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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Impact of increased smoothing by spectral dispersion bandwidth on stimulated Brillouin scattering in laser driven Hohlraums

Experiments were conducted at the National Ignition Facility (NIF) to investigate the impact of increased smoothing by spectral dispersion (SSD) bandwidth on the production of stimulated Brillouin scattering (SBS) within an indirect-drive inertial confinement fusion (ICF) Hohlraum. This was done in a subscale gold Hohlraum driven by 192 laser beams depositing 1.1 MJ of energy. The laser bandwidth was increased from 45 to 118 GHz (before frequency tripling) on the 30° and 50° cones, where backscatter could be measured using the Full Aperture Backscatter Station (FABS). It was expected that this 2.6-fold increase in bandwidth would suppress SBS generated within the Hohlraum plasma and lower the backscattered SBS energy on the 50° cones by over a factor of four. Experimental results, however, show that this SSD change only reduced the 50° cone SBS during the main capsule drive by -18±31% and -4.5±7.8% over the entire pulse. This is small compared to expected shot-to-shot SBS reproducibility (∼30%), such that the result can be considered within normal performance fluctuations. New 3D parallel paraxial code (pF3D) simulations, accounting for beam refractive intensification reproduce this result, suggesting that closer to 300 GHz of bandwidth would have been required to mitigate SBS to the expected level. Delivering such a high bandwidth is not feasible at NIF when operating at high peak power and would potentially prevent NIF’s ability to use cross-beam energy transfer (CBET) for implosion symmetry tuning.

Physics↗
NASA NTRS1995

NAS Experiences of Porting CM Fortran Codes to HPF on IBM SP2 and SGI Power Challenge

Current Connection Machine (CM) Fortran codes developed for the CM-2 and the CM-5 represent an important class of parallel applications. Several users have employed CM Fortran codes in production mode on the CM-2 and the CM-5 for the last five to six years, constituting a heavy investment in terms of cost and time. With Thinking Machines Corporation's decision to withdraw from the hardware business and with the decommissioning of many CM-2 and CM-5 machines, the best way to protect the substantial investment in CM Fortran codes is to port the codes to High Performance Fortran (HPF) on highly parallel systems. HPF is very similar to CM Fortran and thus represents a natural transition. Conversion issues involved in porting CM Fortran codes on the CM-5 to HPF are presented. In particular, the differences between data distribution directives and the CM Fortran Utility Routines Library, as well as the equivalent functionality in the HPF Library are discussed. Several CM Fortran codes (Cannon algorithm for matrix-matrix multiplication, Linear solver Ax=b, 1-D convolution for 2-D datasets, Laplace's Equation solver, and Direct Simulation Monte Carlo (DSMC) codes have been ported to Subset HPF on the IBM SP2 and the SGI Power Challenge. Speedup ratios versus number of processors for the Linear solver and DSMC code are presented.

Saini, Subhash↗
DOE OSTI2016

DEVELOPMENT AND TESTING OF FAULT-DIAGNOSIS ALGORITHMS FOR REACTOR PLANT SYSTEMS

Argonne National Laboratory is further developing fault diagnosis algorithms for use by the operator of a nuclear plant to aid in improved monitoring of overall plant condition and performance. The objective is better management of plant upsets through more timely, informed decisions on control actions with the ultimate goal of improved plant safety, production, and cost management. Integration of these algorithms with visual aids for operators is taking place through a collaboration under the concept of an operator advisory system. This is a software entity whose purpose is to manage and distill the enormous amount of information an operator must process to understand the plant state, particularly in off-normal situations, and how the state trajectory will unfold in time. The fault diagnosis algorithms were exhaustively tested using computer simulations of twenty different faults introduced into the chemical and volume control system (CVCS) of a pressurized water reactor (PWR). The algorithms are unique in that each new application to a facility requires providing only the piping and instrumentation diagram (PID) and no other plant-specific information; a subject-matter expert is not needed to install and maintain each instance of an application. The testing approach followed accepted procedures for verifying and validating software. It was shown that the code satisfies its functional requirement which is to accept sensor information, identify process variable trends based on this sensor information, and then to return an accurate diagnosis based on chains of rules related to these trends. The validation and verification exercise made use of GPASS, a one-dimensional systems code, for simulating CVCS operation. Plant components were failed and the code generated the resulting plant response. Parametric studies with respect to the severity of the fault, the richness of the plant sensor set, and the accuracy of sensors were performed as part of the validation exercise. The background and overview of the software will be presented to give an overview of the approach. Following, the verification and validation effort using the GPASS code for simulation of plant transients including a sensitivity study on important parameters will be presented

