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At least 181 records · Page 10

All sources NASA NTRS DOE OSTI

DOE OSTI2018

Method for phase retrieval to reduce a sampling requirement when imaging a dynamic process

A method for retrieving phase information in a coherent diffraction imaging process includes acquiring a plurality of 3D data sets, each 3D data set corresponding to one of a plurality of time states, and reconstructing a 3D image of the object at a given time state using the 3D data set from all of the time states. Each 3D data set is acquired by: illuminating an object positioned in a first position with a coherent beam; measuring a first 2D diffraction pattern using an area detector; rotating the object around a tilt axis thereof to a second position that is different from the first position; re-illuminating the object positioned in the second position with the coherent beam; re-measuring a second 2D diffraction pattern using the area detector; and repeating the rotating, re-illuminating and re-measuring steps such that each 3D data set includes a predetermined number of diffraction patterns.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Probing the lattice structure of dynamically compressed and released single crystal iron through the alpha to epsilon phase transition

In this work, experiments using broadband Laue x-ray diffraction (XRD) were used to examine the lattice structure of dynamically compressed [100]-oriented single crystal iron samples at the Dynamic Compression Sector at the Advanced Photon Source. These experiments used 1 μm thick iron single crystal samples sandwiched between a polyimide ablator and a polycarbonate window. A 100 J, 10 ns duration laser pulse incident on the polyimide ablator was used to shock compress the iron samples to initial stresses greater than 25 GPa, exceeding the ~13 GPa alpha (body-centered-cubic or bcc structure) to epsilon (hexagonal-close-packed or hcp structure) phase transition stress. XRD measurements were performed at various times relative to the shock wave entering the iron sample: early times, <~150 ps while the initial shock waves propagated through the iron; intermediate times, after the iron equilibrated with the ablator and window reaching a plateau stress state (12 or 17 GPa) lasting several nanoseconds; and late times, during uniaxial strain release. The early time measurements show that in <~150 ps, the high-pressure hcp phase is relaxed with a c/a ratio of 1.61, contrary to previous laser shock experiments where a c/a ratio of 1.7 was inferred. In the plateau stress state and partially released states, XRD measurements showed that the hcp structure retained a c/a ratio of 1.61 with no observable changes in the microstructure. Upon stress release at ~1 GPa/ns release rate, the reverse phase transition (hcp to bcc) to the original single crystal orientation (implying a transformation memory effect) was observed to reach completion somewhere between 13 and 11 GPa, indicating little stress hysteresis under rapid uniaxial strain release. A similar memory effect for the reverse hcp to bcc transformation has been previously observed under hydrostatic compression. However, the bcc/hcp orientation relationships differ somewhat between dynamic and static compression experiments, implying that the transformation pathway under uniaxial dynamic strain differs from the Burgers mechanism.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Simultaneous imaging and diffraction in the dynamic diamond anvil cell

The ability to visualize a sample undergoing a pressure-induced phase transition allows for the determination of kinetic parameters, such as the nucleation and growth rates of the high-pressure phase. For samples that are opaque to visible light (such as metallic systems), it is necessary to rely on x-ray imaging methods for sample visualization. Here, we present an experimental platform developed at beamline P02.2 at the PETRA III synchrotron radiation source, which is capable of performing simultaneous x-ray imaging and diffraction of samples that are dynamically compressed in piezo-driven diamond anvil cells. This setup utilizes a partially coherent monochromatic x-ray beam to perform lensless phase contrast imaging, which can be carried out using either a parallel- or focused-beam configuration. The capabilities of this platform are illustrated by experiments on dynamically compressed Ga and Ar. Melting and solidification were identified based on the observation of solid/liquid phase boundaries in the x-ray images and corresponding changes in the x-ray diffraction patterns collected during the transition, with significant edge enhancement observed in the x-ray images collected using the focused-beam. These results highlight the suitability of this technique for a variety of purposes, including melt curve determination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Frames induced by the action of continuous powers of an operator

