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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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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optimal Spatial Separation of High-Order Harmonics from Infrared Driving Lasers with an Annular Beam in the Overdriven Regime

We study high-order harmonic generation (HHG) with an annularly shaped high-power, high-repetition-rate laser. In this work we investigate how the spatial separation (or divergence) of the incident laser and the generated high-order harmonics depends on the gas pressure when the laser intensity is in the overdriven regime. It is shown that, when the cone size of the incident annular beam is relatively large, the resulting harmonics are highly collimated along the propagation axis and are spatially separated from the incident beam. Under the overdriven condition, dynamic phase matching favors HHG emissions from short-trajectory electrons that are efficiently built up in the second half of the gas medium. We verify that using an annular beam is a simple and effective method for separating the intense incident infrared laser from the generated high harmonics. Such high-flux and low-divergence light pulses are expected to be powerful sources in the laboratory for ultrafast probing of electron dynamics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Laning and clustering transitions in driven binary active matter systems

It is well known that a binary system of nonactive disks that experience driving in opposite directions exhibits jammed, phase separated, disordered, and laning states. In active matter systems, such as a crowd of pedestrians, driving in opposite directions is common and relevant, especially in conditions which are characterized by high pedestrian density and emergency. In such cases, the transition from laning to disordered states may be associated with the onset of a panic state. In this study, we simulate a laning system containing active disks that obey run-and-tumble dynamics, and we measure the drift mobility and structure as a function of run length, disk density, and drift force. The activity of each disk can be quantified based on the correlation timescale of the velocity vector. We find that in some cases, increasing the activity can increase the system mobility by breaking up jammed configurations; however, an activity level that is too high can reduce the mobility by increasing the probability of disk-disk collisions. In the laning state, the increase of activity induces a sharp transition to a disordered strongly fluctuating state with reduced mobility. We identify a novel drive-induced clustered laning state that remains stable even at densities below the activity-induced clustering transition of the undriven system. Lastly, we map out the dynamic phase diagrams highlighting transitions between the different phases as a function of activity, drive, and density.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A 3D phase field dislocation dynamics model for body-centered cubic crystals

In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the dislocation. Simulations of the expansion of a dislocation loop belonging to {110} < 111 > the slip system are presented with direct comparison to Molecular Statics (MS) simulations. The extended PFDD model is able to capture the salient features of dislocation loop expansion predicted by MS simulations. In conclusion, the model is also applied to simulate the motion of a straight screw dislocation through kink-pair motion.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Upper critical solution temperature polymer assemblies via variable temperature liquid phase transmission electron microscopy and liquid resonant soft X-ray scattering

Abstract Here, we study the upper critical solution temperature triggered phase transition of thermally responsive poly(ethylene glycol)- block -poly(ethylene glycol) methyl ether acrylate- co -poly(ethylene glycol) phenyl ether acrylate- block -polystyrene nanoassemblies in isopropanol. To gain mechanistic insight into the organic solution-phase dynamics of the upper critical solution temperature polymer, we leverage variable temperature liquid-cell transmission electron microscopy correlated with variable temperature liquid resonant soft X-ray scattering. Heating above the upper critical solution temperature triggers a reduction in particle size and a morphological transition from a spherical core shell particle with a complex, multiphase core to a micelle with a uniform core and Gaussian polymer chains attached to the surface. These correlated solution phase methods, coupled with mass spectral validation and modeling, provide unique insight into these thermoresponsive materials. Moreover, we detail a generalizable workflow for studying complex, solution-phase nanomaterials via correlative methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Utilizing the deuterium-tritium fusion resonance to diagnose thermal runaway in igniting plasmas

