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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Determination of the beam quality index of high-energy photon beams under nonstandard reference conditions

Purpose: At some modern radiotherapy machines it is not possible to achieve reference conditions for the measurement of beam quality indices used in dosimetry codes of practice, such as IAEA TRS-398 and AAPM TG-51. This work aims at providing self-consistent and simpler expressions and more accurate fits for a limited range of beams of interest than have been proposed previously for deriving these beam quality indices from measurements. Methods: The starting point is a formula proposed by Sauer [Med. Phys. 36, 4168-4172 (2009)] for deriving the beam quality index used in IAEA TRS-398, TPR{sub 20,10}, from a measurement of the tissue phantom ratio at depths of 20 cm and 10 cm in water for an s Multiplication-Sign s cm{sup 2} (equivalent) square field, TPR{sub 20,10}(s). First, a self-consistent version of this formula is established followed by a simpler version by making a linear approximation. A similar approach is proposed to derive the beam quality index used in AAPM TG-51, %dd(10){sub X}, from a measurement of PDD{sub 10}(s), the percentage depth dose at 10 cm for a square field with size s. All models were fitted to subsets of relevant data from BJR supplement 25. Results: The linear models for TPR{sub 20,10}(s) and exponential models for PDD{sub 10}(s) as a function of the (equivalent) square field size can reproduce the beam quality within 0.3% and beam quality correction factors within 0.05% for square field sizes ranging from 4 cm to 12 cm and nominal photon energies from 4 MV to 12 MV. For higher energy beams the errors are only slightly worse but for %dd(10){sub X}, an additional uncertainty component has to be considered for the electron contamination correction. Conclusions: The models proposed here can be used in practical recommendations for the dosimetry of small and nonstandard fields.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Complete the Design of Benchtop Fiber-Optic Based Photo-Thermal Radiometry System

Thermal transport properties of nuclear fuels, i.e., thermal conductivity and diffusivity, are critical parameters in the thermal design of a nuclear reactor. It is well known that thermal transport properties change temporally and spatially due to dynamic microstructural evolution as a result of neutron irradiation. A real-time instrument to monitor the local thermal property change, which can survive the harsh in-pile environment, will give researchers unprecedented access to fuel behavior during irradiation. Laser-based photothermal techniques are an ideal candidate to accomplish this specific task, because of the remote, non-contact, and non-destructive features. In this report, we present the progress in the development of a bench-top photothermal radiometry (PTR) system to measure the thermal diffusivity of solid samples, and the preliminary design of a fiber-based PTR instrument to measure the real-time, in-pile thermal diffusivity of nuclear fuels. The PTR technique measures the local temperature response from a modulated heat source by detecting the sample radiation heat flux. Initially a well-developed thermal wave analytical model was fit to the data to obtain the thermal diffusivity. However, systematic errors from the diffraction effect and non-linearity issues resulted in thermal diffusivity measurements higher than literature values. These effects have been studied and an improved analytical model has been developed, and the physics behind the phenomena are still under investigation. A procedure for optimizing measurements from the bench-top system has been provided. The experiences from the bench top measurement were then used to guide the fiber-based system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

DUST AND GAS IN THE MAGELLANIC CLOUDS FROM THE HERITAGE HERSCHEL KEY PROJECT. I. DUST PROPERTIES AND INSIGHTS INTO THE ORIGIN OF THE SUBMILLIMETER EXCESS EMISSION