Fault Diagnosis Algorithm↗
DOE OSTI2026

PPPL Report on Reduced Modeling of Fusion Alpha Transport in ARC Burning Plasmas

We are reporting on the modeling of fusion alpha particle transport in the planned ARC fusion device being designed by the CFS (Commonwealth Fusion Systems: https://cfs.energy). The ARC tokamak is designed to operate in a burning-plasma regime characterized by a substantial population of fusion-born alpha particles. Alfvén eigenmode (AE) stability is assessed both analytically and numerically, incorporating alpha-particle drive, ion Landau, and radiative damping from thermal species and collisional damping from trapped electrons. Regions of unstable and near-threshold AE activity are mapped across ARC’s operational parameter space. Linear stability analysis with NOVA indicates multiple, often marginally unstable AEs, extending to toroidal mode numbers up to n= 30. The present report focuses on the ARC flat-top operating point prior to the sawtooth event. Alpha-particle transport on timescales exceeding the neoclassical slowing-down time is assessed using the NUBEAM module [1][2] of the TRANSP code [3], employing transport coefficients derived from the RBQ quasilinear modeling (cf. Appendix B). These global simulations identify favorable and unfavorable operating regimes with respect to alpha confinement, pressure redistribution, and overall alpha-heating efficiency. We also evaluate additional transport mechanisms—including neoclassical tearing mode (TM)–induced stochasticity, sawtooth-driven redistribution, and toroidal-field ripple using the kick model (cf. Appendix C) which makes use of the guiding-center code ORBIT, see Section 5. The kick model is integrated into TRANSP to enable self-consistent predictions of alpha-driven current formation and sustainment within the ARC scenario. Sensitivity scans are performed over the mode frequency, rational-surface alignment, island width, mode amplitude, and proximity of the limiter to the plasma. Our study provides an initial, physics-based guidance for machine design, operational planning, and equilibrium control, ensuring adequate alpha confinement and robust self-heating performance in ARC. Our simulations mostly targeted worst case scenarios, e.g. for TMs and sawteeth. Overall, we expect benign effects for the ARC scenario investigated in this work on fusion alpha confinement and losses in the presence of AEs, tearing modes and sawteeth. This report addresses three thrusts identified at the outset. The first thrust focuses on analytic estimates of the parametric dependencies of EP relaxation based on local AE stability simulations (Section 3). The second thrust involves global evaluations of AE stability using the NOVA, RBQ, and NUBEAM codes (Section 4). Finally, we investigate alpha-particle transport driven by low-frequency instabilities associated with sawteeth and tearing modes (Section 5).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Multiple Degradation Mechanisms in Reinforced Concrete Structures, Modeling and Risk Analysis

The overarching goal of this project is to complement ongoing Department of Energy (DOE) Light Water Reactor Sustainability (LWRS)-funded Grizzly concrete modeling development efforts by providing improved multi-physics models for incorporation into the Grizzly and BlackBear codes. Objectives of this work identified at the outset of this project include: 1. Coupling between mechanical damage and transport processes. The mechanical damage will be characterized by nonlinear mechanical constitutive models appropriate for concrete used in nuclear power plants (NPPs). 2. Improved representation of the coupling among the transport process, building on the current moisture and thermal transport models in Grizzly. The parameters for coupling among heat and mass transport in the multi-physics model will be experimentally determined. 3. Coupling among different scale levels of concrete constituents, fine and coarse aggregates, cement paste, hydration products, and pore structure. 4. Probabilistic analysis of the random nature of the heterogeneous concrete structure and the environmental factors (ambient temperature and humidity) and their multiple effects on concrete deterioration. 5. Benchmark verification, validation and uncertainty quantification of the thermo-hygro- chemo-mechanical (THCM) concrete formulation. The end goal of this work was to provide a comprehensive and robust simulation capability that can be applied at the engineering scale for analysis of realistic deterioration scenarios in NPP concrete structures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Comparative modelling of the coupled thermal–hydraulic-mechanical (THM) processes in a heated bentonite pellet column with hydration