For high-efficiency inertial confinement fusion implosions, it is predicted that a burning hot spot will successfully encompass all surrounding fuel and then transition into a thermal runaway where the internal energy increase from fusion occurs on a timescale faster than the expansion of the fuel is able to quench the fusion chain reaction after ignition occurs. Observation of this dynamic phase transition would indicate distinct burn properties and indicate an implosion's robustness. A technique for diagnosing the presence of thermal runaway from measurements of nuclear reaction history is presented. The technique is based on taking the logarithmic derivative of the nuclear reaction history, called the 𝛼 curve, and allowing a mathematical decoupling of the mass, volume, and thermal reactivity in the fusion reaction rate equation. During thermal runaway, where the thermal temperature dominates the burn dynamics, a maximum in the 𝛼 curve is found where there is a maximum in the first derivative of the thermal fusion reactivity, an effect to the deuterium-tritium (DT) fusion cross-section resonance. This provides a distinct signature related to the fundamental nature of the DT fusion nuclear resonance and signifies the transition into the fusion thermal instability. Impacts of charged particle transport on the effect are also assessed and the analytical formulas are compared and found to be in agreement with radiation hydrodynamic codes.

high-energy-density plasmas↗
DOE OSTI2023

Data-driven modeling and control of an X-ray bimorph adaptive mirror

Adaptive X-ray mirrors are being adopted on high-coherent-flux synchrotron and X-ray free-electron laser beamlines where dynamic phase control and aberration compensation are necessary to preserve wavefront quality from source to sample, yet challenging to achieve. Additional difficulties arise from the inability to continuously probe the wavefront in this context, which demands methods of control that require little to no feedback. In this work, a data-driven approach to the control of adaptive X-ray optics with piezo-bimorph actuators is demonstrated. This approach approximates the non-linear system dynamics with a discrete-time model using random mirror shapes and interferometric measurements as training data. For mirrors of this type, prior states and voltage inputs affect the shape-change trajectory, and therefore must be included in the model. Without the need for assumed physical models of the mirror's behavior, the generality of the neural network structure accommodates drift, creep and hysteresis, and enables a control algorithm that achieves shape control and stability below 2 nm RMS. Using a prototype mirror and ex situ metrology, it is shown that the accuracy of our trained model enables open-loop shape control across a diverse set of states and that the control algorithm achieves shape error magnitudes that fall within diffraction-limited performance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1980

Fragmentation of rotating protostellar clouds

With a three-dimensional hydrodynamic computer code, the behavior of rotating, isothermal gas clouds as they collapse from Jeans unstable configurations is examined in order to determine whether they are susceptible to fragmentation during the initial dynamic collapse phase of evolution. It is found that a gas cloud will not fragment unless (1) it begins collapsing from a radius much smaller than the Jeans radius (i.e., the cloud initially encloses many Jeans masses) and (2) irregularities in the cloud's initial structure (specifically, density inhomogeneities) enclose more than one Jeans mass of material. Instead of fragmenting, most of the models collapse to a ring configuration. The rings appear to be less susceptible to fragmentation from arbitrary perturbations in their structure than has previously been indicated in other work. Because the models, which include the effects of gas pressure, do not readily fragment during a phase of dynamic collapse, it is suggested that gas clouds in the galactic disk undergo fragmentation only during quasi-equilibrium phases of their evolution.

Tohline, J. E.↗
DOE OSTI2026

Phase field dislocation dynamics formulation coupled with Fourier based micromechanics solver and its application to grain boundary–dislocation interactions

A new phase field dislocation dynamics (PFDD) formulation for homogeneous and heterogeneous materials is presented, which couples micromechanical solvers and the time-dependent Ginzburg–Landau equation. The strain fields are obtained from the micromechanical solver by solving the Lippmann–Schwinger equation and then used to define energy terms to model the evolution of the dislocations. Grain boundary (GB)–dislocation interactions are studied using the coupled PFDD formulation and by describing GBs as inclusions. GB energy and stiffness tensors are computed from molecular statics simulations, and a newly proposed lattice energy term that is dependent on the GB energy is considered in the calculations. Interaction of a screw dislocation with minimum energy and metastable states of low and high angle ⟨110⟩ symmetric tilt grain boundaries are studied. We show good agreement between predictions from our PFDD formulation and molecular dynamics simulations of grain boundary–dislocation interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Linear permittivity tapering in a Cerenkov microwave source with a pre-bunched beam

