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At least 379 records · Page 21

Microscopic Origins of the Nonlinear Behavior of Particle-Filled Rubber Probed with Dynamic Strain XPCS

The underlying microscopic response of filler networks in reinforced rubber to dynamic strain is not well understood due to the experimental difficulty of directly measuring filler network behavior in samples undergoing dynamic strain. This difficulty can be overcome with in situ X-ray photon correlation spectroscopy (XPCS) measurements. The contrast between the silica filler and the rubber matrix for X-ray scattering allows us to isolate the filler network behavior from the overall response of the rubber. This in situ XPCS technique probes the microscopic breakdown and reforming of the filler network structure, which are responsible for the nonlinear dependence of modulus on strain, known in the rubber science community as the Payne effect. These microscopic changes in the filler network structure have consequences for the macroscopic material performance, especially for the fuel efficiency of tire tread compounds. In this work, we elucidate the behavior with in situ dynamic strain XPCS experiments on industrially relevant, vulcanized rubbers filled (13 vol %) with novel air-milled silica of ultrahigh-surface area (UHSA) (250 m 2 /g). The addition of a silane coupling agent to rubber containing this silica causes an unexpected and counterintuitive increase in the Payne effect and decrease in energy dissipation. For this rubber, we observe a nearly two-fold enhancement of the storage modulus and virtually equivalent loss tangent compared to a rubber containing a coupling agent and conventional silica. Interpretation of our in situ XPCS results simultaneously with interpretation of traditional dynamic mechanical analysis (DMA) strain sweep experiments reveals that the debonding or yielding of bridged bound rubber layers is key to understanding the behavior of rubber formulations containing the silane coupling agent and high-surface area silica. These results demonstrate that the combination of XPCS and DMA is a powerful method for unraveling the microscale filler response to strain which dictates the dynamic mechanical properties of reinforced soft matter composites. With this combination of techniques, we have elucidated the great promise of UHSA silica when used in concert with a silane coupling agent in filled rubber. Such composites simultaneously exhibit large moduli and low hysteresis under dynamic strain.

36 MATERIALS SCIENCE↗

Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications

Molecular Dynamics (MD) simulations are used to understand the effects of corrosion on metallic materials in salt brine. Reactive force fields in classical MD enable accurate modeling of bond formation and breakage in the aqueous medium and at the metal-electrolyte interface, while also facilitating dynamic partial charge equilibration. However, MD simulations are computationally intensive and unsuitable for modeling the long time scales characteristic of corrosive phenomena. To address this, we develop reduced-order machine learning models that provide accurate and efficient predictions of charge density in corrosive environments. Specifically, we use Long Short-Term Memory (LSTM) networks to forecast charge density evolution based on atomic environments represented by Smooth Overlap of Atomic Positions (SOAP) descriptors. A physics-informed loss function enforces charge neutrality and electronegativity equivalence. The atomic charges predicted by the deep learning model trained on this work were obtained two orders of magnitude faster than those from molecular dynamics (MD) simulations, with an error of less than 3% compared to the MD-obtained charges, even in extrapolative scenarios, while adhering to physical constraints. This demonstrates the excellent accuracy, computational efficiency, and validity of the developed model. Lastly, even though developed for corrosion, these protocols are formulated in a phenomenon-agnostic manner, allowing application to various variable-charge interatomic potentials and related fields.

Atomistic models↗

Equivalent Area Targets for Inverse Design Optimization With Changing Low-Boom Cruise Conditions

This paper provides theoretical and numerical justifications for inverse design optimization of reversed equivalent area (A e,r ) of low-boom supersonic aircraft when the cruise condition changes during the optimization iterations. A modified linear theory for steady flow around a supersonic projectile is used to establish the accuracy of A e,r -based body-of-revolution approximation of a low-boom supersonic aircraft for undertrack sonic boom analysis using computational fluid dynamics off-body pressure. As a result, designing a low-boom shape of the off-body pressure at three body lengths below the aircraft is equivalent to designing a low-boom A e,r shape. A Bezier curve with eight control points is used to define an A e,r target for inverse design optimization of A e,r of a supersonic aircraft. To make an A e,r target matchable by a low-boom supersonic aircraft, the A e,r target must have the minimal perceived level of decibels (PLdB) for sonic boom and satisfy two constraints defined by the cruise condition, effective length, and two nondimensional parameters. Numerical results are used to verify that, for different cruise conditions, all optimized A e,r targets with PLdB below 70 can be approximately generated by scaling one of them if the targets have the same nondimensional parameters and approximately the same effective length.