For the deep geological disposal of high-level radioactive waste in argillaceous rocks, the heat production of the waste is an important driver for thermal–hydraulic-mechanical (THM)-coupled processes. These THM processes influence the properties and conditions of the near field that in many repository designs contains bentonite as a clay buffer. One task in the DECOVALEX-2015 (DEvelopment of COupled models and their VALidation against Experiments) project was the modelling of a heated bentonite column (Villar et al. in Long-term THM tests reports: THM cells for the HE-E test: update of results until February 2014. Deliverable-no: D2.2-7.3. CIEMAT Technical Report IEMAT/DMA/2G210/03/2014, 2014) in preparation for the in situ heater experiment HE-E at the underground rock laboratory Mont Terri. DECOVALEX is an international cooperative project that focuses on the development and validation of mathematical models for simulating such coupled processes associated with disposal in deep geological repositories. Eight modelling teams developed their own THM-coupled models for the bentonite column experiment, using six different simulation codes. Each of the teams individually calibrated the THM parameters for the bentonite material. The eight resulting parameter sets agree well and allow a satisfactory reproduction of the TH measurements by all models. The modelling results for the evolution of temperature and relative humidity over time at three sensors in the bentonite column are in good agreement between the teams and with the measured data. Also, changes of the temperature due to modifications of the insulation and the adjustment of the heating power during the course of the experiment are well reproduced. The models were thus able to reproduce the main physical processes of the experiment, both for vapour-dominated diffusion during the heating phase and combined liquid and vapour transport during a subsequent heating and hydration phase. Lastly, based on the parameter sets, the teams predict a penetration of the water infiltration front in the 48-cm column filled with bentonite pellets to a depth between 25 and 35 cm over the 15,000 h (i.e. over 20 months) of the hydration phase of the experiment.

58 GEOSCIENCES↗
DOE OSTI2018

Benchmarking and validation of global model code for negative hydrogen ion sources

Benchmarking and validation are prerequisites for using simulation codes as predictive tools. In this work, we have developed a Global Model for Negative Hydrogen Ion Source (GMNHIS) and performed benchmarking of the GMNHIS against another independently developed code, Global Enhanced Vibrational Kinetic Model (GEVKM). This is the first study to propose a quite comprehensive benchmarking test of this kind for models of negative hydrogen ion sources (NHIS), and excellent agreements have been achieved for collisional energy loss per electron-ion pair created, electron number density, electron temperature, densities of H$^{+}_{3}$ and H$^{+}_{2}$ ions, and densities of H(n = 1–3) atoms. Very small discrepancies in number densities of H - ions and H + ions, as well as the vibrational distribution function of hydrogen molecules, can be attributed to the differences in the chemical reactions datasets. The GEVKM includes additional chemical reactions that are more important at high pressures. Moreover, we validated the GMNHIS against experimental data obtained in an electron cyclotron resonance discharge used for H - production. The model qualitatively (and even quantitatively for certain conditions) reproduces the experimental H - number density. The H - number density as a function of pressure first increases at pressures below 1.6 Pa and then saturates for higher pressures. This dependence was analyzed by evaluating contributions from different reaction pathways to the creation and loss of the H - ions. The developed codes can be used for predicting the H - production, improving the performance of NHIS, and ultimately optimizing the parameters of negative ion beams for fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