Cerenkov microwave sources use a dielectric-lined waveguide to reduce the velocity of the electromagnetic wave and provide efficient energy transfer between the wave and the driving electron beam. Tapering the permittivity of the dielectric to maintain synchronism between the beam and the wave as the beam loses energy can increase the efficiency of these devices. Here, we consider such a structure driven by an electron beam with a harmonic density perturbation. Particle-In-Cell (PIC) simulations and a macro-particle model based on the slowly varying envelope approximation are first used to examine an un-tapered baseline case. PIC simulations of the source with linear tapers over the entire amplifier length as well as over only a section of the amplifier where the beam executes synchrotron oscillations are examined. The efficiency for the baseline un-tapered source is 18%, while efficiencies up to approximately 48% are found using a taper in dielectric permittivity. Results of the best performing cases are presented. Detailed examination of longitudinal phase space, particle energy distributions, evolution of longitudinal wavenumber, and phase dynamics are presented from the PIC simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations

We introduce a variational algorithm to estimate the likelihood of a rare event within a nonequilibrium molecular dynamics simulation through the evaluation of an optimal control force. Optimization of a control force within a chosen basis is made possible by explicit forms for the gradients of a cost function in terms of the susceptibility of driven trajectories to changes in variational parameters. We consider probabilities of time-integrated dynamical observables as characterized by their large deviation functions and find that in many cases, the variational estimate is quantitatively accurate. Additionally, we provide expressions to exactly correct the variational estimate that can be evaluated directly. We benchmark this algorithm against the numerically exact solution of a model of a driven particle in a periodic potential, where the control force can be represented with a complete basis. Additionally, we then demonstrate the utility of the algorithm in a model of repulsive particles on a line, which undergo a dynamical phase transition, resulting in singular changes to the form of the optimal control force. In both systems, we find fast convergence and are able to evaluate large deviation functions with significant increases in statistical efficiency over alternative Monte Carlo approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Evaluation of Mid-Size Male Hybrid III Models for use in Spaceflight Occupant Protection Analysis

In an effort to improve occupant safety during dynamic phases of spaceflight, the National Aeronautics and Space Administration (NASA) has worked to develop occupant protection standards for future crewed spacecraft. One key aspect of these standards is the identification of injury mechanisms through anthropometric test devices (ATDs). Within this analysis, both physical and computational ATD evaluations are required to reasonably encompass the vast range of loading conditions any spaceflight crew may encounter. In this study the accuracy of publically available mid-size male HIII ATD finite element (FE) models are evaluated within applicable loading conditions against extensive sled testing performed on their physical counterparts. Methods: A series of sled tests were performed at the Wright Patterson Air force Base (WPAFB) employing variations of magnitude, duration, and impact direction to encompass the dynamic loading range for expected spaceflight. FE simulations were developed to the specifications of the test setup and driven using measured acceleration profiles. Both fast and detailed FE models of the mid-size male HIII were ran to quantify differences in their accuracy and thus assess the applicability of each within this field. Results: Preliminary results identify the dependence of model accuracy on loading direction, magnitude, and rate. Additionally the accuracy of individual response metrics are shown to vary across each model within evaluated test conditions. Causes for model inaccuracy are identified based on the observed relationships. Discussion: Computational modeling provides an essential component to ATD injury metric evaluation used to ensure the safety of future spaceflight occupants. The assessment of current ATD models lays the groundwork for how these models can be used appropriately in the future. Identification of limitations and possible paths for improvement aid in the development of these effective analysis tools.

Putnam, Jacob B.↗
NASA NTRS2016

Evaluation of Mid-Size Male Hybrid III Models for use in Spaceflight Occupant Protection Analysis

