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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

CTH v.13.0

SAND2023-06647O The latest version of the CTH suite of computer codes is a flexible software system designed to treat a wide range of shock wave propagation and material motion phenomena in 1-D, 2-D, or 3-D. CTH has models suitable for most conditions encountered in shock physics including material strength, fracture, distended materials, high explosives, and a variety of boundary conditions. Finite-volume analogs of the Lagrangian equations of momentum and energy conservation are employed with continuous rezoning to construct Eulerian differencing. Adaptive mesh refinement is available for maximizing resolution in regions of interest. Full Lagrangian numerical methods are available for mechanical or structural response.

Schumacher, Shane↗
DOE OSTI2025

PyPTkinetics

This basic research code computes the time-dependent phase transition between two solid crystalline phases under dynamic conditions.

Blaschke, Daniel N.↗
DOE OSTI2025

HALLUFIELD: DETECTING LLM HALLUCINATIONS VIA FIELD-THEORETIC MODELING

A research-focused Python package that implements our hallucination-detection method for large language models(LLMs). The code computes stability signals from LLM predictions across various hyperparameters sweeps and combines free-energy/entropy–style metrics to flag likely hallucinations, with tunable thresholds for batch scoring. The repo includes evaluation scripts, config files, and example notebooks to reproduce benchmark results and ablations; it depends on standard open-source libraries (PyTorch, Hugging Face) and runs on CPU/GPU. The repository examples only use public models/datasets only.

Bhattarai, Manish [Los Alamos National Labs]↗
DOE OSTI2014

Generation of graphite particles by sliding abrasion and their characterization

Characterization of graphite particles (dust) produced by abrasion that would occur in a pebble bed reactor is of interest for reasons of safety, operation, and maintenance. To better understand this abrasion and particle generation, we have built a test apparatus to produce particles by sliding abrasion in a 1% to 5% relative humidity air environment. We have used a commercial-grade graphite in our experiments and have generated size distributions for the abraded particles. We have also fit lognormal functions to those size distributions (for use in computer codes); determined particle shapes; measured temperature and humidity during the tests; measured and calculated wear rates; and measured the surface roughness of both pretest and posttest samples, particle surface areas, pore volumes, and pore volume distributions of particles produced during abrasion of graphite surfaces under different loadings and sliding speeds. The experiments showed that as loading (analogous to pebble depth in the reactor) and sliding speed increase, so do the wear rates and numbers of particles produced, while surface roughness decreases, increases, and then decreases. Brunauer-Emmett-Teller measurements show that abrasion increases surface area from 0.583 m 2 /g in the bulk material to 555 m 2 /g in material abraded at high loading and high sliding speed. Wear rates range from 0.005 to 0.991 g/m per contact site. As a result, the size of the particles observed was <4000 nm. Finally, in all, our research shows that pebble abrasion is a complex process that is not constant during operation and thus should be considered for future work.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Initial study on cross-section generation requirements for a PBR equilibrium core

A Serpent model of the equilibrium core HTR-PM small modular nuclear reactor in China, was developed for use in cross-section preparation studies in order to guide methods development for the Griffin reactor multiphysics application. The model includes detailed isotopics for 10 distinct pebble burnup groups in 126 core zones with unique fuel and moderator temperatures obtained from a coupled neutronics-thermal-fluids equilibrium core calculation using Griffin-Pronghorn. A sensitivity study of the fuel and moderator temperatures for various core regions was performed with the MOOSE stochastic tools. The results show that the uncertainties are, not unexpectedly, dominated by the value of the fluid temperature and that the power level, heat transfer coefficient and effective conduction to neighboring pebbles and fluid constitute, at best, second order effects. The temperature uncertainty range varies from 28 K to 57 K between the core entry and exit planes, respectively, but these values are probably higher. We still have to quantify the significance of these uncertainties in the preparation of cross-sections in future work. In addition, we verified that the effective pebble approximation used in the PEBBED and V.S.O.P. computer codes works well for the preparation of region averaged cross-sections. Nevertheless, there are some discrepancies in the cross-sections when compared to the multi-pebble model, which could affect the prediction of peak values and the depletion calculation. We conclude that is highly desirable for future studies with Griffin to be able to handle both the 'effective' pebble approximation and the multi-pebble approach for various pebble burnup groups. This enables Griffin users with the flexibility to perform higher-fidelity studies. Finally, we initiated the preparation of cross-sections for various core regions from the full core Serpent reference model. We quantified the differences in 26 group cross-sections from infinite domain models versus the full core approach. These reference cross-sections will serve to verify the double heterogeneity, self-shielding, and spectrum-correction methods in Griffin. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Investigation of Application Specific k eff Sensitivities to Existing and New Subcritical and Critical Experiments

