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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Sensitivity Coefficients for Diffusion Coefficients and Other Reactor Physics Parameters using CE TSUNAMI-3D

The TSUNAMI (Tools for Sensitivity and Uncertainty Analysis Methodology Implementation) capabilities within the SCALE code system leverage sensitivity coefficients for many criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, quantifying computational biases, and selecting applicable benchmark experiments. TSUNAMI sensitivity and uncertainty analysis tools have traditionally been limited to criticality safety application spaces, but the introduction of Generalized Perturbation Theory (GPT) sensitivity methods by Jessee in 2009 and Perfetti in 2013 has extended the scope of SCALE adjoint-weighted sensitivity and uncertainty analysis to include reactor physics applications. The continuous-energy (CE) TSUNAMI-3D GPT sensitivity analysis methods were originally developed to calculate sensitivity coefficients for a limited number of reaction-rate responses using CE Monte Carlo methods. These tools were recently applied in an Oak Ridge National Laboratory (ORNL)-directed research and development project to improve the efficiency of {sup 252}Cf production in the High Flux Isotope Reactor (HFIR) by understanding the sensitivity of key heavy actinide capture-to- fission ratios to potential system design changes. This work further extends the applicability of the CE TSUNAMI- 3D GPT methods to reactor physics applications by enabling the calculation of sensitivity coefficients for an expanded set of reaction rate responses-including a first-ever capability for conducting sensitivity analysis of neutron diffusion coefficients.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Using Directional Diffusion Coefficients for Nonlinear Diffusion Acceleration of the First Order S{sub N} Equations in Near-Void Regions

The common definition of the diffusion coefficient as the inverse of three times the transport cross section is not compatible with voids. Morel introduced a non-local tensor diffusion coefficient that remains finite in voids. It can be obtained by solving an auxiliary transport problem without scattering or fission. Larsen and Trahan successfully applied this diffusion coefficient for enhancing the accuracy of diffusion solutions of very high temperature reactor (VHTR) problems that feature large, optically thin channels in the z-direction. It was demonstrated that a significant reduction of error can be achieved in particular in the optically thin region. Along the same line of thought, non-local diffusion tensors have been applied to modeling the TREAT reactor confirming the findings of Larsen and Trahan. Previous work of the authors have introduced a flexible Nonlinear-Diffusion Acceleration (NDA) method for the first order S{sub N} equations discretized with the discontinuous finite element method (DFEM). This NDA method uses a scalar diffusion coefficient in the low-order system that is obtained as the flux weighted average of the inverse transport cross section. Hence, it suffers from very large and potentially unbounded diffusion coefficients in the low order problem. However, it was noted that the choice of the diffusion coefficient does not influence consistency of the method at convergence and hence the diffusion coefficient is essentially a free parameter. The choice of the diffusion coefficient does, however, affect the convergence behavior of the nonlinear diffusion iterations. Within this work we use Morel's non-local diffusion coefficient in the aforementioned NDA formulation in lieu of the flux weighted inverse of three times the transport cross section. The goal of this paper is to demonstrate that significant enhancement of the spectral properties of NDA can be achieved in near void regions. For testing the spectral properties of the NDA with non-local diffusion coefficients, the periodical horizontal interface problem is used. This problem consists of alternating stripes of optically thin and thick materials both of which feature scattering ratios close to unity. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Direct Measurement of Diffusion Coefficients: Evidence for Diffusive Stochastic Heating in Collisionless Plasmas

Open questions in collisionless plasma dissipation can be addressed using space-based observations in different astrophysical environments, with implications for both astrophysical and laboratory plasma systems. We study a low-𝛽, highly imbalanced, sub-Alfvénic stream observed by Parker Solar Probe (PSP) to identify and distinguish between signatures of stochastic heating (SH) and resonant heating (RH) by parallel ion cyclotron waves (∥-ICWs). Prior work studying this stream [Trevor A. Bowen et al., Stochastic heating in the sub-Alfvénic solar wind, Phys. Rev. Lett. 135, 255201 (2025)] showed that the SH rate, accounting for intermittency, matched the amplitude of the local energy transfer (LET) rate, while the RH rate did not. This comparison relied on a number of assumptions regarding the nature of the diffusive process and the calculation of the LET rate. We introduce a novel technique of inverting the proton guiding center equation to empirically measure velocity-space diffusion coefficients using three-dimensional proton velocity distribution functions, from the ion electrostatic analyzer (the Solar Probe Analyzer for Ions) on PSP. Measured diffusion coefficients are used to determine phase-space heating rates, leading to a calculation of a fully kinetic heating rate independent of assumptions made in prior work. We show that scale-dependent analytic expressions for SH via noncoherent fluctuations match the empirical measurements from PSP data, provided that we account for intermittency in the heating calculation. In contrast, the derived heating rates for SH that accounts for the effects of the helicity barrier and heating rates for RH via ∥-ICWs do not peak in the same region of velocity space as the empirical measurements, nor do they reach the required magnitude. Our approach provides novel methodology to uniquely identify and constrain heating processes in collisionless plasmas and shows evidence of a Fokker-Planck-like diffusive process in the near-Sun solar wind.