We investigate systems of the form {A t g : g ϵ $\mathcal{G}$, t ϵ [0, L]} where A ϵ $\mathcal{B}$($\mathcal{H}$) is a normal operator in a separable Hilbert space $\mathcal{H}$, $\mathcal{G}$ c $\mathcal{H}$ is a countable set, and L is a positive real number. While the main goal of this work is to study the frame properties of {A t g : g ϵ $\mathcal{G}$, t ϵ [0, L]}, as intermediate steps, we investigate the completeness and Bessel properties of such systems from a theoretical perspective, which are of interest by themselves. Beside the theoretical appeal of investigating such systems, their connections to dynamical and mobile sampling make them fundamental for understanding and solving several major problems in engineering and science.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2009

Blended-Wing-Body Low-Speed Flight Dynamics: Summary of Ground Tests and Sample Results

A series of low-speed wind tunnel tests of a Blended-Wing-Body tri-jet configuration to evaluate the low-speed static and dynamic stability and control characteristics over the full envelope of angle of attack and sideslip are summarized. These data were collected for use in simulation studies of the edge-of-the-envelope and potential out-of-control flight characteristics. Some selected results with lessons learned are presented.

Vicroy, Dan D.↗

DOE OSTI2023

In Vitro Thrombogenicity Testing of Biomaterials in a Dynamic Flow Loop: Effects of Length and Quantity of Test Samples

Abstract The results of in vitro dynamic thrombogenicity testing of biomaterials and medical devices can be significantly impacted by test conditions. To develop and standardize a robust dynamic in vitro thrombogenicity tool, the key test parameters need to be appropriately evaluated and optimized. We used a flow loop test system previously developed in our laboratory to investigate the effects of sample length and the number of samples per test loop on the thrombogenicity results. Porcine blood heparinized to a donor-specific target concentration was recirculated at room temperature through polyvinyl chloride (PVC) tubing loops containing test materials for 1 h at 200 mL/min. Four test materials (polytetrafluoroethylene (PTFE), latex, PVC, and silicone) with various thrombotic potentials in two sample lengths (12 and 18 cm) were examined. For the 12-cm long materials, two different test configurations (one and two samples per loop) were compared. Thrombogenicity was assessed through percent thrombus surface coverage, thrombus weight, and platelet count reduction in the blood. The test system was able to effectively differentiate the thrombogenicity profile of the materials (latex > silicone > PVC ≥ PTFE) at all test configurations. Increasing test sample length by 50% did not significantly impact the test results as both 12 and 18 cm sample lengths were shown to equally differentiate thrombotic potentials between the materials. The addition of a second test sample to each loop did not increase the test sensitivity and may produce confounding results, and thus a single test sample per loop is recommended.

Engineering↗

DOE OSTI2017

A two-stage stochastic optimization model for scheduling electric vehicle charging loads to relieve distribution-system constraints

Electric vehicles (EVs) hold promise to improve the energy efficiency and environmental impacts of transportation. However, widespread EV use can impose significant stress on electricity-distribution systems due to their added charging loads. This paper proposes a centralized EV charging-control model, which schedules the charging of EVs that have flexibility. This flexibility stems from EVs that are parked at the charging station for a longer duration of time than is needed to fully recharge the battery. The model is formulated as a two-stage stochastic optimization problem. The model captures the use of distributed energy resources and uncertainties around EV arrival times and charging demands upon arrival, non-EV loads on the distribution system, energy prices, and availability of energy from the distributed energy resources. We use a Monte Carlo-based sample-average approximation technique and an L-shaped method to solve the resulting optimization problem efficiently. We also apply a sequential sampling technique to dynamically determine the optimal size of the randomly sampled scenario tree to give a solution with a desired quality at minimal computational cost. Here, we demonstrate the use of our model on a Central-Ohio-based case study. We show the benefits of the model in reducing charging costs, negative impacts on the distribution system, and unserved EV-charging demand compared to simpler heuristics. Lastly, we also conduct sensitivity analyses, to show how the model performs and the resulting costs and load profiles when the design of the station or EV-usage parameters are changed.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Optimizing Sub-Sampled STEM Imaging for Beam Sensitive Materials and Dynamic Processes