ASC-ATDM Performance Portability Requirements for 2015-2019

This report outlines the research, development, and support requirements for the Advanced Simulation and Computing (ASC ) Advanced Technology, Development, and Mitigation (ATDM) Performance Portability (a.k.a., Kokkos) project for 2015 - 2019 . The research and development (R&D) goal for Kokkos (v2) has been to create and demonstrate a thread - parallel programming model a nd standard C++ library - based implementation that enables performance portability across diverse manycore architectures such as multicore CPU, Intel Xeon Phi, and NVIDIA Kepler GPU. This R&D goal has been achieved for algorithms that use data parallel pat terns including parallel - for, parallel - reduce, and parallel - scan. Current R&D is focusing on hierarchical parallel patterns such as a directed acyclic graph (DAG) of asynchronous tasks where each task contain s nested data parallel algorithms. This five y ear plan includes R&D required to f ully and performance portably exploit thread parallelism across current and anticipated next generation platforms (NGP). The Kokkos library is being evaluated by many projects exploring algorithm s and code design for NGP. Some production libraries and applications such as Trilinos and LAMMPS have already committed to Kokkos as their foundation for manycore parallelism an d performance portability. These five year requirements includes support required for current and antic ipated ASC projects to be effective and productive in their use of Kokkos on NGP. The greatest risk to the success of Kokkos and ASC projects relying upon Kokkos is a lack of staffing resources to support Kokkos to the degree needed by these ASC projects. This support includes up - to - date tutorials, documentation, multi - platform (hardware and software stack) testing, minor feature enhancements, thread - scalable algorithm consulting, and managing collaborative R&D.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Final CRADA Report – NFE-21-08693

TAE Technologies is developing a magnetic fusion energy concept known as the beam-driven field-reversed configuration (FRC) with the ultimate goal of developing a reactor for commercial electricity production capable of burning aneutronic pB11 fuel. To achieve the high plasma temperatures this requires, auxiliary radiofrequency (RF) heating will likely be needed. High Harmonic Fast Wave (HHFW) heating has been identified as a candidate RF heating scheme to overcome the unique challenges posed to RF heating by the FRC, including the large distance from the plasma edge to the last closed flux surface and a magnetic field profile with strength decreasing from edge to core and reversing sign at a null point inside the plasma. The purpose of this project was to develop the experimental capabilities to test HHFW on TAE’s C-2W device through the design of a phased array antenna and accompanying matching network. The design was performed by ORNL and informed by experiments with a prototype four-strap phased antenna-array that was manufactured and installed on the LArge Plasma Device (LAPD) at UCLA and simulations conducted with the Petra-M code under the purview of a previous INFUSE grant. The ORNL team completed the conceptual design of the antenna and matching network which was then handed off to the TAE Mechanical Design team. The design was then iterated on to ensure changes to the mechanical design did not interfere with the RF performance. This process is now complete, and, with mechanical design in hand, TAE is proceeding with plans for final integration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2016

Investigating Global Ion and Neutral Atom Populations with IBEX and Voyager

The main objective of this project was to investigate pickup ion (PUI) production in the solar wind and heliosheath (the region between the termination shock and the heliopause) and compute the distributed energetic neutral atom fluxes throughout the helioshpere. The simulations were constrained by comparing the model output against observations from Ulysses, New Horizons, Voyager 1 and 2, and IBEX space probes. As evidenced by the number of peer reviewed journal publications resulting from the project (13 plus three submitted) and their citation rate (156 citations over three years), the project has made a lasting contribution to the field. The outcome is a significant improvement of our understanding of the pickup ion production and distribution in the distant heliosphere. The team has accomplished the entire set of tasks A-H set forth in the proposal. Namely, the transport modeling framework has been augmented with two populations of pickup ions (PUIs), the boundary conditions for the plasma and interstellar neutral hydrogen were verified against Ulysses and New Horizons PUI and an optimal set of velocity diffusion parameters established. The multi-component fluxes of PUIs were computed and isotropic velocity distributions generated for each cell in the computer simulation that covered the heliosphere from 1.5 AU to the heliopause. The distributions were carefully compared with in situ measurements at 3 AU (Ulysses), 12 AU (New Horizons), and 80-90 AU (Voyager 1 and 2) as well as those inferred from ENA fluxes measured by Cassini and IBEX (Wu et al., 2016). Some examples of modeldata comparison are shown in Figure 1. We have used coupled MHD-plasma and kinetic-neutral code to investigate the likely range of plasma and magnetic field parameters in the local interstellar medium (LISM), based on the assumption that the shape of the IBEX ribbon could be used to determine the orientation of the interstellar magnetic field. While the magnetic field is believed to be oriented toward the center of the ribbon, constraining its strength requires comparing the model-predicted angular diameter and circularity of the ribbon with the observations. The study, published in Heerikhuisen et al. (2014), found that the most likely range for the LISM magnetic field strength is between 0.2 and 0.3 nT, which is less than previously thought. Figure 2 shows the IBEX data (left) and compares it to the simulation with a 0.2 nT interstellar magnetic field (center) and a 0.4 nT (right).