multidisciplinary optimization↗

Results of a space shuttle pulme impingement investigation at stage separation in the NASA-MSFC impulse base flow facility

Results are presented for an experimental space shuttle stage separation plume impingement program conducted in the NASA-Marshall Space Flight Center's impulse base flow facility (IBFF). Major objectives of the investigation were to: (1)determine the degree of dual engine exhaust plume simulation obtained using the equivalent engine; (2) determine the applicability of the analytical techniques; and (3) obtain data applicable for use in full-scale studies. The IBFF tests determined the orbiter rocket motor plume impingement loads, both pressure and heating, on a 3 percent General Dynamics B-15B booster configuration in a quiescent environment simulating a nominal staging altitude of 73.2 km (240,00 ft). The data included plume surveys of two 3 percent scale orbiter nozzles, and a 4.242 percent scaled equivalent nozzle - equivalent in the sense that it was designed to have the same nozzle-throat-to-area ratio as the two 3 percent nozzles and, within the tolerances assigned for machining the hardware, this was accomplished.

Mccanna, R. W.↗

Quantum field theory, worldline theory, and spin magnitude change in orbital evolution

A previous paper [Z. Bern et al., Binary dynamics through the fifth power of spin at 𝑂⁡(𝐺 2 ), Phys. Rev. Lett. 130, 201402 (2023)] identified a puzzle stemming from the amplitudes-based approach to spinning bodies in general relativity: additional Wilson coefficients appear compared to current worldline approaches to conservative dynamics of generic astrophysical objects, including neutron stars. In this paper we clarify the nature of analogous Wilson coefficients in the simpler theory of electrodynamics. We analyze the original field-theory construction, identifying definite-spin states some of which have negative norms, and relating the additional Wilson coefficients in the classical theory to transitions between different quantum spin states. We produce a new version of the theory which also has additional Wilson coefficients, but no negative-norm states. We match, through 𝒪⁡(𝛼 2 ) and 𝒪⁡(𝑆 2 ), the Compton amplitudes of these field theories with those of a modified worldline theory with extra degrees of freedom introduced by releasing the spin supplementary condition. We build an effective two-body Hamiltonian that matches the impulse and spin kick of the modified field theory and of the worldline theory, displaying additional Wilson coefficients compared to standard worldline approaches. The results are then compactly expressed in terms of an eikonal formula. Our key conclusion is that, contrary to standard approaches, while the magnitude of the spin tensor is still conserved, the magnitude of the spin vector can change under conserved Hamiltonian dynamics and this change is governed by the additional Wilson coefficients. For specific values of Wilson coefficients the results are equivalent to those from a definite spin obeying the spin supplementary condition, but for generic values they are physically inequivalent. These results warrant detailed studies of the corresponding issues in general relativity.

classical black holes↗

Analysis of Transformer Magnetizing Reactance Using Describing Function in Direct Power Control of Back-to-Back Modular Multilevel Converter with Advanced Grid Support

This paper presents a Port Controlled Hamiltonian based direct power control architecture for a back-to-back modular multilevel converter system connecting two ac sources at different frequencies. The system features advanced grid support functionalities based on IEEE 1547-2018, implemented on the inverter side. The rectifier side controller ensures reference following for active and/or reactive powers and maintains the commanded dc bus voltage. The inverter side controller ensures power command following for active and reactive powers.The proposed control architecture is designed to suppress second harmonic oscillations in powers during unbalanced grid voltage sags by dynamically adjusting the currents on each ac side. This also ensures effective elimination of any second harmonic oscillations in the equivalent dc bus voltage. Validation is performed on an OPAL-RT real-time platform with case studies on unbalanced and balanced sags, demonstrating the controller's effectiveness during real time implementation. A reduced-scale laboratory prototype further verifies these case studies, with experimental results for balanced sags due to grid simulator limitations. The results confirm the robustness and efficiency of the proposed control strategy in ensuring stable and reliable operation under various grid conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Characterization of Flex-Fuel Prechamber Enabled Mixing-Controlled Combustion With Gasoline/Ethanol Blends at High Load