Integral subcritical and critical experiments are essential in providing validation of computational codes which improve confidence in the predicted k eff results of specific applications. This work discusses the relevance of existing integral subcritical and critical experiments to applications far reaching across the nuclear complex. These applications include Travelling Wave Reactors (TWR), Kilopower Reactor Using Stirling Technology (KRUSTY), and plutonium reflected by tantalum. The primary goal of this work is to improve knowledge of energy-dependent cross-section sensitivities for specific applications, identify nuclear data gaps in existing experiments, enable an optimized design of new experiments to address these gaps, and design practical new experiments that could be executed at the National Criticality Experiments Research Center (NCERC) that have a high-value to these applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

co2amp: A software program for modeling the dynamics of ultrashort pulses in optical systems with CO 2 amplifiers

We describe a computer code for simulating the amplification of ultrashort mid-infrared laser pulses in CO 2 amplifiers and their propagation through arbitrary optical systems. This code is based on a comprehensive model that includes an accurate consideration of the CO 2 active medium and a physical optics propagation algorithm, and takes into account the interaction of the laser pulse with the material of the optical elements. Finally, the application of the code for optimizing an isotopic regenerative amplifier is described.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Optimizing hybrid rotational femtosecond/picosecond coherent anti-Stokes Raman spectroscopy in nitrogen at high pressures and temperatures

We demonstrate the use of hybrid rotational femtosecond/picosecond (fs/ps) coherent anti-Stokes Raman spectroscopy (HR-CARS) as a technique for temperature measurements in nitrogen gas at high pressures and temperatures. A broadband pulse shaper-adjusted 42 fs pulse interacts with a narrow-bandwidth, frequency-upconverted 5.5 ps pulse in a cell containing N 2 at pressures of 1–70 atm and temperatures of 300–1000 K. A computational code is used to model spectra and fit experimental results to obtain best-fit temperatures. We demonstrate good qualitative fits as well as good accuracy and precision between thermocouple measured and best-fit temperatures over the explored pressure and temperature regimes. The overall average percentage temperature difference between thermocouple measurements and best-fit temperatures is − <#comment/> 0 . 3 % <#comment/> with a standard deviation of 7.1%, showing the suitability of HR-CARS for characterizing high-pressure and -temperature environments.

Torge Mecker, Nils (ORCID:0000000238977170)↗
DOE OSTI1991

Nuclear Safety [Vol. 32, No. 4, October-December 1991]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 477 Report on the International Symposium on the Use of Probabilistic Safety Assessment for Operational Safety—PSA '91, S. Chakraborty and M. Khatib-Rahbar; 488 Good Relationships Are Pivotal in Nuclear Data Bases, A. S. Heger and B. V. Koen; 494 Technical Note: The Interagency Nuclear Safety Review Panel's Evaluation of the Ulysses Space Mission, J. A. Sholtis, Jr., D. A. Huff, L. B. Gray, N. P. Klug, and R. O. Winchester; ACCIDENT ANALYSIS: 502 The Severe Accident Analysis Program for the Savannah River Nuclear Production Reactors, M. L. Hyder; CONTROL AND INSTRUMENTATION: 511 A Framework for Selecting Suitable Control Technologies for Nuclear Power Plant Systems, R. A. Kisner; DESIGN FEATURES: 521 Containments for Gas-Cooled Power Reactors History and Status, P.W. Williams; ENVIRONMENTAL EFFECTS: 537 Indoor Radon: A Natural Risk, N. H. Harley and J.H. Harley; On the Importance of the Atmospheric Parameters in the Fission Products Distribution of a Severe Reactor Accident, M. C. Barla and A. R. Bayulken; Book Review: Health Effects of Exposure to Low Levels of Ionizing Radiation BEIR V, C. R. Richmond; WASTE AND SPENT FUEL MANAGEMENT: 555 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver OPERATING EXPERIENCES: 567 Effects of Component Aging on the Westhinghouse Control Rod Drive System, K. Sullivan and W. Gunther; 577 Reactor Shutdown Experience, Compiled by J. W. Cletcher, 580 Selected Safety-Related Events, Compiled by G. A. Murphy; 582 Operating U 8 Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver, RECENT DEVELOPMENTS: 596 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 610 Reports, Standards, and Safety Guides, D. S. Queener; 614 Proposed Rule Changes as of June 30, 1991; ANNOUNCEMENTS: 520 Workshop on PC PRAISE: A Probabilistic Fracture Mechanics Personal Computer Code for Nuclear Power Plant Piping Reliability Assessment; 536 Fifth Workshop on Nuclear Power Plant Containment Integrity; 624 New OECD "International Information System on Occupational Exposure (ISOE)"; 625 Harvard School of Public Health Announces Short Courses; 625 Eighth Power Plant Dynamics, Control and Testing Symposium; 626 Second Training Course on Off-Site Emergency Planning and Response for Nuclear Accidents; 618 The Authors; 622 Reviewers of Nuclear Safety, Vol 32.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Initial MCNP6 Release Overview - MCNP6 Beta 3