Florinski, Vladimir↗
DOE OSTI2024

Anomaly inflow, dualities, and quantum simulation of Abelian lattice gauge theories induced by measurements

Previous work [] has demonstrated that quantum simulation of Abelian lattice gauge theories (Wegner models including the toric code in a limit) in general dimensions can be achieved by local adaptive measurements on symmetry-protected topological (SPT) states with higher-form generalized global symmetries. The entanglement structure of the resource SPT state reflects the geometric structure of the gauge theory. In this work we explicitly demonstrate the anomaly inflow mechanism between the deconfining phase of the simulated gauge theory on the boundary and the SPT state in the bulk by showing that the anomalous gauge variation of the boundary state obtained by bulk measurement matches that of the bulk theory. Moreover, we construct the resource state and the measurement pattern for the measurement-based quantum simulation of a lattice gauge theory with a matter field (Fradkin-Shenker model), where a simple scheme to protect gauge invariance of the simulated state against errors is proposed. We further consider taking an overlap between the wave function of the resource state for lattice gauge theories and that of a parameterized product state, and we derive precise dualities between partition functions with insertion of defects corresponding to gauging higher-form global symmetries, as well as measurement-induced phases where states induced by a partial overlap possess different (symmetry-protected) topological orders. Measurement-assisted operators to dualize quantum Hamiltonians of lattice gauge theories and their noninvertibility are also presented. Published by the American Physical Society 2024

Okuda, Takuya↗
DOE OSTI2021

Operating Hardware Impact on the Heat Transfer Properties of Windows

Despite significant advancements in fenestration technology in the last two decades, the thermal transmittance of fenestration products is still significantly higher than that of walls. This corresponds to 60% of the total energy loss of a modern building envelope through the windows. Hence, further development and improvements of fenestration products are necessary. Increasingly stringent codes and standards for fenestration stimulate industry to work on improved solutions. Thus, it is crucial that assessment techniques are able to account for innovations accurately. The thermal effects of non-continuous hardware in window frames are currently ignored by international rating procedures. A preliminary investigation conducted by our team showed significant performance degradation in two of the three out-opening casement profiles caused by the presence of operating hardware. Frames with the structure made of vinyl and fiberglass consist of many air cavities that are penetrated by operating hardware made of highly conductive materials. In these frames, in order to have an accurate assessment, it may be required to employ three-dimensional modeling due to the convective nature of heat transfer within the cavities. However, in this study, we demonstrate that the three-dimensional (3D) effects of non-continuous hardware can be approximated accurately with simpler two-dimensional (2D) simulations. We then develop a simplified model based on weighted average capable of replacing the time- and computation-intensive 3D simulations with 2D simulations and validate it against market available frames and their corresponding hardware. Validation results show that our approximation technique results in discrepancies lower than 0.05 W/(m2K), or 3% of the total thermal transmittance. Thus, we conclude that simplified 2D simulation models may be used for predicting hardware impact in window frames with reasonable accuracy. As windows and glazing structures are becoming ever better thermally insulated, it is becoming even more important to be able to model the impact of the operating hardware on the total thermal performance in order to design the best windows possible and not let the operating hardware ruin an otherwise well-proven design, which is hence addressed in this study.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1993

Study and modeling of finite rate chemistry effects in turbulent non-premixed flames