This numerical study focuses on the characterization of prechamber-enabled mixing-controlled combustion (PC-MCC) at ~18 bar brake mean effective pressure (BMEP) and 2200 rpm with 10% by volume ethanol-gasoline blend (E10) and pure ethanol (E100). Computational fluid dynamic (CFD) simulations of a stock and prechamber retrofitted single-cylinder Caterpillar C9.3B are carried out using CONVERGE. Prechamber equivalence ratio at spark timing, prechamber spark timing advance, and main chamber injection strategy are assessed with respect to their impact on ignition assistance performance and emissions characteristics relative to a diesel baseline at the same boundary conditions. Simulation results indicate that PC-MCC is flex-fuel capable and operates well for both E10 and E100 at the operating conditions considered. The results demonstrate that the use of a pilot-main injection strategy enables spark timing in the prechamber to be advanced and thus reduces spark plug firing pressure while maintaining robust ignition assistance. Results also indicate that the rich prechamber operation is favored for improved ignition assistance capabilities. Furthermore, the findings of this work suggest that a heavy-duty vehicle using a PC-MCC engine can utilize any blend of gasoline and ethanol, up to including pure ethanol, with no major sacrifices in performance relative to the diesel engine.

33 ADVANCED PROPULSION SYSTEMS↗

Efficient dynamic optimization of logic programs

A summary is given of the dynamic optimization approach to speed up learning for logic programs. The problem is to restructure a recursive program into an equivalent program whose expected performance is optimal for an unknown but fixed population of problem instances. We define the term 'optimal' relative to the source of input instances and sketch an algorithm that can come within a logarithmic factor of optimal with high probability. Finally, we show that finding high-utility unfolding operations (such as EBG) can be reduced to clause reordering.

Laird, Phil↗

Support for Diagnosis of Custom Computer Hardware

The Coldfire SDN Diagnostics software is a flexible means of exercising, testing, and debugging custom computer hardware. The software is a set of routines that, collectively, serve as a common software interface through which one can gain access to various parts of the hardware under test and/or cause the hardware to perform various functions. The routines can be used to construct tests to exercise, and verify the operation of, various processors and hardware interfaces. More specifically, the software can be used to gain access to memory, to execute timer delays, to configure interrupts, and configure processor cache, floating-point, and direct-memory-access units. The software is designed to be used on diverse NASA projects, and can be customized for use with different processors and interfaces. The routines are supported, regardless of the architecture of a processor that one seeks to diagnose. The present version of the software is configured for Coldfire processors on the Subsystem Data Node processor boards of the Solar Dynamics Observatory. There is also support for the software with respect to Mongoose V, RAD750, and PPC405 processors or their equivalents.

Molock, Dwaine S.↗

Using CFD Surface Solutions to Shape Sonic Boom Signatures Propagated from Off-Body Pressure

The conceptual design of a low-boom and low-drag supersonic aircraft remains a challenge despite significant progress in recent years. Inverse design using reversed equivalent area and adjoint methods have been demonstrated to be effective in shaping the ground signature propagated from computational fluid dynamics (CFD) off-body pressure distributions. However, there is still a need to reduce the computational cost in the early stages of design to obtain a baseline that is feasible for low-boom shaping, and in the search for a robust low-boom design over the entire sonic boom footprint. The proposed design method addresses the need to reduce the computational cost for robust low-boom design by using surface pressure distributions from CFD solutions to shape sonic boom ground signatures propagated from CFD off-body pressure.

Ordaz, Irian↗

High-Efficiency, Low-Cost III-V Solar Cells by Dynamic Hydride Vapor Phase Epitaxy Coupled with Rapid, Polishing-Free Wafer Reuse through Orientation-Optimized (110) Spalling

We demonstrated (110) GaAs solar cells grown by D-HVPE with equivalent performance and material quality relative to (100) devices. Also, we developed a procedure for repeatable wafer-scale spalling of (110) GaAs. Spalled surfaces were free of the facets founds in (100) GaAs spalling, the large arrest lines found in (100) Ge spalling, and surface features greater than 3 µm in peak-to-valley height, which can otherwise degrade the efficiency of regrown III-V devices. A sub-µm step-terrace morphology was discovered on the post-spall wafer surface, resulting from the restricted cleavage system of GaAs, but we developed understanding of the factors that determine the resulting morphology, enabling ample opportunity for optimization of morphologies suitable for device growth and spall depth waste minimization on (110) GaAs. Lastly, we demonstrated a device grown on a previously spalled surface with only 8% relative efficiency difference to a cell grown on a new unspalled wafer. Significant optimization of the substrate regrowth conditions are required to enable higher efficiency, but these results highlight the promise of (110)-oriented devices coupled with substrate reuse by spalling as a pathway for low-cost III-V photovoltaics.

