl terephthalate to form several PET copolymers, both of which enable the properties of PET to be tuned, with an incorporation beyond 25% producing amorphous polyesters. At 10 mol % loading in the copolymers, we demonstrate that the bioderived comonomers exhibit comparable behavior to isophthalic acid, a commonly used comonomer in PET, by lowering the crystallinity and melting temperature. Moreover, methoxyterephthalate esters (2-ethylhexyl and butyl) are compared to phthalate and terephthalate ester counterparts used as poly(vinyl chloride) (PVC) plasticizers. The bioderived plasticizers are comparable to the petroleum-derived incumbents in reducing the glass transition temperature and increasing the thermal stability of PVC. Furthermore, the dimethoxyterephthalic esters are expected to have an extended lifetime in the polymer matrix due to their lower volatility and lower diffusion coefficients calculated by molecular dynamic simulations. These results demonstrate that the isophthalate and phthalate components in polyesters and plasticizers, respectively, could be substituted with biobased methoxyterephthalate derivatives.

09 BIOMASS FUELS↗

Exploring Cr and molten salt interfacial interactions for molten salt applications

Molten salts play an important role in various energy-related applications such as high-temperature heat transfer fluids and reaction media. However, the extreme molten salt environment causes the degradation of materials, raising safety and sustainability challenges. A fundamental understanding of material–molten salt interfacial evolution is needed. This work studies the transformation of metallic Cr in molten 50/50 mol% KCl–MgCl 2 via multi-modal in situ synchrotron X-ray nano-tomography, diffraction and spectroscopy combined with density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Notably, in addition to the dissolution of Cr in the molten salt to form porous structures, a δ-A15 Cr phase was found to gradually form as a result of the metal–salt interaction. This phase change of Cr is associated with a change in the coordination environment of Cr at the interface. DFT and AIMD simulations provide a basis for understanding the enhanced stability of δ-A15 Cr vs. bcc Cr, by revealing their competitive phase thermodynamics at elevated temperatures and probing the interfacial behavior of the molten salt at relevant facets. This study provides critical insights into the morphological and chemical evolution of metal–molten salt interfaces. Finally, the combination of multimodal synchrotron analysis and atomic simulation also offers an opportunity to explore a broader range of systems critical to energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Convective Effects During the Physical Vapor Transport Process. II - Thermosolutal Convection

The effect of an inert gas on the diffusive-convective physical vapor transport process is investigated for the case when the temperature gradient is stabilizing, and the concentration gradient destabilizing, for a wide parametric range. When an inert gas is present, the thermal and solutal convection oppose each other. The solutal field is destabilizing while the thermal field and the advective-diffusive flux stabilize the flow field. When the pressure of the inert component is increased, the stabilizing effect of the advective-diffusive flux is decreased; thus, convection becomes more vigorous. The nonlinear dynamics of the flow field here show a transition from quasi-periodic to chaotic state. When both stabilizing mechanisms are present, the flow field shows a transition to a steady state. Toward steady state, growth and amalgamation of rolls occur, which result in an overturning motion. This leads to a superposed flow consisting of one roll and a unidirectional flow. However, when the pressure is increased, the advective-diffusive stability mechanism is decreased. and oscillations of the flow field occur. The low gravity environment is effective at eliminating oscillatory behavior of the flow field and results in uniform temperature and concentration gradients.

Duval, Walter M. B.↗

An Improved Approach to the Predictability & Reliability of the Onset of Turbulence With Shocks

The construction of numerical schemes for (a) stable and accurate simulation of turbulence with strong shocks, and for (b) obtaining correct propagation speed of discontinuities in the presence of stiff source terms share one important ingredient – minimization of numerical dissipation while maintaining numerical stability. The dual requirements to achieve both numerical stability and minimal numerical dissipation are often conflicting since existing shock capturing schemes were designed mainly to be robust for rapidly developed turbulence-free flows and for shock waves without stiff source term. For the past two decades, Yee and collaborators have focused on an improved understanding of the nonlinear behavior of different high order shock-capturing methods. It was found that even very high order methods without proper nonlinear stability and numerical dissipation control can either numerically smear the onset of turbulence due to excess numerical dissipation, or induce (onset) numerical turbulence that is not physical turbulence due to lack of proper numerical dissipation to improve nonlinear stability for long time integration. Our approach is to combine (I) and (II) below for obtaining the physically correct onset of turbulence with shocks, including problems with stiff source terms: (I) Nonlinear dynamics is utilized to complement the traditional linearized stability theory (Yee & Sweby, Yee et al., Griffiths et al., Lafon & Yee, Yee, Wang et al., Kotov et al. 1990- 2015) in order to (i) Minimize numerically induced false transition to turbulence, (ii) Minimize numerical instability due to long time integration of turbulent flows, (iii) Minimize numerically induced standing wave solutions, and (iv) Minimize wrong propagation of speed of discontinuities due to the presence of stiff source terms. (II) Our recently developed physical preserving (structural preserving) high order methods with improved nonlinear stability & accuracy that are essential in minimizing spurious numerics are used.

HECC↗

Unseeded, spontaneous nucleation of spherulitic magnesium calcite

Most of the sedimentary carbonates deposited in the marine environments are composed of calcium carbonate minerals with varying amounts of incorporated Mg 2+ . However, understanding how interactions of impurities with carbonate and their incorporation affect sediments behavior remains a challenge. Here, a new insight is obtained by monitoring solution composition, morphology, and electrokinetic potential of carbonate particles formed in a spontaneous unseeded batch precipitation experiment using electrochemical and scanning electron microscopy methods. The solid composition and growth rate are extracted from changes in the bulk composition and fitted to chemical affinity rate law, revealing that the precipitation pathway consists of second-order dissolution and first-order precipitation. The molecular dynamics simulations show that the lattice strain induced by randomly substituting Ca 2+ by Mg 2+ stabilizes spherical nanoparticles and reduces their surface area and volume. Combining kinetics and thermodynamics insight, we conclude that variation in the carbonate bulk and interfacial energies, along with the solution supersaturation, lead to the dissolution-precipitation transformation pathway from Mg-rich to Mg-poor carbonate phase that preserves spherulitic morphology. Furthermore, our findings are relevant for long-standing questions of how impurities influence diagenesis of carbonate sediments and spherulitic carbonate particles' origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Progress in D-region studies during MAP

During MAP, active studies of the ionospheric D region were performed. The most interesting and fruitful were those in which variations of D region parameters and of the dynamical regime of the middle atmosphere were intercompared. As a result, the general picture of the D region behavior became much clearer than before. It appears that the D region is strongly influenced by dissipation of internal gravity waves which come from below and are destroyed at altitudes 80 to 100 km. This influence is much stronger in winter than in summer due to the filtering effect of the stratospheric circulation on these waves. As a result, strong day-to-day variability of the D region in winter and relative stability in summer, is now clear.

Danilov, A. D.↗