Introduction: In an effort to improve occupant safety during dynamic phases of spaceflight, the National Aeronautics and Space Administration (NASA) has worked to develop occupant protection standards for future crewed spacecraft. One key aspect of these standards is the identification of injury mechanisms through anthropometric test devices (ATDs). Within this analysis, both physical and computational ATD evaluations are required to reasonably encompass the vast range of loading conditions any spaceflight crew may encounter. In this study the accuracy of publically available mid-size male HIII ATD finite element (FE) models are evaluated within applicable loading conditions against extensive sled testing performed on their physical counterparts. Methods: A series of sled tests were performed at the Wright Patterson Air force Base (WPAFB) employing variations of magnitude, duration, and impact direction to encompass the dynamic loading range for expected spaceflight. FE simulations were developed to the specifications of the test setup and driven using measured acceleration profiles. Both fast and detailed FE models of the mid-size male HIII were ran to quantify differences in their accuracy and thus assess the applicability of each within this field. Results: Preliminary results identify the dependence of model accuracy on loading direction, magnitude, and rate. Additionally the accuracy of individual response metrics are shown to vary across each model within evaluated test conditions. Causes for model inaccuracy are identified based on the observed relationships. Discussion: Computational modeling provides an essential component to ATD injury metric evaluation used to ensure the safety of future spaceflight occupants. The assessment of current ATD models lays the groundwork for how these models can be used appropriately in the future. Identification of limitations and possible paths for improvement aid in the development of these effective analysis tools.

Putnam, J.↗
DOE OSTI2015

Anisotropy of the solid–liquid interface properties of the Ni–Zr B33 phase from molecular dynamics simulation

Solid–liquid interface (SLI) properties of the Ni–Zr B33 phase were determined from molecular dynamics simulations. In order to perform these measurements, a new semi-empirical potential for Ni–Zr alloy was developed that well reproduces the material properties required to model SLIs in the Ni 50.0 Zr 50.0 alloy. In particular, the developed potential is shown to provide that the solid phase emerging from the liquid Ni 50.0 Zr 50.0 alloy is B33 (apart from a small fraction of point defects), in agreement with the experimental phase diagram. The SLI properties obtained using the developed potential exhibit an extraordinary degree of anisotropy. It is observed that anisotropies in both the interfacial free energy and mobility are an order of magnitude larger than those measured to date in any other metallic compound. Moreover, the [0 1 0] interface is shown to play a significant role in the observed anisotropy. Our data suggest that the [0 1 0] interface simultaneously corresponds to the lowest mobility, the lowest free energy and the highest stiffness of all inclinations in B33 Ni–Zr. This finding can be understood by taking into account a rather complicated crystal structure in this crystallographic direction.

36 MATERIALS SCIENCE↗
NASA NTRS2022

Apollo Crew Loads Data Mining

INTRODUCTION Human exposure data to dynamic loads in spaceflight are sparse not only because very few crewmembers have flown in space, but also because much of the historic data is no longer readily available. Earth and Moon landings of the Apollo missions are unique and valuable for understanding human tolerance in water landing conditions for both short-duration and long-duration crewmembers as well as informing crew tolerance in standing postures during planetary landings. The goal of this task was to find relevant Apollo data to better understand human tolerance in these scenarios, in order to apply this knowledge to future missions. METHODS The goal of this task was to recover time history data from dynamic phases of flight from crewed Apollo missions. The first phase of the task was to search available records at JSC and other centers to locate the appropriate records at the National Archives in Fort Worth, TX. Once the possible data locations were located, it was planned that one researcher would travel to the National Archives in Fort Worth, TX to collect the relevant Apollo data. Once the data was retrieved, they would be digitized for future use and evaluation, and archived within the Human Physiology, Performance, Protection, and Operations (H-3PO) laboratory within the Human Health and Performance Directorate. These data would be used to assess the feasibility and acceptability of current standards and vehicle design requirements for lunar and Mars missions. Additionally, any medical monitoring required, or physiological changes noted in crewmembers based on dynamic loads would be documented for future use. RESULTS Relevant records were found at Ft. Worth, TX and College Park, MD using the National Archives Online Catalog. In addition to the online catalog, an Archives staff member was able to share an additional inventory list of NASA JSC records held in Ft. Worth, TX. Due to COVID-19, NASA has only recently allowed non-mission essential travel. In addition, the National Archives has also been closed to the public since March 2020. Because of this, travel to the National Archives to search records there has not been possible. CONCLUSION The findings include collections at the National Archives at both Ft. Worth, TX and College Park, MD that could possibly hold the data we are looking for. Unfortunately, the descriptions of each collection are very broad. Though we are hopeful that relevant data is stored in one of these collections, we cannot be sure that we will find what we are looking for. At this time, it is not clear when the Archives will reopen to the public or when NASA will allow travel. Travel to the Archives has been postponed, and will be reassessed at a future date.