14 SOLAR ENERGY↗

Understanding curing dynamics of arylacetylene and phthalonitrile thermoset blends

Tetrakis(phenylethynyl)benzene (TPEB), a high char yield arylacetylene resin, was blended with a resorcinol-based PEEK™-like oligomeric phthalonitrile resin (Res). Here, we observed the influence of each polymer precursor on the structural changes and material dynamics of different mixtures of these resins during thermal curing to produce thermosets with high char retention. We provide insight to help understand fundamental processes that control and tune this complex thermally driven curing mechanism, which, to date, has not been well understood. We show that an equivalent blend of Res and TPEB mitigates the exothermic curing process and exhibits a low viscosity, which may facilitate processing of these thermosetting blends for composite manufacturing. To obtain a more comprehensive overview of the different dynamics of these polymers during curing, we correlated thermodynamic changes with rheology, materials characterization, and molecular dynamics derived from neutron scattering. Our efforts shed more light on the thermally driven chemical changes, physical transformation, and gelation dynamics that drive or accompany softening and curing of these two distinct crosslinking resin groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Geometric decoherence time in Lindbladian dynamics

The onset of decoherence in open many-body systems lacks a dynamical timescale grounded in the loss of bipartite entanglement. Here, we introduce the geometric decoherence time, defined as the earliest moment the monotone relation between logarithmic negativity and Rényi-$\frac{1}{2}$ entropy—exactly equal across any bipartition for pure states—breaks down under open-system evolution, signaling entropy growth without accompanying entanglement growth. We establish this criterion in both single-particle Gaussian dynamics and many-body Lindbladian evolution. We show that quantum mutual information provides a complementary long-time diagnostic: Its asymptotic vanishing is equivalent to factorization of the steady state across the bipartition, a condition strictly stronger than separability, and whenever a product steady state is approached exponentially in trace norm, negativity and mutual information share the same decay rate. In the presence of a strong symmetry, this tracking can fail—residual classical correlations can survive after entanglement has vanished. In the Kitaev chain with balanced gain and loss, we derive a closed-form solution and show that the topological phase sustains longer coherence times than the trivial phase at identical dissipation, with a local minimum at the chiral-symmetric point. In the interacting XXZ chain, exact many-body evolution shows that local 𝑍 dephasing preserves residual classical correlations, whereas gain and loss restore the mutual-information tracking of negativity. Furthermore, our results establish the geometric decoherence time as a dynamical scale tracking the onset of decoherence.

74 ATOMIC AND MOLECULAR PHYSICS↗

Command of active and responsive elastomers by topological defects and patterns

The project resulted in the development of stimuli-responsive elastomer coatings formed by photopolymerized liquid crystal molecules. The molecular orientation of the liquid crystal elastomers is coupled to rubber-like elasticity. The project developed an approach to produce complex patterns of molecular orientation in elastomers by employing photopatterning technique based on plasmonic metamasks that convert unpolarized incoming light into a transmitted light beam with spatially-varying linear polarization. The polarization-modulated light beam aligns the film of azodye molecules, which serves as the substrate for liquid crystal elastomer coating. The alignment of the azodye molecules follows the polarization pattern with a phase shift of the alignment direction by 90 degrees. The azodye substrate imposes orientation of molecules in the adjacent liquid crystal layer which is preserved after the monomers are polymerized into a liquid crystal elastomer. By using differently aligned substrates one could produce various patterns of molecular orientation in the elastomer, which dictate the mechanical properties of the elastomers and their response to external stimuli such as temperature, humidity, and ultraviolet irradiation. In particular, the predesigned molecular orientation produces deterministically defined topography response of the liquid crystal coatings, in which their free surface changes from flat to either locally elevated or locally compressed, depending on whether the pre-inscribed molecular orientation is predesigned with a splay or bend deformation. The research established that the mechanism of this deterministic relation between the dynamic topography and pre-inscribed molecular orientation is rooted in the change of the tensorial order parameter that characterizes the degree of orientational order, and in the contraction/expansion of polymer molecules in response to the order parameter changes. In particular, lowering the order causes contraction of polymer globules. The work demonstrated that the dynamic topography of elastomer coatings with three-dimensional pattern of orientational order includes up and down motion of the material (along the normal to the coating) and also shifts in lateral directions. We demonstrate that the deterministic relationship between the orientational patterns and variations of coatings’ profile is caused by forces that are mathematically equivalent to active forces in the system of “pullers” or “pushers” in active matter, demonstrating universality of the out-of-equilibrium behavior. The project resulted in theoretical models that predictively describe the dynamic response of coatings. The topography of liquid crystal elastomers is sensitive to stimuli such as temperature, ultraviolet irradiation, and humidity. The applicability of the patterned approach to produce dynamic coatings was expanded from nematic elastomers to their smectic counterparts. The project combined a battery of imaging techniques to unveil the dynamic properties of the coatings, ranging from the state-of-the-art dynamic holographic microscopy to fluorescent confocal polarizing microscopy and polscope microscopy. The research uncovered potential applications of dynamic elastomer coatings, such as control placement of colloidal particles, engineering of living tissues with alignment patterns of cells that follow the orientational order of elastomer coatings. The approach developed in the project can be used to design programmable dynamic coatings with functionalities that mimic biological tissues such as skin.