The development of numerical models that reflect some of the most important features of turbulent reacting flows requires information about the behavior of key quantities in well defined combustion regimes. In turbulent flames, the coupling between turbulent and chemical processes is so strong that it is extremely difficult to isolate the role played by one individual physical phenomenon. Direct numerical simulation (hereafter DNS) allows us to study in detail the turbulence-chemistry interaction in some restricted but completely defined situations. Globally, non-premixed flames are controlled by two limiting regimes: the fast chemistry case, where the turbulent flame can be pictured as a random distribution of local chemical equilibrium problems; and the slow chemistry case, where the chemistry integrates in time the turbulent fluctuations. The Damkoehler number, ratio of a mechanical time scale to chemical time scale, is used to distinguish between these regimes. Today most of the industrial computer codes are able to perform predictions in the hypothesis of local equilibrium chemistry using a presumed shape for the probability density function (pdt) of the conserved scalar. However, the finite rate chemistry situation is of great interest because industrial burners usually generate regimes in which, at some points, the flame is undergoing local extinction or at least non-equilibrium situations. Moreover, this variety of situations strongly influences the production of pollutants. To quantify finite rate chemistry effect, the interaction between a non-premixed flame and a free decaying turbulence is studied using DNS. The attention is focused on the dynamic of extinction, and an attempt is made to quantify the effect of the reaction on the small scale mixing process. The unequal diffusivity effect is also addressed. Finally, a simple turbulent combustion model based on the DNS observations and tractable in real flow configurations is proposed.

Vervisch, Luc↗
NASA NTRS2003

Calibration of TOMS Radiances From Ground Observations

Verification of a stratospheric ozone recovery remains a high priority for environmental research and policy definition. Models predict an ozone recovery at a much lower rate than the measured depletion rate observed to date. Therefore improved precision of the satellite and ground ozone observing systems are required over the long term to verify its recovery. We show that validation of radiances from the ground can be a very effective means for correcting long term drifts of backscatter type satellite measurements and can be used to cross calibrate all BUV instruments in orbit (TOMS, SBUV/2, GOME, SCIAMACHY, OMI, GOME-2, OMPS). This method bypasses the retrieval algorithms used to derive ozone products from both satellite and ground based measurements that are normally used to validate the satellite data. Radiance comparisons employ forward models, but they are inherently more accurate than the retrieval This method employs very accurate comparisons between ground based zenith sicy radiances and satellite nadir radiances and employs two well established capabilities at the Goddard Space Flight Center, 1) the SSBUV calibration facilities and 2) the radiative transfer codes used for the TOMS and SBUV/2 algorithms and their subsequent refinements. The zenith sky observations are made by the SSBUV where its calibration is maintained to a high degree of accuracy and precision. Radiative transfer calculations show that ground based zenith sky and satellite nadir backscatter ultraviolet comparisons can be made very accurately under certain viewing conditions. Initial ground observations taken from Goddard Space Flight Center compared with radiative transfer calculations has indicated the feasibility of this method. The effect of aerosols and varying ozone amounts are considered in the model simulations and the theoretical comparisons. The radiative transfer simulations show that the ground and satellite radiance comparisons can be made with an uncertainty of less than l\% without the knowledge of the amount ozone viewed by either instrument on ground or in space. algorithms.

Bojkov, B. R.↗
DOE OSTI2016

Preparation of Waste Fingerprints for the Miscellaneous Beta Gamma Waste Feeds to the Box Encapsulation Plant at Sellafield - 16080