MCNP6 is simply and accurately described as the merger of MCNP5 and MCNPX capabilities, but it is much more than the sum of these two computer codes. MCNP6 is the result of five years of effort by the MCNP5 and MCNPX code development teams.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Criticality Safety Validation of SCALE 6.1 (Revised)

The computational bias of criticality safety computer codes must be established through the validation of the codes to critical experiments. A large collection of suitable experiments has been vetted by the International Criticality Safety Benchmark Experiment Program (ICSBEP) and made available in the International Handbook of Evaluated Criticality Safety Benchmark Experiments (IHECSBE). A total of more than 350 cases from this reference have been prepared and reviewed within the Verified, Archived Library of Inputs and Data (VALID) maintained by the Reactor and Nuclear Systems Division at Oak Ridge National Laboratory. The performance of the KENO V.a and KENO-VI Monte Carlo codes within the SCALE 6.1 code system with ENDF/B-VII.0 cross-section data in 238-group and continuous energy is assessed using the VALID models of benchmark experiments. The TSUNAMI tools for sensitivity and uncertainty analysis are utilized to examine some systems further in an attempt to identify potential causes of unexpected results. The critical experiments available for validation of the KENO V.a code cover eight different broad categories of systems. These systems use a range of fissile materials including a range of uranium enrichments, various plutonium isotopic vectors, and mixed uranium/plutonium oxides. The physical form of the fissile material also varies and is represented as metal, solutions, or arrays of rods or plates in a water moderator. The neutron energy spectra of the systems also vary and cover both fast and thermal spectra. Over 300 of the total cases used utilize the KENO V.a code. The critical experiments available for the validation of the KENO-VI code cover three broad categories of systems. The fissile materials in the systems vary and include high- and intermediate-enrichment uranium and mixed uranium/plutonium oxides. The physical form of the fissile material is either metal or rod arrays in water. As with KENO V.a, both fast and thermal neutron energy spectra are represented in the systems considered. The results indicate generally good performance of both the KENO V.a and KENO-VI codes across the range of systems analyzed. The bias of calculated k eff from expected values is less than 0.9% Δk in all cases. All eight categories of experiments show biases of less than 0.5% Δk in KENO V.a with the exception of intermediate enrichment metal systems using the 238-group library. The continuous energy library generally manifests lower biases than the multigroup data. The KENO-VI results show slightly larger biases, though this may primarily be the result of modeling systems with more geometric complexity, which are more difficult to describe accurately, even with a generalized geometry code like KENO-VI. Several additional conclusions can be drawn from the results of this validation effort. These conclusions include that the TSUNAMI tools can be used successfully to explain the cause of aberrant results, that some evaluations in the IHECSBE should be updated to provide more rigorous expected k eff values and uncertainties, and that potential cross-section errors can be identified by detailed review of the results of this validation. It also appears that the overall cross-section uncertainty as quantified through the SCALE covariance library is overestimated. Overall, the KENO V.a and KENO-VI codes are shown to provide consistent, low-bias results for a wide range of physical systems of potential interest in criticality safety applications.