36 MATERIALS SCIENCE↗

Average nonlinear dynamics of particles in gravitational pulses: Effective Hamiltonian, secular acceleration, and gravitational susceptibility

Particles interacting with a prescribed quasimonochromatic gravitational wave (GW) exhibit secular (average) nonlinear dynamics that can be described by Hamilton’s equations. We derive the Hamiltonian of this “ponderomotive” dynamics to the second order in the GW amplitude for a general background metric. For the special case of vacuum GWs, we show that our Hamiltonian is equivalent to that of a free particle in an effective metric, which we calculate explicitly. We also show that already a linear GW pulse displaces a particle from its unperturbed trajectory by a finite distance that is independent of the GW phase and proportional to the integral of the pulse intensity.This effect is independent from the nonlinear memory effects that has been known. We calculate the particle displacement analytically and show that our result is in agreement with numerical simulations. We also show how the Hamiltonian of the nonlinear averaged dynamics naturally leads to the concept of the linear gravitational susceptibility of a particle gas with an arbitrary phase-space distribution. We calculate this susceptibility explicitly to apply it, in a follow-up paper, toward studying self-consistent GWs in inhomogeneous media within the geometrical-optics approximation

79 ASTRONOMY AND ASTROPHYSICS↗

Power modeling of degraded PV systems: Case studies using a dynamically updated physical model (PV-Pro)

Power modeling, widely applied for health monitoring and power prediction, is crucial for the efficiency and reliability of Photovoltaic (PV) systems. The most common approach for power modeling uses a physical equivalent circuit model, with the core challenge being the estimation of model parameters. Traditional parameter estimation either relies on datasheet information, which does not reflect the system's current health status, especially for degraded PV systems, or requires additional I-V characterization, which is generally unavailable for large-scale PV systems. Thus, we build upon our previously developed tool, PV-Pro (originally proposed for degradation analysis), to enhance its application for power modeling of degraded PV systems. PV-Pro extracts model parameters from production data without requiring I-V characterization. This dynamic model, periodically updated, can closely capture the actual degradation status, enabling precise power modeling. PV-Pro is compared with popular power modeling techniques, including persistence, nominal physical, and various machine learning models. The results indicate that PV-Pro achieves outstanding power modeling performance, with an average nMAE of 1.4 % across four field-degraded PV systems, reducing error by 17.6 % compared to the best alternative technique. Furthermore, PV-Pro demonstrates robustness across different seasons and severities of degradation. The tool is available as a Python package at https://github.com/DuraMAT/pvpro.

14 SOLAR ENERGY↗

Dynamic Analysis of a Building Under Rocket Engine Plume Acoustic Load

Studies have been performed to develop finite-element modeling and simulation techniques to predict the dynamic structural response of Building 4010 to the acoustic load from the plume of high-thrust rocket motors. The building is the Test Control Center and general office space for the E-complex at Stennis Space Center. It is a large single span; light-structured building located approximately 1,000 feet from the E-1 test stand. A three-dimensional shell/beam combined model of the building was built using Pro/Engineer platform and imported into Pro/Mechanica for analysis. An Equivalent Shell technique was developed to simplify the highly complex building structure so that the calculation is more efficient and accurate. A deterministic approach was used for the dynamic analysis. A pre-stressed modal analysis was performed to simulate the weight stiffening of the structure, through which about 200 modes ranging from 0 to 35 Hz were identified. In an initial dynamic frequency analysis, the maximum response over the model was found. Then the complete 3-D distributions of the displacement, as well as the stresses, were calculated through a final frequency analysis. The results were compared to a strain gage and accelerometer recordings from rocket engine tests and showed reasonable agreement.

Qian, Z.↗