The goal of this research is to quantify how sub-sampling and inpainting (broadly classified as methods in Artificial Intelligence) can be used to obtain the highest resolution images under any experimental conditions, and to use this to reproducibly control dynamic in-situ processes in gases and liquids on the nanoscale. As atomic diffusion under non-extreme conditions is typically in the sub-ms time domain, the ability to use this sub-sampling approach to reduce the effect of the electron beam and to speed-up the imaging process represents the optimum combination of spatial and temporal resolution achievable in a conventional microscope. This LDRD funding demonstrated the feasibility of imaging dynamics in complex energy systems using this methodology by establishing the optimum experimental sampling conditions (optimizing the number of pixels, speed, contrast and resolution) for each experiment. For in-situ liquid cell experiments this analysis shows that simply by distributing the same dose and dose rate maximally in space and time, the kinetics for radiolysis products can be modified significantly. The final stage of this work, i.e. the experimental demonstration of its use for nucleation and growth, was severely curtailed by issues with COVID19. However, all the experiments are designed and currently underway, with the goal to complete the final demonstration and publication as soon as safety concerns for laboratory access are met.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Determination of Stress-Free Lattice Spacing (D₀) for Residual Stress Relaxation Measurement in Ni-based Superalloys by Neutron Diffraction

The residual stress and its relaxation in critical engineering components are key to structural materials reliability. The determination of residual stress in bulk engineering structures like Ni-based superalloys can be conducted by measuring the lattice strain with penetrating neutron diffraction. The state-of-the-art engineering diffraction beamline VULCAN at the Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS) provides the critical capability to evaluate the residual strain/stress relaxation in engineering component thanks to the high flux and event data features. By the means of residual stress/strain calculation, it is critical to accurately determine the stress-free lattice spacing d₀, which can be altered by the change of chemistry, unrelieved stress, and measurement scheme. Here we reported d₀ determination for determining residual stress relaxation and distribution in Alloy 718 superalloys after different quenching treatments. Selection of locations for d₀ measurement was discussed by considering the neutron path, attenuation and sample alignment. A dynamic d₀ that resulted from atom diffusion and chemistry change was estimated as function of time for the in-situ relaxation characterization. It demonstrated how the dynamic d₀ values may influence on the strain calculation in different thermally treated samples. The results highlight the importance of dynamic d₀ for in-situ relaxation involving chemical changes and provide guidance to the dynamic d₀ measurement and simulation.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator

Molecular dynamics (MD) trajectories based on classical equations of motion can be used to sample the configurational space of complex molecular systems. However, brute-force MD often converges slowly due to the ruggedness of the underlying potential energy surface. Several schemes have been proposed to address this problem by effectively smoothing the potential energy surface. However, in order to recover the proper Boltzmann equilibrium probability distribution, these approaches must then rely on statistical reweighting techniques or generate the simulations within a Hamiltonian tempering replica-exchange scheme. The present work puts forth a novel hybrid sampling propagator combining Metropolis-Hastings Monte Carlo (MC) with proposed moves generated by non-equilibrium MD (neMD). This hybrid neMD-MC propagator comprises three elementary elements: (i) an atomic system is dynamically propagated for some period of time using standard equilibrium MD on the correct potential energy surface; (ii) the system is then propagated for a brief period of time during what is referred to as a “boosting phase,” via a time-dependent Hamiltonian that is evolved toward the perturbed potential energy surface and then back to the correct potential energy surface; (iii) the resulting configuration at the end of the neMD trajectory is then accepted or rejected according to a Metropolis criterion before returning to step 1. A symmetric two-end momentum reversal prescription is used at the end of the neMD trajectories to guarantee that the hybrid neMD-MC sampling propagator obeys microscopic detailed balance and rigorously yields the equilibrium Boltzmann distribution. The hybrid neMD-MC sampling propagator is designed and implemented to enhance the sampling by relying on the accelerated MD and solute tempering schemes. It is also combined with the adaptive biased force sampling algorithm to examine. Illustrative tests with specific biomolecular systems indicate that the method can yield a significant speedup.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Topology optimization of an airfoil fin microchannel heat exchanger using artificial intelligence