Marshall, William (BJ) J.↗
DOE OSTI2013

Electric field generated by transition radiation of a short bunch

A frequently used method for generation of terahertz wavelengths is based on transition radiation. A relativistic beam impinges a metal foil at 45 degrees and the radiation is collected and focused onto an image plane at 90 degrees relative to the beam orbit. While there are computer codes available to calculate the electric field at the focus, it is desirable to have a simple theory that would allow a quick estimate of the fields and provide scaling relations between the beam parameters and those of the radiation. The goal of this paper is to develop such a theory. It follows the original calculations done by Lebedev and Loos and extends those from the frequency to the time domain. While in reality the transport line for the THz radiation may have several focusing elements, to simplify analysis, we consider the setup shown in Fig. 1 with a single lens that provides the focusing. The numerical aperture of the lens $\theta_a$ is assumed to be much larger than the inverse gamma factor, $\theta_a \gg 1/\gamma$.

ACCPHY↗
DOE OSTI2013

Evaluation of Annual Efficiencies of High Temperature Central Receiver Concentrated Solar Power Plants With Thermal Energy Storage

The current study has examined four cases of a central receiver concentrated solar power plant with thermal energy storage using the DELSOL and SOLERGY computer codes. The current state-of-the-art base case was compared with a theoretical high temperature case which was based on the scaling of some input parameters and the estimation of other parameters based on performance targets from the Department of Energy SunShot Initiative. This comparison was done for both current and high temperature cases in two configurations: a surround field with an external cylindrical receiver and a north field with a single cavity receiver. There is a fairly dramatic difference between the design point and annual average performance, especially in the solar field and receiver subsystems, and also in energy losses due to the thermal energy storage being full to capacity. Additionally, there are relatively small differences (<2%) in annual average efficiencies between the Base and High Temperature cases, despite an increase in thermal to electric conversion efficiency of over 8%. This is due the increased thermal losses at higher temperature and operational losses due to subsystem start-up and shut-down. Thermal energy storage can mitigate some of these losses by utilizing larger thermal energy storage to ensure that the electric power production system does not need to stop and re-start as often, but solar energy is inherently transient. Economic and cost considerations were not considered here, but will have a significant impact on solar thermal electric power production strategy and sizing.

Ehrhart, Brian David↗
DOE OSTI2013

Nonperturbative analysis of field theories quantized on the light cone (Final Scientific Report for ER41087)

The primary focus of the work was the development of methods for the nonperturbative solution of quantum chromodynamics (QCD) in a form that yields wave functions for the eigenstates, from which hadronic properties can be computed. The principal approach was to use a light-front Hamiltonian formulation. In light-front coordinates, t+z/c plays the role of time, with t the ordinary time, z a space direction, and c the speed of light. This leads to a relativistic formulation that retains useful characteristics of nonrelativistic treatments. A bound state of many constituents can be represented by wave functions that define probabilities for each possible arrangement of internal momenta. These functions satisfy integral equations that can be approximated numerically to yield a matrix representation. The matrix problem can be solved by iterative methods. The approximate wave functions can then be used to compute properties of the bound state. Methods have been developed for model theories and gauge theories, including quantum electrodynamics and theories that are supersymmetric. The work has required the development of new numerical algorithms and computer codes for singular integral equations and eigenvalue problems. A key aspect of the work is the construction of practical procedures for nonperturbative regularization and renormalization. Two methods of regularization have been studied. One is the addition of heavy Pauli--Villars (PV) particles to the Lagrangian, with their metrics and couplings tuned to provide the necessary cancellations in the regularization. The other method of regularization is the addition of supersymmetric partners, to extend a theory to a supersymmetric form. The supersymmetric theories were solved by the supersymmetric discrete light-cone quantization (SDLCQ) method. The most significant accomplishments of the project were the SDLCQ calculation of direct evidence for a Maldacena duality conjecture, construction of a practical light-front quantization for QED in an arbitrary covariant gauge, and invention of the light-front coupled-cluster method, designed to eliminate the need for Fock-space truncations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

