Search NASA⌕ Search

SEARCH · Search NASA

Results for “Numerical diffusion”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Three-dimensional atomic structure and local chemical order of medium- and high-entropy nanoalloys

Medium- and high-entropy alloys (M/HEAs) mix several principal elements with near-equiatomic composition and represent a model-shift strategy for designing previously unknown materials in metallurgy, catalysis and other fields. One of the core hypotheses of M/HEAs is lattice distortion, which has been investigated by different numerical and experimental techniques. However, determining the three-dimensional (3D) lattice distortion in M/HEAs remains a challenge. Moreover, the presumed random elemental mixing in M/HEAs has been questioned by X-ray and neutron studies, atomistic simulations, energy dispersive spectroscopy and electron diffraction, which suggest the existence of local chemical order in M/HEAs. However, direct experimental observation of the 3D local chemical order has been difficult because energy dispersive spectroscopy integrates the composition of atomic columns along the zone axes and diffuse electron reflections may originate from planar defects instead of local chemical order. Here, in this work, we determine the 3D atomic positions of M/HEA nanoparticles using atomic electron tomography and quantitatively characterize the local lattice distortion, strain tensor, twin boundaries, dislocation cores and chemical short-range order (CSRO). We find that the high-entropy alloys have larger local lattice distortion and more heterogeneous strain than the medium-entropy alloys and that strain is correlated to CSRO. We also observe CSRO-mediated twinning in the medium-entropy alloys, that is, twinning occurs in energetically unfavoured CSRO regions but not in energetically favoured CSRO ones, which represents, to our knowledge, the first experimental observation of correlating local chemical order with structural defects in any material. We expect that this work will not only expand our fundamental understanding of this important class of materials but also provide the foundation for tailoring M/HEA properties through engineering lattice distortion and local chemical order.

36 MATERIALS SCIENCE↗
DOE OSTI2014

ANALYTICAL MODELS OF EXOPLANETARY ATMOSPHERES. II. RADIATIVE TRANSFER VIA THE TWO-STREAM APPROXIMATION

We present a comprehensive analytical study of radiative transfer using the method of moments and include the effects of non-isotropic scattering in the coherent limit. Within this unified formalism, we derive the governing equations and solutions describing two-stream radiative transfer (which approximates the passage of radiation as a pair of outgoing and incoming fluxes), flux-limited diffusion (which describes radiative transfer in the deep interior), and solutions for the temperature-pressure profiles. Generally, the problem is mathematically underdetermined unless a set of closures (Eddington coefficients) is specified. We demonstrate that the hemispheric (or hemi-isotropic) closure naturally derives from the radiative transfer equation if energy conservation is obeyed, while the Eddington closure produces spurious enhancements of both reflected light and thermal emission. We concoct recipes for implementing two-stream radiative transfer in stand-alone numerical calculations and general circulation models. We use our two-stream solutions to construct toy models of the runaway greenhouse effect. We present a new solution for temperature-pressure profiles with a non-constant optical opacity and elucidate the effects of non-isotropic scattering in the optical and infrared. We derive generalized expressions for the spherical and Bond albedos and the photon deposition depth. We demonstrate that the value of the optical depth corresponding to the photosphere is not always 2/3 (Milne's solution) and depends on a combination of stellar irradiation, internal heat, and the properties of scattering in both the optical and infrared. Finally, we derive generalized expressions for the total, net, outgoing, and incoming fluxes in the convective regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Using convolutional neural networks to accelerate three-dimensional coherent synchrotron radiation computations