The dust properties in the Large and Small Magellanic clouds (LMC/SMC) are studied using the HERITAGE Herschel Key Project photometric data in five bands from 100 to 500 μm. Three simple models of dust emission were fit to the observations: a single temperature blackbody modified by a power-law emissivity (SMBB), a single temperature blackbody modified by a broken power-law emissivity (BEMBB), and two blackbodies with different temperatures, both modified by the same power-law emissivity (TTMBB). Using these models, we investigate the origin of the submillimeter excess, defined as the submillimeter emission above that expected from SMBB models fit to observations <200 μm. We find that the BEMBB model produces the lowest fit residuals with pixel-averaged 500 μm submillimeter excesses of 27% and 43% for the LMC and SMC, respectively. Adopting gas masses from previous works, the gas-to-dust ratios calculated from our fitting results show that the TTMBB fits require significantly more dust than are available even if all the metals present in the interstellar medium (ISM) were condensed into dust. This indicates that the submillimeter excess is more likely to be due to emissivity variations than a second population of colder dust. We derive integrated dust masses of (7.3 ± 1.7) × 10{sup 5} and (8.3 ± 2.1) × 10{sup 4} M {sub ☉} for the LMC and SMC, respectively. We find significant correlations between the submillimeter excess and other dust properties; further work is needed to determine the relative contributions of fitting noise and ISM physics to the correlations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE TEMPERATURES OF RED SUPERGIANTS

We present a re-appraisal of the temperatures of red supergiants (RSGs) using their optical and near-infrared spectral energy distributions (SEDs). We have obtained data of a sample of RSGs in the Magellanic Clouds using VLT+XSHOOTER, and we fit MARCS model atmospheres to different regions of the spectra, deriving effective temperatures for each star from (1) the TiO bands, (2) line-free continuum regions of the SEDs, and (3) the integrated fluxes. We show that the temperatures derived from fits to the TiO bands are systematically lower than the other two methods by several hundred kelvin. The TiO fits also dramatically overpredict the flux in the near-IR, and imply extinctions which are anomalously low compared to neighboring stars. In contrast, the SED temperatures provide good fits to the fluxes at all wavelengths other than the TiO bands, are in agreement with the temperatures from the flux integration method, and imply extinctions consistent with nearby stars. After considering a number of ways to reconcile this discrepancy, we conclude that three-dimensional effects (i.e., granulation) are the most likely cause, as they affect the temperature structure in the upper layers where the TiO lines form. The continuum, however, which forms at much deeper layers, is apparently more robust to such effects. We therefore conclude that RSG temperatures are much warmer than previously thought. We discuss the implications of this result for stellar evolution and supernova progenitors, and provide relations to determine the bolometric luminosities of RSGs from single-band photometry.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Modeling of the blood rheology in steady-state shear flows

We undertake here a systematic study of the rheology of blood in steady-state shear flows. As blood is a complex fluid, the first question that we try to answer is whether, even in steady-state shear flows, we can model it as a rheologically simple fluid, i.e., we can describe its behavior through a constitutive model that involves only local kinematic quantities. Having answered that question positively, we then probe as to which non-Newtonian model best fits available shear stress vs shear-rate literature data. We show that under physiological conditions blood is typically viscoplastic, i.e., it exhibits a yield stress that acts as a minimum threshold for flow. We further show that the Casson model emerges naturally as the best approximation, at least for low and moderate shear-rates. We then develop systematically a parametric dependence of the rheological parameters entering the Casson model on key physiological quantities, such as the red blood cell volume fraction (hematocrit). For the yield stress, we base our description on its critical, percolation-originated nature. Thus, we first determine onset conditions, i.e., the critical threshold value that the hematocrit has to have in order for yield stress to appear. It is shown that this is a function of the concentration of a key red blood cell binding protein, fibrinogen. Then, we establish a parametric dependence as a function of the fibrinogen and the square of the difference of the hematocrit from its critical onset value. Similarly, we provide an expression for the Casson viscosity, in terms of the hematocrit and the temperature. A successful validation of the proposed formula is performed against additional experimental literature data. The proposed expression is anticipated to be useful not only for steady-state blood flow modeling but also as providing the starting point for transient shear, or more general flow modeling.