High-performance microchannel heat exchangers are needed to supply heat for power conversion for nuclear microreactors. An airfoil fin microchannel design, constructed of Alloy 617 with helium as the working fluid, is analyzed and optimized using a design of experiments with artificial intelligence techniques. The use of airfoil fins offers the potential to reduce pressure drop across the heat exchanger, as compared to other types of channel configurations. A framework for topology optimization of airfoil fin printed circuit heat exchangers (PCHEs) has been developed that can be readily extended to different fin sizes and shapes, as well as different inlet and operating conditions, materials of construction, and working fluids. An optimization procedure is developed that employs computational fluid dynamics for a set of design points identified using Latin hypercube sampling. Computational fluid dynamics is used to analyze a simplified two-channel configuration where five design parameters are varied – inlet angle, fin scale, extent of staggering, transverse and longitudinal pitches. Two methods (a 5D polynomial and a regression neural network) are compared for generating surrogate models and the resulting response surface approximation is input to a genetic algorithm that is used to identify a set of optimal parameters. The optimal geometries are found across six channel Reynolds numbers ranging from 1000 to 5000, since inlet conditions affect flow through the heat exchanger. Additionally, a set of optimal designs that maximizes heat transfer and minimizes pressure drop is identified, and a thermal stress analysis is performed on the optimal design. Correlations for the Nusselt number and Darcy friction factor are developed that can be useful for thermal hydraulic analyses using system codes. Thermal stresses are analyzed and a brief discussion of the status of code cases of PCHEs for nuclear applications is given. Testing and thermomechanical modeling is needed to facilitate future code compliance of PCHEs for high pressure and high temperature applications.

42 ENGINEERING↗

NASA NTRS2000

Dynamic Stability Testing of the Genesis Sample Return Capsule

This paper documents a series of free flight tests of a scale model of the Genesis Sample Return Capsule. These tests were conducted in the Aeroballistic Research Facility (ARF), located at Eglin AFB, FL, during April 1999 and were sponsored by NASA Langley Research Center. Because these blunt atmospheric entry shapes tend to experience small angle of attack dynamic instabilities (frequently leading to limit cycle motions), the primary purpose of the present tests was to determine the dynamic stability characteristics of the Genesis configuration. The tests were conducted over a Mach number range of 1.0 to 4.5. The results for this configuration indicate that the models were dynamically unstable at low angles of attack for all Mach numbers tested. At Mach numbers below 2.5, the models were also unstable at the higher angles of attack (above 15 deg), and motion amplitudes of up to 40 deg were experienced. Above Mach 2.5, the models were dynamically stable at the higher angles of attack.

Cheatwood, F. McNeil↗

DOE OSTI2025

FLAMES─Fast, Low-Storage, Accurate, and Memory-Efficient Adaptive Sampling─Approach to Resolve Spatially Dependent Dynamics of Molecular Liquids