Calculating the effects of coherent synchrotron radiation (CSR) is one of the most computationally expensive tasks in accelerator physics. Here, we use convolutional neural networks (CNNs), along with a latent conditional diffusion (LCD) model, trained on physics-based simulations to speed up calculations. Specifically, we produce the 3D CSR wakefields generated by electron bunches in circular orbit in the steady-state condition. Two datasets are used for training and testing the models: wakefields generated by three-dimensional Gaussian electron distributions and wakefields from a sum of up to 25 three-dimensional Gaussian distributions. The CNNs are able to accurately produce the 3D wakefields ∼250–1000 times faster than the numerical calculations, while the LCD achieves a gain of a factor of ∼34. We also test the extrapolation and out-of-distribution generalization ability of the models. They generalize well on distributions with larger spreads than what they were trained on but struggle with smaller spreads.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Erratum: A Comparison of Closures for Stochastic Advection-Diffusion Equations

This note corrects an error in the authors' article [SIAM/ASA J. Uncertain. Quantif., 1 (2013), pp. 319 347] in which the cited work [Neuman, Water Resour. Res., 29(3) (1993), pp. 633 645] was incorrectly represented and attributed. Concentration covariance equations presented in our article as new were in fact previously derived in the latter work. In the original abstract, the phrase " . . .we propose a closed-form approximation to two-point covariance as a measure of uncertainty. . ." should be replaced by the phrase " . . .we study a closed-form approximation to two-point covariance, previously derived in [Neuman 1993], as a measure of uncertainty." The primary results in our article--the analytical and numerical comparison of existing closure methods for specific example problems are not changed by this correction.

stochastic PDE↗
DOE OSTI2012

Closure End States for Facilities, Waste Sites, and Subsurface Contamination - 12543

The United States (U.S.) Department of Energy (DOE) manages the largest groundwater and soil cleanup effort in the world. DOE's Office of Environmental Management (EM) has made significant progress in its restoration efforts at sites such as Fernald and Rocky Flats. However, remaining sites, such as Savannah River Site, Oak Ridge Site, Hanford Site, Los Alamos, Paducah Gaseous Diffusion Plant, Portsmouth Gaseous Diffusion Plant, and West Valley Demonstration Project possess the most complex challenges ever encountered by the technical community and represent a challenge that will face DOE for the next decade. Closure of the remaining 18 sites in the DOE EM Program requires remediation of 75 million cubic yards of contaminated soil and 1.7 trillion gallons of contaminated groundwater, deactivation and decommissioning (D and D) of over 3000 contaminated facilities and thousands of miles of contaminated piping, removal and disposition of millions of cubic yards of legacy materials, treatment of millions of gallons of high level tank waste and disposition of hundreds of contaminated tanks. The financial obligation required to remediate this volume of contaminated environment is estimated to cost more than 7% of the to-go life-cycle cost. Critical in meeting this goal within the current life-cycle cost projections is defining technically achievable end states that formally acknowledge that remedial goals will not be achieved for a long time and that residual contamination will be managed in the interim in ways that are protective of human health and environment. Formally acknowledging the long timeframe needed for remediation can be a basis for establishing common expectations for remedy performance, thereby minimizing the risk of re-evaluating the selected remedy at a later time. Once the expectations for long-term management are in place, remedial efforts can be directed towards near-term objectives (e.g., reducing the risk of exposure to residual contamination) instead of focusing on long-term cleanup requirements. An acknowledgement of the long timeframe for complete restoration and the need for long-term management can also help a site transition from the process of pilot testing different remedial strategies to selecting a final remedy and establishing a long-term management and monitoring approach. This approach has led to cost savings and the more efficient use of resources across the Department of Defense complex and at numerous industrial sites across the U.S. Defensible end states provide numerous benefits for the DOE environmental remediation programs including cost-effective, sustainable long-term monitoring strategies, remediation and site transition decision support, and long-term management of closure sites. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Mesoscopic modeling of transport resistances in a polymer-electrolyte fuel-cell catalyst layer: Analysis of hydrogen limiting currents