42 ENGINEERING↗
DOE OSTI2015

THE CIRCUMSTELLAR DISK OF THE Be STAR o AQUARII AS CONSTRAINED BY SIMULTANEOUS SPECTROSCOPY AND OPTICAL INTERFEROMETRY

Omicron Aquarii is a late-type, Be shell star with a stable and nearly symmetric Hα emission line. We combine Hα interferometric observations obtained with the Navy Precision Optical Interferometer covering 2007 through 2014 with Hα spectroscopic observations over the same period and a 2008 observation of the system's near-infrared spectral energy distribution to constrain the properties of o Aqr's circumstellar disk. All observations are consistent with a circumstellar disk seen at an inclination of 75° ± 3° with a position angle on the sky of 110° ± 8° measured East from North. From the best-fit disk density model, we find that 90% of the Hα emission arises from within 9.5 stellar radii, and the mass associated with this Hα disk is ∼1.8 × 10{sup −10} of the stellar mass, and that the associated angular momentum, assuming Keplerian rotation for the disk, is ∼1.6 × 10{sup −8} of the total stellar angular momentum. The occurrence of a central quasi-emission feature in Mg ii λ4481 is also predicted by this best-fit disk model and the computed profile compares successfully with observations from 1999. To obtain consistency between the Hα line profile modeling and the other constraints, it was necessary in the profile fitting to weight the line core (emission peaks and central depression) more heavily than the line wings, which were not well reproduced by our models. This may reflect the limitation of assuming a single power law for the disk's variation in equatorial density. The best-fit disk density model for o Aqr predicts that Hα is near its maximum strength as a function of disk density, and hence the Hα equivalent width and line profile change only weakly in response to large (factor of ∼5) changes in the disk density. This may in part explain the remarkable observed stability of o Aqr's Hα emission line profile.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

The molecular dipole moment ( μ ) is a central quantity in chemistry. It is essential in predicting infrared and sum-frequency generation spectra as well as induction and long-range electrostatic interactions. Furthermore, it can be extracted directly—via the ground state electron density—from high-level quantum mechanical calculations, making it an ideal target for machine learning (ML). Here, we choose to represent this quantity with a physically inspired ML model that captures two distinct physical effects: local atomic polarization is captured within the symmetry-adapted Gaussian process regression framework which assigns a (vector) dipole moment to each atom, while the movement of charge across the entire molecule is captured by assigning a partial (scalar) charge to each atom. The resulting “MuML” models are fitted together to reproduce molecular μ computed using high-level coupled-cluster theory and density functional theory (DFT) on the QM7b dataset, achieving more accurate results due to the physics-based combination of these complementary terms. The combined model shows excellent transferability when applied to a showcase dataset of larger and more complex molecules, approaching the accuracy of DFT at a small fraction of the computational cost. We also demonstrate that the uncertainty in the predictions can be estimated reliably using a calibrated committee model. The ultimate performance of the models—and the optimal weighting of their combination—depends, however, on the details of the system at hand, with the scalar model being clearly superior when describing large molecules whose dipole is almost entirely generated by charge separation. These observations point to the importance of simultaneously accounting for the local and non-local effects that contribute to μ ; furthermore, they define a challenging task to benchmark future models, particularly those aimed at the description of condensed phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Rotation of X-ray polarization in the glitches of a silicon crystal monochromator

EXAFS studies on dilute samples are usually carried out by collecting the fluorescence yield using a large-area multi-element detector. This method is susceptible to the `glitches' produced by all single-crystal monochromators. Glitches are sharp dips or spikes in the diffracted intensity at specific crystal orientations. If incorrectly compensated, they degrade the spectroscopic data. Normalization of the fluorescence signal by the incident flux alone is sometimes insufficient to compensate for the glitches. Measurements performed at the state-of-the-art wiggler beamline I20-scanning at Diamond Light Source have shown that the glitches alter the spatial distribution of the sample's quasi-elastic X-ray scattering. Because glitches result from additional Bragg reflections, multiple-beam dynamical diffraction theory is necessary to understand their effects. Here, the glitches of the Si(111) four-bounce monochromator of I20-scanning just above the Ni K edge are associated with their Bragg reflections. A fitting procedure that treats coherent and Compton scattering is developed and applied to a sample of an extremely dilute (100 micromolal) aqueous solution of Ni(NO 3 ) 2 . The depolarization of the wiggler X-ray beam out of the electron orbit is modeled. The fits achieve good agreement with the sample's quasi-elastic scattering with just a few parameters. The X-ray polarization is rotated up to ±4.3° within the glitches, as predicted by dynamical diffraction. These results will help users normalize EXAFS data at glitches.