Plasma kinetic theory↗
DOE OSTI2019

PET/CT in brachytherapy early response evaluation of pancreatic ductal adenocarcinoma xenografts: comparison with apparent diffusion coefficient from diffusion-weighted MR imaging

Objective: To evaluate the feasibility of using PET/CT and diffusion-weighted magnetic resonance imaging (DW-MRI) to monitor the early response of pancreatic ductal adenocarcinoma (PDAC) xenografts to brachytherapy, and to determine whether maximum standardized uptake value (SUVmax) correlate with apparent diffusion coefficient (ADC). Materials and Methods: SW1990 human PDAC were subcutaneously implanted in 20 nude mice. They were randomly divided into 125-Iodine ({sup 125}I) seeds and blank seeds group. PET/CT and DW-MRI were performed at pretreatment and 5 days after therapy. SUVmax and ADC values were calculated, respectively. The correlation between SUVmax and ADC values was analyzed by the Pearson correlation test. Results: The SUVmax were significantly decreased between pretreatment and 5 days after {sup 125}I seeds treatment (p < 0.001) and between two groups (p < 0.001). And the ADC values were significantly increased between pretreatment and 5 days after {sup 125}I seeds treatment (p < 0.001) and between two groups (p < 0.001). While in the bank seeds group, there were no significantly difference between pretreatment and after treatment in SUVmax and ADC values (p = 0.057; p = 0.397). SUVmax and ADC correlated significantly and negatively before treatment in both groups (r = − 0.964, R{sup 2} = 0.929, p < 0.001; r = − 0.917, R{sup 2} = 0.841, p < 0.001) and after treatment in the blank seeds group (r = − 0.944, R{sup 2} = 0.891, p < 0.001). But after {sup 125}I seeds treatment there was no significant correlation between SUVmax and ADC (r = − 0.388, R{sup 2} = 0.151, p = 0.268). Conclusion: The PET/CT and DW-MRI are capable of monitoring the early response of PDAC xenografts to brachytherapy. The significantly inverse correlation between pretreatment SUVmax and ADC suggests that PET/CT and DW-MRI might play complementary roles for therapy assessment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Measuring the Local Diffusion Coefficient with H.E.S.S. Observations of Very High-Energy Electrons

The HAWC Collaboration has recently reported the detection of bright and spatially extended multi-TeV gamma-ray emission from Geminga, Monogem, and a handful of other nearby, middle-aged pulsars. The angular profile of the emission observed from these pulsars is surprising, in that it implies that cosmic-ray diffusion is significantly inhibited within ~25 pc of these objects, compared to the expectations of standard Galactic diffusion models. This raises the important question of whether the diffusion coefficient in the local interstellar medium is also low, or whether it is instead better fit by the mean Galactic value. Here, we utilize recent observations of the cosmic-ray electron spectrum (extending up to ~20 TeV) by the H.E.S.S. Collaboration to show that the local diffusion coefficient cannot be as low as it is in the regions surrounding Geminga and Monogem. Instead, we conclude that cosmic rays efficiently diffuse through the bulk of the local interstellar medium. Among other implications, this further supports the conclusion that pulsars significantly contribute to the observed positron excess and provides strong evidence for spatially varying diffusion coefficients throughout the Milky Way.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO{sub 2}, n-alkanes, and poly(ethylene glycol) dimethyl ethers