Understanding transport resistances in a polymer-electrolyte fuel cell (PEFC) catalyst layer (CL) is essential to mitigate the unexpected voltage loss when using low loadings of precious metals. In this paper, we explore through mesoscopic modeling the quantification analyses of the transport resistances in CL as derived using hydrogen-pump limiting current. Numerical treatments on the conjugated interfacial conditions at interfaces of ionomer/pore and Pt/ionomer are proposed to describe the mesoscopic transport processes of hydrogen and proton. Characterizations of the reconstructed microstructure of CL are performed. Parameter analyses on the influences of the critical transport properties such as the permeation coefficient and the dissolution and adsorption reaction rates at the surfaces of ionomer/pore and Pt/ionomer on the local transport resistance are presented. It is found that the local transport resistance is mainly originated from the diffusion resistance of the ionomer thin-film, which is more resistive than its bulk analogue with its permeation coefficient fitted to be 5.9% of the bulk one. The interfacial transport resistances and the diffusion resistance are coupled. The local transport resistance increases with I/C ratio due to thicker ionomer coated on the particles. Higher Pt/C ratio and bare carbon fraction lead to higher local transport resistance since the ionomer loading relative to Pt roughness factor decreases. The local transport resistance decreases with the porosity. Furthermore, the contribution of pores to the CL resistance, which decreases with the porosity, is comparatively small at low loadings.

25 ENERGY STORAGE↗
DOE OSTI2017

Theory and observation of the onset of nonlinear structures due to eigenmode destabilization by fast ions in tokamaks

Alfvén waves can induce the ejection of fast ions in different forms in tokamaks. In order to develop predictive capabilities to anticipate the nature of fast ion transport, a methodology is proposed to differentiate the likelihood of energetic-particle-driven instabilities to produce frequency chirping or fixed-frequency oscillations. Furthermore, the proposed method employs numerically calculated eigenstructures and multiple resonance surfaces of a given mode in the presence of energetic ion drag and stochasticity (due to collisions and micro-turbulence). Toroidicity-induced, reversed-shear and beta-induced Alfvén-acoustic eigenmodes are used as examples. Waves measured in experiments are characterized, and compatibility is found between the proposed criterion predictions and the experimental observation or lack of observation of chirping behavior of Alfvénic modes in different tokamaks. It is found that the stochastic diffusion due to micro-turbulence can be the dominant energetic particle detuning mechanism near the resonances in many plasma experiments, and its strength is the key as to whether chirping solutions are likely to arise. We proposed a criterion that constitutes a useful predictive tool in assessing whether the nature of the transport for fast ion losses in fusion devices will be dominated by convective or diffusive processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Physical effects on compact high-velocity clouds in the circumgalactic medium

ABSTRACT We numerically investigate the evolution of compact high-velocity clouds (CHVCs) passing through a hot, tenuous gas representing the highly ionized circumgalactic medium (CGM) by applying the adaptive-mesh refinement code flash. The model clouds start from both hydrostatic and thermal equilibrium and are in pressure balance with the CGM. Here, we present 14 models, divided into two mass categories and two metallicities each and different velocities. We allow for self-gravity and thermal conduction or not. All models experience mass diffusion, radiative cooling, and external heating leading to dissociation and ionization. Our main findings are (1) self-gravity stabilizes clouds against Rayleigh–Taylor instability, which is disrupted within 10 sound-crossing times without; (2) clouds can develop Jeans-instable regions internally even though they are initially below Jeans mass; (3) all clouds lose mass by ram pressure and Kelvin–Helmholtz instability; (4) thermal conduction substantially lowers mass-loss rates, by this, extending the clouds’ lifetimes, particularly, more than doubling the lifetime of low-mass clouds; (5) thermal conduction leads to continuous, filamentary stripping, while the removed gas is heated up quickly and mixes efficiently with the ambient CGM; (6) without thermal conduction the removed gas consists of dense, cool, clumpy fragments; (7) thermal conduction might prevent CHVCs from forming stars; and (8) clouds decelerated by means of drag from the ambient CGM form head-tail shapes and collapse after they reach velocities characteristic for intermediate-velocity clouds. Conclusively, only sophisticated modelling of CHVCs as non-homogeneous and non-isothermal clouds with thermal conduction and self-gravity explains observed morphologies and naturally leads to the suppression of star formation.