Sutter, John P.↗
DOE OSTI2015

On the pressure effect in energetic deposition of Cu thin films by modulated pulsed power magnetron sputtering: A global plasma model and experiments

The modulated pulsed power magnetron sputtering (MPPMS) discharge processes are numerically modeled and experimentally investigated, in order to explore the effect of the pressure on MPPMS discharges as well as on the microstructure of the deposited thin films. A global plasma model has been developed based on a volume-averaged global description of the ionization region, considering the loss of electrons by cross-B diffusion. The temporal variations of internal plasma parameters at different pressures from 0.1 to 0.7 Pa are obtained by fitting the model to duplicate the experimental discharge data, and Cu thin films are deposited by MPPMS at the corresponding pressures. The surface morphology, grain size and orientation, and microstructure of the deposited thin films are investigated by scanning electron microscopy, transmission electron microscopy, and x-ray diffraction. By increasing the pressure from 0.1 to 0.7 Pa, both the ion bombardment energy and substrate temperature which are estimated by the modeled plasma parameters decrease, corresponding to the observed transition of the deposited thin films from a void free structure with a wide distribution of grain size (zone T) into an underdense structure with a fine fiber texture (zone 1) in the extended structure zone diagram (SZD). The microstructure and texture transition of Cu thin films are well-explained by the extended SZD, suggesting that the primary plasma processes are properly incorporated in the model. The results contribute to the understanding of the characteristics of MPPMS discharges, as well as its correlation with the microstructure and texture of deposited Cu thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Modelling individual variability in growth of bull trout in the Walla Walla River Basin using a hierarchical von Bertalanffy growth model

Abstract We examined growth in length of fluvial bull trout ( Salvelinus confluentus ) in the Walla Walla River Basin, Washington and Oregon. Our objectives were to quantify individual variability in growth; examine growth within and among years, life history forms, life stages and sexes; and estimate von Bertalanffy growth parameters. Individual variability was evaluated by modelling asymptotic length ( L ∞ ) and the growth coefficient ( k ) as random variables. All models were fit with Bayesian methods and were evaluated for fit by the deviance information criterion. By incorporating individual variability, population‐level estimates of L ∞ and k appeared appropriate and estimated growth trajectories for specific bull trout fit individual observed patterns in growth. Growth trajectories and positive correlation between individual estimates of L ∞ and k suggest that some individuals grow at a faster rate and reach a larger maximum size than other individuals and those differences are maintained throughout life. Selected models suggest that fluvial migrants have higher estimates of L ∞ and k than residents, but there were only slight differences in parameter estimates among migrants from two adjacent spawning populations in the Walla Walla River Basin, as well as between males and females. Growth rates increased for fluvial migrants after subadult emigration. Individual variability in growth is consistent with the life history diversity assumed essential for bull trout population persistence. Quantifying this variability is important for modelling population dynamics and viability to conserve this threatened species.