LG Solid Oxide Fuel Cell (SOFC) Model Development

This report presents a summary of the work performed by LG Fuel Cell Systems Inc. during the project LG Solid Oxide Fuel Cell (SOFC) Model Development (DOE Award Number: DE-FE0000773) which commenced on October 1, 2009 and was completed on March 31, 2013. The aim of this project is for LG Fuel Cell Systems Inc. (formerly known as Rolls-Royce Fuel Cell Systems (US) Inc.) (LGFCS) to develop a multi-physics solid oxide fuel cell (SOFC) computer code (MPC) for performance calculations of the LGFCS fuel cell structure to support fuel cell product design and development. A summary of the initial stages of the project is provided which describes the MPC requirements that were developed and the selection of a candidate code, STAR-CCM+ (CD-adapco). This is followed by a detailed description of the subsequent work program including code enhancement and model verification and validation activities. Details of the code enhancements that were implemented to facilitate MPC SOFC simulations are provided along with a description of the models that were built using the MPC and validated against experimental data. The modeling work described in this report represents a level of calculation detail that has not been previously available within LGFCS.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2013

Simulation of Scraping on the AGS Beam Dump

The AGS beam dump is described in reference [1]. Because there is no fast dipole magnet to kick the beam into the dump, the dump is used as a beam scraper into which circulating beam is moved over a period of many turns around the machine. To get a better understanding of what happens during scraping, a relatively simple model and computer code have been developed to simulate the process. We report here on the simulation results for protons at the nominal extraction kinetic energy of 22.874 GeV and for gold ions (Au77+) at the nominal extraction kinetic energy of 8.86 GeV per nucleon.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Microstructure and Property Evolution in Advanced Cladding and Duct Materials Under Long-Term and Elevated Temperature Irradiation: Modeling and Experimental Investigation

The in-service degradation of reactor core materials is related to underlying changes in the irradiated microstructure. During reactor operation, structural components and cladding experience displacement of atoms by collisions with neutrons at temperatures at which the radiation-induced defects are mobile, leading to microstructure evolution under irradiation that can degrade material properties. At the doses and temperatures relevant to fast reactor operation, the microstructure evolves by dislocation loop formation and growth, microchemistry changes due to radiation-induced segregation, radiation-induced precipitation, destabilization of the existing precipitate structure, and in some cases, void formation and growth. These processes do not occur independently; rather, their evolution is highly interlinked. Radiation-induced segregation of Cr and existing chromium carbide coverage in irradiated alloy T91 track each other closely. The radiation-induced precipitation of Ni-Si precipitates and RIS of Ni and Si in alloys T91 and HCM12A are likely related. Neither the evolution of these processes nor their coupling is understood under the conditions required for materials performance in fast reactors (temperature range 300-600°C and doses beyond 200 dpa). Further, predictive modeling is not yet possible as models for microstructure evolution must be developed along with experiments to characterize these key processes and provide tools for extrapolation. To extend the range of operation of nuclear fuel cladding and structural materials in advanced nuclear energy and transmutation systems to that required for the fast reactor, the irradiation-induced evolution of the microstructure, microchemistry, and the associated mechanical properties at relevant temperatures and doses must be understood. Predictive modeling relies on an understanding of the physical processes and also on the development of microstructure and microchemical models to describe their evolution under irradiation. This project will focus on modeling microstructural and microchemical evolution of irradiated alloys by performing detailed modeling of such microstructure evolution processes coupled with well-designed in situ experiments that can provide validation and benchmarking to the computer codes. The broad scientific and technical objectives of this proposal are to evaluate the microstructure and microchemical evolution in advanced ferritic/martensitic and oxide dispersion strengthened (ODS) alloys for cladding and duct reactor materials under long-term and elevated temperature irradiation, leading to improved ability to model structural materials performance and lifetime. Specifically, we propose four research thrusts, namely Thrust 1: Identify the formation mechanism and evolution for dislocation loops with Burgers vector of a<100> and determine whether the defect microstructure (predominately dislocation loop/dislocation density) saturates at high dose. Thrust 2: Identify whether a threshold irradiation temperature or dose exists for the nucleation of growing voids that mark the beginning of irradiation-induced swelling, and begin to probe the limits of thermal stability of the tempered Martensitic structure under irradiation. Thrust 3: Evaluate the stability of nanometer sized Y- Ti-O based oxide dispersion strengthened (ODS) particles at high fluence/temperature. Thrust 4: Evaluate the extent to which precipitates form and/or dissolve as a function of irradiation temperature and dose, and how these changes are driven by radiation induced segregation and microchemical evolutions and determined by the initial microstructure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Geoelectrical Measurement of Multi-Scale Mass Transfer Parameters