Sander, Bastian↗
DOE OSTI2014

Model-based feasibility assessment and evaluation of prostate hyperthermia with a commercial MR-guided endorectal HIFU ablation array

Purpose: Feasibility of targeted and volumetric hyperthermia (40–45 °C) delivery to the prostate with a commercial MR-guided endorectal ultrasound phased array system, designed specifically for thermal ablation and approved for ablation trials (ExAblate 2100, Insightec Ltd.), was assessed through computer simulations and tissue-equivalent phantom experiments with the intention of fast clinical translation for targeted hyperthermia in conjunction with radiotherapy and chemotherapy. Methods: The simulations included a 3D finite element method based biothermal model, and acoustic field calculations for the ExAblate ERUS phased array (2.3 MHz, 2.3 × 4.0 cm{sup 2}, ∼1000 channels) using the rectangular radiator method. Array beamforming strategies were investigated to deliver protracted, continuous-wave hyperthermia to focal prostate cancer targets identified from representative patient cases. Constraints on power densities, sonication durations and switching speeds imposed by ExAblate hardware and software were incorporated in the models. Preliminary experiments included beamformed sonications in tissue mimicking phantoms under MR temperature monitoring at 3 T (GE Discovery MR750W). Results: Acoustic intensities considered during simulation were limited to ensure mild hyperthermia (T{sub max} < 45 °C) and fail-safe operation of the ExAblate array (spatial and time averaged acoustic intensity I{sub SATA} < 3.4 W/cm{sup 2}). Tissue volumes with therapeutic temperature levels (T > 41 °C) were estimated. Numerical simulations indicated that T > 41 °C was calculated in 13–23 cm{sup 3} volumes for sonications with planar or diverging beam patterns at 0.9–1.2 W/cm{sup 2}, in 4.5–5.8 cm{sup 3} volumes for simultaneous multipoint focus beam patterns at ∼0.7 W/cm{sup 2}, and in ∼6.0 cm{sup 3} for curvilinear (cylindrical) beam patterns at 0.75 W/cm{sup 2}. Focused heating patterns may be practical for treating focal disease in a single posterior quadrant of the prostate and diffused heating patterns may be useful for heating quadrants, hemigland volumes or even bilateral targets. Treatable volumes may be limited by pubic bone heating. Therapeutic temperatures were estimated for a range of physiological parameters, sonication duty cycles and rectal cooling. Hyperthermia specific phasing patterns were implemented on the ExAblate prostate array and continuous-wave sonications (∼0.88 W/cm{sup 2}, 15 min) were performed in tissue-mimicking material with real-time MR-based temperature imaging (PRFS imaging at 3.0 T). Shapes of heating patterns observed during experiments were consistent with simulations. Conclusions: The ExAblate 2100, designed specifically for thermal ablation, can be controlled for delivering continuous hyperthermia in prostate while working within operational constraints.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

A Numerical Simulation of a Single Shock-Accelerated Particle

Particle drag models, which capture macro viscous and pressure effects, have been developed over the years for various flow regimes to enable cost effective simulations of particle-laden flows. The relatively recent derivation by Maxey and Riley has provided an exact equation of motion for spherical particles in a flow field based on the continuum assumption. Many models that have been simplified from these equations have provided reasonable approximations; however, the sensitivity of particle-laden flows to particle drag requires a very accurate model to simulate. To develop such a model, a 2D axisymmetric Navier-Stokes direct numerical simulation of a single particle in a transient, shock-driven flow field was conducted in the hydrocode FLAG. FLAG’s capability to run arbitrary Lagrangian-Eulerian hydrodynamics coupled with solid mechanic models makes it an ideal code to capture the physics of the flow field around and in the particle as it is shock-accelerated – a challenging regime to study. The goal of this work is twofold: to provide a validation for FLAG’s Navier-Stokes and heat diffusion solutions, and to provide a rationale for recent experimental particle drag measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