Harris, Julianne E.↗
DOE OSTI2026

Reformulating a Gurson-based dynamic damage model and demonstrating improved predictive power and numerical robustness

The original Tepla (TEnsile PLAsticity) ductile damage model, based on the Gurson yield surface, has long been used to model damage evolution and material failure under dynamic loading. Unfortunately, Tepla suffered from mesh sensitivity, numerical instability, and limited predictive capability. Here, we theoretically reformulate Tepla to address these issues. We especially focus on the prediction of porosity, which is the key state variable used for modeling ductile damage, as compared to more easily measured surface velocities, which are at best an indirect measure of damage. Key model changes include separating the viscosity during volumetric void growth from underlying shear strength behavior and switching to an iterative bisection solver. The new Tepla is then calibrated on incipient spall experiments on half-hard copper and tantalum, which demonstrate its ability to simultaneously fit the model to recovered porosity distributions and measured surface velocities, a stringent test. Improved numerical behavior, such as greatly reduced mesh sensitivity, is also shown in those simulations. Finally, the new Tepla model is applied to several high-explosive loaded, sweeping wave experiments, showing the ability of the model to predict behavior on tests with significantly different loading conditions and histories than the calibration data.

36 MATERIALS SCIENCE↗
DOE OSTI2012

MULTIWAVELENGTH VARIATIONS OF 3C 454.3 DURING THE 2010 NOVEMBER TO 2011 JANUARY OUTBURST

We present multiwavelength data of the blazar 3C 454.3 obtained during an extremely bright outburst from 2010 November through 2011 January. These include flux density measurements with the Herschel Space Observatory at five submillimeter-wave and far-infrared bands, the Fermi Large Area Telescope at {gamma}-ray energies, Swift at X-ray, ultraviolet (UV), and optical frequencies, and the Submillimeter Array at 1.3 mm. From this data set, we form a series of 52 spectral energy distributions (SEDs) spanning nearly two months that are unprecedented in time coverage and breadth of frequency. Discrete correlation analysis of the millimeter, far-infrared, and {gamma}-ray light curves show that the variations were essentially simultaneous, indicative of cospatiality of the emission, at these wavebands. In contrast, differences in short-term fluctuations at various wavelengths imply the presence of inhomogeneities in physical conditions across the source. We locate the site of the outburst in the parsec-scale 'core', whose flux density as measured on 7 mm Very Long Baseline Array images increased by 70% during the first five weeks of the outburst. Based on these considerations and guided by the SEDs, we propose a model in which turbulent plasma crosses a conical standing shock in the parsec-scale region of the jet. Here, the high-energy emission in the model is produced by inverse Compton scattering of seed photons supplied by either nonthermal radiation from a Mach disk, thermal emission from hot dust, or (for X-rays) synchrotron radiation from plasma that crosses the standing shock. For the two dates on which we fitted the model SED to the data, the model corresponds very well to the observations at all bands except at X-ray energies, where the spectrum is flatter than observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

EMPIRICAL PREDICTIONS FOR (SUB-)MILLIMETER LINE AND CONTINUUM DEEP FIELDS

Modern (sub-)millimeter/radio interferometers such as ALMA, JVLA, and the PdBI successor NOEMA will enable us to measure the dust and molecular gas emission from galaxies that have luminosities lower than the Milky Way, out to high redshifts and with unprecedented spatial resolution and sensitivity. This will provide new constraints on the star formation properties and gas reservoir in galaxies throughout cosmic times through dedicated deep field campaigns targeting the CO/[C II] lines and dust continuum emission in the (sub-)millimeter regime. In this paper, we present empirical predictions for such line and continuum deep fields. We base these predictions on the deepest available optical/near-infrared Advanced Camera for Surveys and NICMOS data on the Hubble Ultra Deep Field (over an area of about 12 arcmin{sup 2}). Using a physically motivated spectral energy distribution model, we fit the observed optical/near-infrared emission of 13,099 galaxies with redshifts up to z = 5, and obtain median-likelihood estimates of their stellar mass, star formation rate, dust attenuation, and dust luminosity. We combine the attenuated stellar spectra with a library of infrared emission models spanning a wide range of dust temperatures to derive statistical constraints on the dust emission in the infrared and (sub-)millimeter which are consistent with the observed optical/near-infrared emission in terms of energy balance. This allows us to estimate, for each galaxy, the (sub-)millimeter continuum flux densities in several ALMA, PdBI/NOEMA, and JVLA bands. As a consistency check, we verify that the 850 {mu}m number counts and extragalactic background light derived using our predictions are consistent with previous observations. Using empirical relations between the observed CO/[C II] line luminosities and the infrared luminosity of star-forming galaxies, we infer the luminosity of the CO(1-0) and [C II] lines from the estimated infrared luminosity of each galaxy in our sample. We then predict the luminosities of higher CO transition lines CO(2-1) to CO(7-6) based on two extreme gas excitation scenarios: quiescent (Milky Way) and starburst (M82). We use our predictions to discuss possible deep field strategies with ALMA. The predictions presented in this study will serve as a direct benchmark for future deep field campaigns in the (sub-)millimeter regime.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Kinetic Modeling of a Silicon Refining Process in a Moist Hydrogen Atmosphere