Many critical phenomena in soft matter occur at large length scales, necessitating the resolution of their structure and dynamics at low wavenumbers. However, resolving wavenumber-dependent dynamics computationally via molecular dynamics simulations presents significant challenges, as these phenomena span several orders of magnitude in both time and length scales, resulting in high computational costs and memory demands. Here, this work highlights the computational and memory challenges associated with analyzing molecular trajectories in reciprocal space and demonstrates a method to address them. We introduce FLAMESFast, Low-storage, Accurate, and Memory-Efficient adaptive Sampling, which is a direct method for calculation of structure factors, allowing us to select only the required number of wavevectors for binning. We also use wavenumber-dependent time steps to extract dynamics. Our FLAMES approach effectively mitigates computational and memory/storage bottlenecks. We demonstrate the method using simulations of a model system, liquid octane, at various temperatures. Comparisons with experimental data and real space computation show that the FLAMES technique achieves high accuracy in resolving temperature- and spatially dependent dynamics while being significantly more computationally efficient and requiring less memory and storage than methods based on a uniform wavevector grid and fixed temporal spacing.

Chen, Guang [Argonne National Laboratory (ANL), Ar↗

DOE OSTI2024

Insights into the structure and dynamics of K + ions at the muscovite–water interface from machine learning potential simulations

The surfaces of many minerals are covered by naturally occurring cations that become partially hydrated and can be replaced by hydronium or other cations when the surface is exposed to water or an aqueous solution. These ion exchange processes are relevant to various chemical and transport phenomena, yet elucidating their microscopic details is challenging for both experiments and simulations. Here, in this work, we make a first step in this direction by investigating the behavior of the native K + ions at the interface between neat water and the muscovite mica (001) surface with ab-initio -based machine learning molecular dynamics and enhanced sampling simulations. Our results show that the desorption of the surface K + ions in pure ion-free water has a significant free energy barrier irrespective of their local surface arrangement. In contrast, facile K + diffusion between mica’s ditrigonal cavities characterized by different Al/Si orderings is observed. This behavior suggests that the K + ions may favor a dynamic disordered surface arrangement rather than complete desorption when exposed to deionized water.

Ab-initio molecular dynamics↗

NASA NTRS2001

Dynamic Finite Element Predictions for Mars Sample Return Cellular Impact Test #4

The nonlinear finite element program MSC.Dytran was used to predict the impact pulse for (he drop test of an energy absorbing cellular structure. This pre-test simulation was performed to aid in the design of an energy absorbing concept for a highly reliable passive Earth Entry Vehicle (EEV) that will directly impact the Earth without a parachute. In addition, a goal of the simulation was to bound the acceleration pulse produced and delivered to the simulated space cargo container. EEV's are designed to return materials from asteroids, comets, or planets for laboratory analysis on Earth. The EEV concept uses an energy absorbing cellular structure designed to contain and limit the acceleration of space exploration samples during Earth impact. The spherical shaped cellular structure is composed of solid hexagonal and pentagonal foam-filled cells with hybrid graphite-epoxy/Kevlar cell walls. Space samples fit inside a smaller sphere at the enter of the EEV's cellular structure. The material models and failure criteria were varied to determine their effect on the resulting acceleration pulse. Pre-test analytical predictions using MSC.Dytran were compared with the test results obtained from impact test #4 using bungee accelerator located at the NASA Langley Research Center Impact Dynamics Research Facility. The material model used to represent the foam and the proper failure criteria for the cell walls were critical in predicting the impact loads of the cellular structure. It was determined that a FOAMI model for the foam and a 20% failure strain criteria for the cell walls gave an accurate prediction of the acceleration pulse for drop test #4.

Fasanella, Edwin L.↗

DOE OSTI2021

Measuring H 0 using X-ray and SZ effect observations of dynamically relaxed galaxy clusters