The Mechanism of First Raindrops Formation in Deep Convective Clouds

The formation of first raindrops in deep convective clouds is investigated. A combination of observational data analysis and 2-D and 3-D numerical bin microphysical simulations of deep convective clouds suggests that the first raindrops form at the top of undiluted or slightly diluted cores. It is shown that droplet size distributions in these regions are wider and contain more large droplets than in diluted volumes. The results of the study indicate that the initial raindrop formation is determined by the basic microphysical processes within ascending adiabatic volumes. It allows one to predict the height of the formation of first raindrops considering the processes of nucleation, diffusion growth and collisions. The results obtained in the study explain observational results reported by Freud and Rosenfeld (2012) according to which the height of first raindrop formation depends linearly on the droplet number concentration at cloud base. The results also explain why a simple adiabatic parcel model can reproduce this dependence. The present study provides a physical basis for retrieval algorithms of cloud microphysical properties and aerosol properties using satellites proposed by Rosenfeld et al. ( 2012). The study indicates that the role of mixing and entrainment in the formation of the first raindrops is not of crucial importance. It is also shown that low variability of effective and mean volume radii along horizontal traverses, as regularly observed by in situ measurements, can be simulated by high-resolution cloud models, in which mixing is parameterized by a traditional 1.5 order turbulence closure scheme.

clouds↗
DOE OSTI2015

Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation

Long-lived nuclear spin states have a relaxation time much longer than the longitudinal relaxation time T{sub 1}. Long-lived states extend significantly the time scales that may be probed with magnetic resonance, with possible applications to transport and binding studies, and to hyperpolarised imaging. Rapidly rotating methyl groups in solution may support a long-lived state, consisting of a population imbalance between states of different spin exchange symmetries. Here, we expand the formalism for describing the behaviour of long-lived nuclear spin states in methyl groups, with special attention to the hyperpolarisation effects observed in {sup 13}CH{sub 3} groups upon rapidly converting a material with low-barrier methyl rotation from the cryogenic solid state to a room-temperature solution [M. Icker and S. Berger, J. Magn. Reson. 219, 1 (2012)]. We analyse the relaxation properties of methyl long-lived states using semi-classical relaxation theory. Numerical simulations are supplemented with a spherical-tensor analysis, which captures the essential properties of methyl long-lived states.

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

Study of CdTe/CdS solar cell at low power density for low-illumination applications

In this paper, we numerically investigate CdTe/CdS PV cell properties using a simulation program Solar Cell Capacitance Simulator in 1D (SCAPS-1D). A simple structure of CdTe PV cell has been optimized to study the effect of temperature, absorber thickness and work function at very low incident power. Objective of this research paper is to build an efficient and cost effective solar cell for portable electronic devices such as portable computers and cell phones that work at low incident power because most of such devices work at diffused and reflected sunlight. In this report, we simulated a simple CdTe PV cell at very low incident power, which gives good efficiency.

14 SOLAR ENERGY↗
DOE OSTI2021

Poisson_CCD: A dedicated simulator for modeling CCDs

A dedicated simulator, Poisson_CCD, has been constructed which models astronomical CCDs by solving Poisson’s equation numerically and simulating charge transport within the CCD. The potentials and free carrier densities within the CCD are self-consistently solved for, giving realistic results for the charge distribution within the CCD storage wells. The simulator has been used to model the CCDs that are being used to construct the LSST digital camera. The simulator output has been validated by comparing its predictions with several different types of CCD measurements, including astrometric shifts, brighter-fatter induced pixel–pixel covariances, saturation effects, and diffusion spreading. The code is open source and freely available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Learning in Modal Space: Solving Time-Dependent Stochastic PDEs Using Physics-Informed Neural Networks