Molecular dynamics simulations were carried out to study the self-diffusion coefficients of CO{sub 2}, methane, propane, n-hexane, n-hexadecane, and various poly(ethylene glycol) dimethyl ethers (glymes in short, CH{sub 3}O–(CH{sub 2}CH{sub 2}O){sub n}–CH{sub 3} with n = 1, 2, 3, and 4, labeled as G1, G2, G3, and G4, respectively) at different conditions. Various system sizes were examined. The widely used Yeh and Hummer [J. Phys. Chem. B 108, 15873 (2004)] correction for the prediction of diffusion coefficient at the thermodynamic limit was applied and shown to be accurate in all cases compared to extrapolated values at infinite system size. The magnitude of correction, in all cases examined, is significant, with the smallest systems examined giving for some cases a self-diffusion coefficient approximately 15% lower than the infinite system-size extrapolated value. The results suggest that finite size corrections to computed self-diffusivities must be used in order to obtain accurate results.

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

Using Directional Diffusion Coefficients for Nonlinear Diffusion Acceleration of the First Order SN Equations in Near-Void Regions

The common definition of the diffusion coeffcient as the inverse of three times the transport cross section is not compat- ible with voids. Morel introduced a non-local tensor diffusion coeffcient that remains finite in voids[1]. It can be obtained by solving an auxiliary transport problem without scattering or fission. Larsen and Trahan successfully applied this diffusion coeffcient for enhancing the accuracy of diffusion solutions of very high temperature reactor (VHTR) problems that feature large, optically thin channels in the z-direction [2]. It is demonstrated that a significant reduction of error can be achieved in particular in the optically thin region. Along the same line of thought, non-local diffusion tensors are applied modeling the TREAT reactor confirming the findings of Larsen and Trahan [3]. Previous work of the authors have introduced a flexible Nonlinear-Diffusion Acceleration (NDA) method for the first order S N equations discretized with the discontinuous finite element method (DFEM), [4], [5], [6]. This NDA method uses a scalar diffusion coeffcient in the low-order system that is obtained as the flux weighted average of the inverse transport cross section. Hence, it su?ers from very large and potentially unbounded diffusion coeffcients in the low order problem. However, it was noted that the choice of the diffusion coeffcient does not influence consistency of the method at convergence and hence the di?usion coeffcient is essentially a free parameter. The choice of the di?usion coeffcient does, however, affect the convergence behavior of the nonlinear di?usion iterations. Within this work we use Morel’s non-local di?usion coef- ficient in the aforementioned NDA formulation in lieu of the flux weighted inverse of three times the transport cross section. The goal of this paper is to demonstrate that significant en- hancement of the spectral properties of NDA can be achieved in near void regions. For testing the spectral properties of the NDA with non-local diffusion coeffcients, the periodical horizontal interface problem is used [7]. This problem consists of alternating stripes of optically thin and thick materials both of which feature scattering ratios close to unity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Comparison of Experimental Methods for Estimating Matrix Diffusion Coefficients for Contaminant Transport Modeling

Diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged from 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2023

Determination of Ce 3+ , Co 2+ , Mn 2+ and Fe 2+ diffusion coefficients in Nafion® membrane

Concentration gradient diffusion coefficients for Ce 3+ , Co 2+ , Mn 2+ and Fe 2+ cations are determined in Nafion®211 membranes over a wide range of environmental conditions. Measurements are made using finite-width cation-rich bands introduced to NR211 via a hot-pressing procedure. A robust method of accurate diffusion coefficient determination of the finite-width deposits is developed using a Fick's second law of diffusion solution for one-dimensional systems. The transition metal dications are found to have nearly identical NR211 diffusion coefficients under water saturated conditions over the 22–80 °C range. The powerful chemical mitigant, Ce 3+ , is about one-half as diffusive as the dications under identical conditions. Derived diffusion coefficients for Ce 3+ and Co 2+ are found to be independent of initial cation concentration over the range of 12.5–70 mol% exchange level. The diffusion behavior of Ce 3+ in 80 °C liquid water and saturated water vapor is identical. The diffusion coefficients of Ce 3+ are shown to have a strong dependence on membrane hydration level varying by a factor of more than 30 over the range of 95 to 40% RH. Finally, the implications of these new diffusion findings are applied to a discussion of potential guidelines for the development of highly durable fuel cell systems, which employ mobile metal cations as lifetime-extending redox stabilizers.

08 HYDROGEN↗