Mass transfer affects contaminant transport and is thought to control the efficiency of aquifer remediation at a number of sites within the Department of Energy (DOE) complex. An improved understanding of mass transfer is critical to meeting the enormous scientific and engineering challenges currently facing DOE. Informed design of site remedies and long-term stewardship of radionuclide-contaminated sites will require new cost-effective laboratory and field techniques to measure the parameters controlling mass transfer spatially and across a range of scales. In this project, we sought to capitalize on the geophysical signatures of mass transfer. Previous numerical modeling and pilot-scale field experiments suggested that mass transfer produces a geoelectrical signature—a hysteretic relation between sampled (mobile-domain) fluid conductivity and bulk (mobile + immobile) conductivity—over a range of scales relevant to aquifer remediation. In this work, we investigated the geoelectrical signature of mass transfer during tracer transport in a series of controlled experiments to determine the operation of controlling parameters, and also investigated the use of complex-resistivity (CR) as a means of quantifying mass transfer parameters in situ without tracer experiments. In an add-on component to our grant, we additionally considered nuclear magnetic resonance (NMR) to help parse mobile from immobile porosities. Including the NMR component, our revised study objectives were to: 1. Develop and demonstrate geophysical approaches to measure mass-transfer parameters spatially and over a range of scales, including the combination of electrical resistivity monitoring, tracer tests, complex resistivity, nuclear magnetic resonance, and materials characterization; and 2. Provide mass-transfer estimates for improved understanding of contaminant fate and transport at DOE sites, such as uranium transport at the Hanford 300 Area. To achieve our objectives, we implemented a 3-part research plan involving (1) development of computer codes and techniques to estimate mass-transfer parameters from time-lapse electrical data; (2) bench-scale experiments on synthetic materials and materials from cores from the Hanford 300 Area; and (3) field demonstration experiments at the DOE’s Hanford 300 Area. In a synergistic add-on to our workplan, we analyzed data from field experiments performed at the DOE Naturita Site under a separate DOE SBR grant, on which PI Day-Lewis served as co-PI. Techniques developed for application to Hanford datasets also were applied to data from Naturita. 1. Introduction The Department of Energy (DOE) faces enormous scientific and engineering challenges associated with the remediation of legacy contamination at former nuclear weapons production facilities. Selection, design and optimization of appropriate site remedies (e.g., pump-and-treat, biostimulation, or monitored natural attenuation) requires reliable predictive models of radionuclide fate and transport; however, our current modeling capabilities are limited by an incomplete understanding of multi-scale mass transfer—its rates, scales, and the heterogeneity of controlling parameters. At many DOE sites, long “tailing” behavior, concentration rebound, and slower-than-expected cleanup are observed; these observations are all consistent with multi-scale mass transfer [Haggerty and Gorelick, 1995; Haggerty et al., 2000; 2004], which renders pump-and-treat remediation and biotransformation inefficient and slow [Haggerty and Gorelick, 1994; Harvey et al., 1994; Wilson, 1997]. Despite the importance of mass transfer, there are significant uncertainties associated with controlling parameters, and the prevalence of mass transfer remains a point of debate [e.g., Hill et al., 2006; Molz et al., 2006] for lack of experimental methods to verify and measure it in situ or independently of tracer breakthrough. There is a critical need for new field-experimental techniques to measure mass transfer in-situ and estimate multi-scale and spatially variable mass-transfer parameters. The current lack of such techniques results in large parameter uncertainty, which in turn translates into enormous prediction uncertainty and cost to DOE. In this project, we considered three hydrogeophysical approaches for providing information about mass-transfer parameters: (1) the combination of electrical-resistivity tomography (ERT) and ionic tracer experiments to explore rates of exchange and relative mobile and immobile porosities; (2) complex resistivity (CR) measurements to infer the distribution of diffusive length scales active in a porous medium; and (3) nuclear magnetic resonance (NMR) to estimate mobile and immobile porosity.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

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