One of the open problems in scientific computing is the long-time integration of nonlinear stochastic partial differential equations (SPDEs), especially with arbitrary initial data. We address this problem by taking advantage of recent advances in scientific machine learning and the spectral dynamically orthogonal (DO) and borthogonal (BO) methods for representing stochastic processes. The recently introduced DO/BO methods reduce the SPDE to solving a system of deterministic PDEs and a system of stochastic ordinary differential equations. Specifically, we propose two new physics-informed neural networks (PINNs) for solving time-dependent SPDEs, namely the neural network (NN)-DO/BO methods. The proposed methods incorporate the DO/BO constraints into the loss function (along with the modal decomposition of the SPDE) with an implicit form instead of generating explicit expressions for the temporal derivatives of the DO/BO modes. Hence, the NN-DO/BO methods can overcome some of the drawbacks of the original DO/BO methods. For example, we do not need the assumption that the covariance matrix of the random coefficients is invertible as in the original DO method, and we can remove the assumption of no eigenvalue crossing as in the original BO method. Moreover, the NN-DO/BO methods can be used to solve time-dependent stochastic inverse problems with the same formulation and same computational complexity as for forward problems. Furthermore, we demonstrate the capability of the proposed methods via several numerical examples, namely: (1) A linear stochastic advection equation with deterministic initial condition: we obtain good results with the proposed methods, while the original DO/BO methods cannot be applied directly in this case. (2) Long-time integration of the stochastic Burgers' equation: we show the good performance of NN-DO/BO methods, especially the effectiveness of the NN-BO approach for such problems with many eigenvalue crossings during the whole time evolution, while the original BO method fails. (3) Nonlinear reaction diffusion equation: we consider both the forward problem and the inverse problems, including very noisy initial point values, to investigate the flexibility of the NN-DO/BO methods in handling inverse and mixed type problems. Taken together, these simulation results demonstrate that the NN-DO/BO methods can be employed to effectively quantify uncertainty propagation in a wide range of physical problems, but future work should address the efficiency issue of PINNs for forward problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Deep vadose zone respiration contributions to CO2 fluxes from a semi-arid floodplain, Vadose Zone Journal: Dataset

This data package provides lists of parameter values presented in the paper “Deep vadose zone respiration contributions to CO2 fluxes from a semi-arid floodplain” by Tokunaga et al., Vadose Zone J. 2016. Each table or figure from that paper that contains numerical information is represented as a sheet within the Excel file. Table 1 lists depth profile values for particle-size, bulk density, and parameters for correlating moisture contents with matric potentials. Table 2 lists soil respiration fluxes reported in other studies of semi-arid environments. Figure 3. Presents representative relations between moisture contents with matric potentials. Figure 4 presents depth profiles on different dates at site TT03 for hydraulic head, matric head, pore space volumetric air fraction, temperature, and the effective CO2 diffusion coefficient. Figure 5a presents the time-dependence of relative water table elevation (relative to the deepest measured depth during the study), daily CO2 flux rates at the soil surface, and soil temperature at a depth of 0.20 m. Figure 5b presents continuous measurements of CO2 flux and soil temperature. Figure 6 presents depth profiles on different dates of CO2 concentrations in the gas phase at the 5 monitoring stations. Figure 7 presents CO2 surface fluxes calculated by the gradient method, comparisons between calculated and measured rates at the soil surface, CO2 fluxes at 2m depth, and the ratio of deep (2 m) to surface CO2 fluxes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

DNS of Hydrodynamic Instabilities of Laminar H2/O2/N2 Flames at Elevated Pressure