ABSTRACT We use a sample of 14 massive, dynamically relaxed galaxy clusters to constrain the Hubble constant, H0, by combining X-ray and Sunyaev–Zel’dovich (SZ) effect signals measured with Chandra, Planck, and Bolocam. This is the first such analysis to marginalize over an empirical, data-driven prior on the overall accuracy of X-ray temperature measurements, while our restriction to the most relaxed, massive clusters also minimizes astrophysical systematics. For a cosmological-constant model with Ωm = 0.3 and ΩΛ = 0.7, we find $H_0 = 67.3^{+21.3}_{-13.3}\, \mathrm{km}\, \mathrm{s}^{-1}\, \mathrm{Mpc}^{-1}$, limited by the temperature calibration uncertainty (compared to the statistically limited constraint of $H_0 = 72.3^{+7.6}_{-7.6}\, \mathrm{km}\, \mathrm{s}^{-1}\, \mathrm{Mpc}^{-1}$). The intrinsic scatter in the X-ray/SZ pressure ratio is found to be 13 ± 4 per cent (10 ± 3 per cent when two clusters with significant galactic dust emission are removed from the sample), consistent with being primarily due to triaxiality and projection. We discuss the prospects for reducing the dominant systematic limitation to this analysis, with improved X-ray calibration and/or precise measurements of the relativistic SZ effect providing a plausible route to per cent level constraints on H0.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2013

Dynamic Acquisition and Retrieval Tool (DART) for Comet Sample Return : Session: 2.06.Robotic Mobility and Sample Acquisition Systems

The 2011 Decadal Survey for planetary science released by the National Research Council of the National Academies identified Comet Surface Sample Return (CSSR) as one of five high priority potential New Frontiers-class missions in the next decade. The main objectives of the research described in this publication are: develop a concept for an end-to-end system for collecting and storing a comet sample to be returned to Earth; design, fabricate and test a prototype Dynamic Acquisition and Retrieval Tool (DART) capable of collecting 500 cc sample in a canister and eject the canister with a predetermined speed; identify a set of simulants with physical properties at room temperature that suitably match the physical properties of the comet surface as it would be sampled. We propose the use of a dart that would be launched from the spacecraft to impact and penetrate the comet surface. After collecting the sample, the sample canister would be ejected at a speed greater than the comet's escape velocity and captured by the spacecraft, packaged into a return capsule and returned to Earth. The dart would be composed of an inner tube or sample canister, an outer tube, a decelerator, a means of capturing and retaining the sample, and a mechanism to eject the canister with the sample for later rendezvous with the spacecraft. One of the significant unknowns is the physical properties of the comet surface. Based on new findings from the recent Deep Impact comet encounter mission, we have limited our search of solutions for sampling materials to materials with 10 to 100 kPa shear strength in loose or consolidated form. As the possible range of values for the comet surface temperature is also significantly different than room temperature and testing at conditions other than the room temperature can become resource intensive, we sought sample simulants with physical properties at room temperature similar to the expected physical properties of the comet surface material. The chosen DART configuration, the efforts to identify a test simulant and the properties of these simulants, and the results of the preliminary testing will be described in this paper.

Dynamic Acquisition and Retrieval Tool (DART)↗

NASA NTRS2015

Dynamic Simulation Probabalistic Risk Assessment Model for an Enceladus Sample Return Mission

Enceladus, a moon of Saturn, has geyser-like jets that spray plumes of material into orbit. These jets could enable a free-flying spacecraft to collect samples and return them to Earth for study to determine if they contain the building blocks of life. The Office of Planetary Protection at NASA requires containment of any unsterilized samples and prohibits destructive impact of the spacecraft upon return to Earth, with a sample release probability of less than 1 in 1,000,000 as a recommended goal. This paper describes a probabilistic risk assessment model that uses dynamic simulation techniques to capture the physics-based, time- and state-dependent interactions between the sample return system and the environment, which drive the risk of sample release. The dynamic approach uses a Monte Carlo-style simulation to integrate the many phases and sources of risk for a sample return mission. The model is used to assess the achievability of the planetary protection reliability goal. This is accomplished by performing sensitivity studies assessing the impact of modeling assumptions to identify where uncertainties drive the risk. These results, in turn, are used to examine the feasibility of meeting key design and performance parameters that are needed to achieve the reliability goal for a given architecture with existing technologies.

Dynamic Simulation↗