T Reiber↗
DOE OSTI2025

Dielectron production in central Pb-Pb collisions at $\sqrt{s_{NN}}$ = 5.02TeV

The first measurement of the 𝑒 + ⁢𝑒 − pair production at midrapidity and low invariant mass in central Pb-Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV at the Large Hadron Collider is presented. The yield of 𝑒 + ⁢𝑒 − pairs is compared with a cocktail of expected hadronic decay contributions in the invariant mass (𝑚𝑒⁢𝑒) and pair transverse momentum (𝑝 T,𝑒⁢𝑒 ) ranges 𝑚 𝑒⁢𝑒 < 3.5 GeV/𝑐 2 and 𝑝 T,𝑒⁢𝑒 < 8 GeV/𝑐. For 0.18 < 𝑚 𝑒⁢𝑒 < 0.5 GeV/𝑐 2 the ratio of data to the cocktail of hadronic contributions amounts to 1.40 ± 0.11⁢(stat.) ± 0.23 ⁢(syst.) ± 0.16⁢ (cocktail) and 1.42 ± 0.11⁢ (stat.) ± 0.23 (syst.)$^{+0.24}_{−0.29}$ ⁢(cocktail), including or not including medium effects in the estimation of the heavy-flavor background, respectively. It is consistent with predictions from two different models for an additional contribution of thermal 𝑒+⁢𝑒− pairs from the hadronic and partonic phases. In the intermediate-mass range (1.2 < 𝑚 𝑒⁢𝑒 < 2.6 GeV/𝑐 2 ), the pair transverse impact parameter of the 𝑒 + ⁢𝑒 − pairs (DCA𝑒⁢𝑒, where “DCA” denotes “distance of closest approach”) is used for the first time in Pb-Pb collisions to separate displaced dielectrons from heavy-flavor hadron decays from a possible (thermal) contribution produced at the interaction point. The data are consistent with a suppression of 𝑒 + ⁢𝑒 − pairs from $𝑐\bar{𝑐}$ and an additional prompt component. Finally, the first direct-photon measurement in the 10% most central Pb-Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV is reported via the study of virtual direct photons in the transverse momentum range 1 < 𝑝 T < 5 GeV/𝑐. A model including prompt photons, as well as photons from the preequilibrium and fluid-dynamic phases, can reproduce the result, while being at the upper edge of the data uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Phase Field Dislocation Dynamics (PFDD) version 2.x

This disclosure is for version 2.x of a mesoscale model called Phase Field Dislocation Dynamics (PFDD). PFDD is used for investigating deformation in nanoscale (grain sizes of ~300 nm and less) materials, such as metals and alloys. This approach models the motion and interaction of individual defects, namely dislocations, in the material using scalar-valued phase field variables, also called order parameters. The system is evolved through energy minimization thus the model calculates the total energy density in terms of the phase field variables. The energy minimization is completed using the Ginzburg-Landau equation, and is implemented with explicit time integration. The total system energy can be comprised of several terms, including the strain energy (which describes dislocation-dislocation interactions), the energy due to an applied stress (dislocation interactions with the applied stress), and a core/lattice (perfect dislocations) or generalized stacking fault (partial dislocations) energy (described the dislocation core structure). The latter term in particular may vary based on the crystal structure being modeled and is typically informed using lower length scale (e.g., atomistic) approaches, although no such (atomistic) calculations are completed within the PFDD algorithm. This basic formulation was previously reviewed by Los Alamos National Laboratory and released under license number C17113. This previously reviewed version we will henceforth refer to as PFDD v1.0. PFDD v1.0 consisted of 2 codes (one parallel and one serial) plus input files, all written in the C language. This new disclosure is addressing the next versions of the PFDD, versions 2.x. There have been several enhancements of PFDD v1.0, which are described here and included in the attached code, which we will refer to as PFDD v2.0. There are also several new features described here that are either planned or already in process and are expected to be subsequent releases, i.e., v2.1, v2.2, ...v2.x.

Hunter, Abigail↗