The atypical combustion properties of hydrogen have long provided an interest for hydrogen-enriched combustion, emphasized in recent years by increasingly stringent emission regulations. Significant work has been focused on the small hydrocarbon(C1-C3)/hydrogen blends, but much less is known about the effect of hydrogen on heavier hydrocarbon combustion, of interest for the aviation and automotive industry. In this work, we perform direct numerical simulations (DNS) of spherically expanding laminar n-dodecane/H2 flames in a constant-volume vessel at elevated pressure and a range of hydrogen seeding levels. A low Mach number model is used to represent the gas and flame dynamics allowing for a temporally varying, spatially homogeneous pressure field, while also enabling numerical evolution of the system numerically at time step sizes governed by the advective CFL limit rather than acoustic processes. We use an adaptive mesh refinement (AMR) approach to tackle the large separation of scales associated with high pressure premixed flame surfaces propagating in a laboratory-scale closed domain. We incorporate detailed chemistry and transport models for the reacting flow and focus the analysis on the effects of the pressure rise on the flame propagation characteristics and morphology as the hydrogen content is increased. The presence of fast diffusive H2 and the pressure rise results in dramatic thinning of the flame and the potential onset of hydrodyanmic and theromdiffusive instabilities. We assess the potential role of these instabilities on the ability to accurately measure laminar burning speed experimentally based on the mean flame surface propagation speed.

high pressure↗
DOE OSTI2016

FCRD Advanced Reactor (Transmutation) Fuels Handbook

Transmutation of minor actinides such as Np, Am, and Cm in spent nuclear fuel is of international interest because of its potential for reducing the long-term health and safety hazards caused by the radioactivity of the spent fuel. One important approach to transmutation (currently being pursued by the DOE Fuel Cycle Research & Development Advanced Fuels Campaign) involves incorporating the minor actinides into U-Pu-Zr alloys, which can be used as fuel in fast reactors. U-Pu-Zr alloys are well suited for electrolytic refining, which leads to incorporation rare-earth fission products such as La, Ce, Pr, and Nd. It is, therefore, important to understand not only the properties of U-Pu-Zr alloys but also those of U-Pu-Zr alloys with concentrations of minor actinides (Np, Am) and rare-earth elements (La, Ce, Pr, and Nd) similar to those in reprocessed fuel. In addition to requiring extensive safety precautions, alloys containing U, Pu, and minor actinides (Np and Am) are difficult to study for numerous reasons, including their complex phase transformations, characteristically sluggish phasetransformation kinetics, tendency to produce experimental results that vary depending on the histories of individual samples, rapid oxidation, and sensitivity to contaminants such as oxygen in concentrations below a hundred parts per million. Although less toxic, rare-earth elements such as La, Ce, Pr, and Nd are also difficult to study for similar reasons. Many of the experimental measurements were made before 1980, and the level of documentation for experimental methods and results varies widely. It is, therefore, not surprising that little is known with certainty about U-Pu-Zr alloys, particularly those that also contain minor actinides and rare-earth elements. General acceptance of results commonly indicates that there is only a single measurement for a particular property. This handbook summarizes currently available information about U, Pu, Zr, Np, Am, La, Ce, Pr, and Nd and alloys of two or three of these elements. It contains information about phase diagrams and related information (including phases and phase transformations); heat capacity, entropy, and enthalpy; thermal expansion; and thermal conductivity and diffusivity. In addition to presenting information about materials properties, the handbook attempts to provide information about how well the property is known and how much variation exists between measurements. Although it includes some results from models, its primary focus is experimental data. The Handbook is organized in two sections: one with information about the U-Pu-Zr ternary and one with information about other elements and binary and vi ternary alloys in the U-Np-Pu-Am-La-Ce-Pr-Nd-Zr system. Within each section, information about elements is presented first, followed by information about binary alloys, then information about ternary alloys. The order in which the elements in each alloy are mentioned follows the order in the first sentence of this paragraph. Much of the information on the U-Pu-Zr system repeats information from the FCRD Transmutation Fuels Handbook 2015. Most of the other data has been published elsewhere (although scattered throughout numerous references, some quite obscure); however, some data from Idaho National Laboratory is presented here for the first time. As the FCRD programmatic mission evolves, future editions of this handbook will begin to include other advanced reactor fuel designs and compositions. Hence, the title of the handbook will transition to the Advanced Reactor Fuels Handbook.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