We developed a kinetic model that considers both silicon loss and boron removal in a metallurgical grade silicon refining process. This model was based on the hypotheses of reversible reactions. The reaction rate coefficient kept the same form but error of terminal boron concentration could be introduced when relating irreversible reactions. Experimental data from published studies were used to develop a model that fit the existing data. At 1500 °C, our kinetic analysis suggested that refining silicon in a moist hydrogen atmosphere generates several primary volatile species, including SiO, SiH, HBO, and HBO{sub 2}. Using the experimental data and the kinetic analysis of volatile species, we developed a model that predicts a linear relationship between the reaction rate coefficient k and both the quadratic function of p(H{sub 2}O) and the square root of p(H{sub 2}). Moreover, the model predicted the partial pressure values for the predominant volatile species and the prediction was confirmed by the thermodynamic calculations, indicating the reliability of the model. We believe this model provides a foundation for designing a silicon refining process with a fast boron removal rate and low silicon loss.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Multinomial logistic regression modelling of obesity and overweight among primary school students in a rural area of Negeri Sembilan

Multinomial logistic regression is widely used to model the outcomes of a polytomous response variable, a categorical dependent variable with more than two categories. The model assumes that the conditional mean of the dependent categorical variables is the logistic function of an affine combination of predictor variables. Its procedure gives a number of logistic regression models that make specific comparisons of the response categories. When there are q categories of the response variable, the model consists of q-1 logit equations which are fitted simultaneously. The model is validated by variable selection procedures, tests of regression coefficients, a significant test of the overall model, goodness-of-fit measures, and validation of predicted probabilities using odds ratio. This study used the multinomial logistic regression model to investigate obesity and overweight among primary school students in a rural area on the basis of their demographic profiles, lifestyles and on the diet and food intake. The results indicated that obesity and overweight of students are related to gender, religion, sleep duration, time spent on electronic games, breakfast intake in a week, with whom meals are taken, protein intake, and also, the interaction between breakfast intake in a week with sleep duration, and the interaction between gender and protein intake.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Assessing the Uncertainty in QUANTEC's Dose–Response Relation of Lung and Spinal Cord With a Bootstrap Analysis

Purpose: To apply a statistical bootstrap analysis to assess the uncertainty in the dose–response relation for the endpoints pneumonitis and myelopathy reported in the QUANTEC review. Methods and Materials: The bootstrap method assesses the uncertainty of the estimated population-based dose-response relation due to sample variability, which reflects the uncertainty due to limited numbers of patients in the studies. A large number of bootstrap replicates of the original incidence data were produced by random sampling with replacement. The analysis requires only the dose, the number of patients, and the number of occurrences of the studied endpoint, for each study. Two dose–response models, a Poisson-based model and the Lyman model, were fitted to each bootstrap replicate using maximum likelihood. Results: The bootstrap analysis generates a family of curves representing the range of plausible dose–response relations, and the 95% bootstrap confidence intervals give an estimated upper and lower toxicity risk. The curve families for the 2 dose–response models overlap for doses included in the studies at hand but diverge beyond that, with the Lyman model suggesting a steeper slope. The resulting distributions of the model parameters indicate correlation and non-Gaussian distribution. For both data sets, the likelihood of the observed data was higher for the Lyman model in >90% of the bootstrap replicates. Conclusions: The bootstrap method provides a statistical analysis of the uncertainty in the estimated dose–response relation for myelopathy and pneumonitis. It suggests likely values of model parameter values, their confidence intervals, and how they interrelate for each model. Finally, it can be used to evaluate to what extent data supports one model over another. For both data sets considered here, the Lyman model was preferred over the Poisson-based model.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2026

Dynamic crushing of metal lattice metamaterials: Shock mode diagrams and transition to topology-independent compaction regime

Additively manufactured lattice metamaterials offer design versatility in strength and energy absorption and provide an additional degree of freedom through the selection of the lattice topology. Under quasistatic loading, the unit cell structure can strongly affect the stiffness, yield, and post-yield behavior, but whether and to what degree the effect of lattice topology persists into dynamic loading scenarios, up to the compaction shock regime, has not been established. LLNL’ s ALE3D hydrocode was used to perform a computational investigation of dynamic loading in multiple lattice types, including the gyroid, octet, Schwarz D, and rhombic dodecahedron, under impact velocities from 0.25 to 2.25 km/s. Shock Hugoniots for each lattice topology are generated and compared, suggesting that above a critical velocity, distinctions between architectures may not persevere and compacted lattices behave similarly. Here, to investigate the transition between topology-dependent quasistatic compression and the topology-independent regime above the critical velocity, a one-dimensional elastic-linear hardening plasticity-densified solid (E-LHP-DS) shock model for lattice materials was developed that relies upon confined compression to link the quasistatic and shock mechanics. Unlike similar works, the model does not assume rigid behavior prior to yield or locking behavior at densification, allowing a richer exploration of lattice mechanics. With only six parameters, the analytical model simultaneously fit quasistatic confined compression simulations for relative densities 0.1 $≤ \bar{ρ} ≤$ 0.9 and predicted dynamic compaction behavior to traverse several distinct shock modes, each defined by a critical impact speed (equivalently, critical stresses). Comparing the numerical results to the one-dimensional E-LHP-DS shock model predictions suggests that the topology-independence under strong shocks is linked to the onset of densification, which can be predicted based on quasistatic confined compression results.

Cellular material↗
DOE OSTI2013

Empirical and physics based mathematical models of uranium hydride decomposition kinetics with quantified uncertainties.

Metal particle beds have recently become a major technique for hydrogen storage. In order to extract hydrogen from such beds, it is crucial to understand the decomposition kinetics of the metal hydride. We are interested in obtaining a a better understanding of the uranium hydride (UH3) decomposition kinetics. We first developed an empirical model by fitting data compiled from different experimental studies in the literature and quantified the uncertainty resulting from the scattered data. We found that the decomposition time range predicted by the obtained kinetics was in a good agreement with published experimental results. Secondly, we developed a physics based mathematical model to simulate the rate of hydrogen diffusion in a hydride particle during the decomposition. We used this model to simulate the decomposition of the particles for temperatures ranging from 300K to 1000K while propagating parametric uncertainty and evaluated the kinetics from the results. We compared the kinetics parameters derived from the empirical and physics based models and found that the uncertainty in the kinetics predicted by the physics based model covers the scattered experimental data. Finally, we used the physics-based kinetics parameters to simulate the effects of boundary resistances and powder morphological changes during decomposition in a continuum level model. We found that the species change within the bed occurring during the decomposition accelerates the hydrogen flow by increasing the bed permeability, while the pressure buildup and the thermal barrier forming at the wall significantly impede the hydrogen extraction.

08 HYDROGEN↗