There are a number of legacy pond and silo storage facilities on Sellafield Site that contain a broad range of ILW arising from the early Windscale Pile and Magnox Fuel Reprocessing Programmes. The waste comprises of solid Miscellaneous Beta Gamma Waste (MBGW) from operations (including filters, containerised waste, thermocouple wire, support struts, pumps, soft wastes) and associated sludges that have arisen from the corrosion of the fuel, Magnox Swarf cladding and the MBGW. It is intended to retrieve and package this waste to meet the requirements of interim storage and final disposal in the Box Encapsulation Plant (BEP) at Sellafield. As part of this process each package must be assigned a realistic and justifiable radionuclide and material inventory. These inventories can either be assigned by radiometric measurements including the associated errors or developed by fundamental data underpinning these assessments and a 'chain of custody' approach of knowing where the waste has been and how it has evolved. The subject of this paper is concerned with the development of the waste fingerprints for these legacy waste streams. As the wastes have arisen over a ∼70 year period there have been an assortment of different working practices and developments in equipment design that have led to significant variations in the waste condition and its composition. During storage the waste items have become mixed, corroded and sludge deposits have arisen. Because of this, and that early consignment records are either incomplete or missing, the task of assigning material and radionuclide fingerprints has been very challenging. In addition, to comply with regulatory requirements the inventory assignment has to be sufficiently robust to meet the processing envelope of the encapsulation process i.e. to allow controls to be made on the amounts of reactive materials (e.g. aluminium, Magnox and uranium) that can be processed within each product and allow identification of excluded items from being consigned from the donor plants. Also, as the waste comprises actinides, fission and activation products it was noted that whilst the UK standard inventory code FISPIN10 predicts the actinides and fission products well, there was a significant discrepancy in the prediction of activation products when compared with those predicted by the specialised fusion code FISPACT. It should be noted that the use of FISPACT to predict actinides and fission products is not recommended. To address these issues, - position statements were produced for each of the waste streams that would be consigned to BEP; - gaps within the data were assessed and where possible inactive trial work was identified to address it; - material and radionuclide fingerprint justification documents were developed from the position statements based upon available data, the experimental work and justified assumptions; - where FISPIN runs were required, these were run with a modified activation data library based on the European Activation File 2010 (EAF2010) to model the activation products. This paper summarises the BEP process, discusses examples of how the material and radionuclide waste stream fingerprints have been justified by revisiting the sample data, original consignment records, engineering drawings and recent remotely operated vehicle (ROV) pond surveys and making reasoned assumptions based on operational practices and non-active experimental work. Incorporation of the EAF2010 library within the FISPIN code has offered significant benefits to BEP and indeed other plants processing mixed fission and activated wastes as it allows comparable predictions of activation products compared with that made by FISPACT and for the plant to maintain one data processing stream rather than two if it had to utilise both modelling codes. This work will underpin the inventory submission in support of the Interim Letter of Compliance (ILoC) to Radioactive Waste Management Limited (RWM). The process of examining the original records, plant operation schedules and engineering drawings has enabled removal of some of the pessimisms that have been made in previous assessments. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Progress in the development of an H{sup −} ion source for cyclotrons

A multi-cusp DC H{sup −} ion source has been developed for cyclotrons in medical use. Beam optics of the H{sup −} ion beam is studied using a 2D beam trajectory code. The simulation results are compared with the experimental results obtained in the Mark I source, which has produced up to 16 mA H{sup −} ion beams. The optimum extraction voltages show good agreement between the calculation and the experimental results. A new ion source, Mark II source, is designed to achieve the next goal of producing an H{sup −} beam of 20 mA. The magnetic field configurations and the plasma electrode design are optimized for Cs-seeded operation. Primary electron trajectory simulation shows that primary electrons are confined well and the magnetic filter prevents the primary electrons from entering into the extraction region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Rate Theory Modeling and Simulation of Silicide Fuel at LWR Conditions

As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U 3 Si 2 ) at LWR conditions needs to be well understood. In this report, rate theory model was developed based on existing experimental data and density functional theory (DFT) calculations so as to predict the fission gas behavior in U 3 Si 2 at LWR conditions. The fission gas behavior of U 3 Si 2 can be divided into three temperature regimes. During steady-state operation, the majority of the fission gas stays in intragranular bubbles, whereas the dominance of intergranular bubbles and fission gas release only occurs beyond 1000 K. The steady-state rate theory model was also used as reference to establish a gaseous swelling correlation of U 3 Si 2 for the BISON code. Meanwhile, the overpressurized bubble model was also developed so that the fission gas behavior at LOCA can be simulated. LOCA simulation showed that intragranular bubbles are still dominant after a 70 second LOCA, resulting in a controllable gaseous swelling. The fission gas behavior of U 3 Si 2 at LWR conditions is benign according to the rate theory prediction at both steady-state and LOCA conditions, which provides important references to the qualification of U 3 Si 2 as a LWR fuel material with excellent fuel performance and enhanced accident tolerance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Editorial to the special issue on the 2015 TOUGH Symposium

This Special Issue of Transport in Porous Media features selected papers from the 2015 TOUGH Symposium, which took place on September 28–30, 2015, in Berkeley, California, USA. Such symposia are held every 3 years and are a forum where users of the TOUGH family of numerical simulators meet for an open exchange on the code applications and recent enhancements. The TOUGH codes (TOUGH is an acronym for Transport of Unsaturated Groundwater and Heat) were originally developed in the early 1980s for geothermal reservoir simulation by a team of researchers at the Lawrence Berkeley National Laboratory (LBNL) headed by Karsten Pruess (see http://esd.lbl.gov/TOUGH). The TOUGH codes have a modular structure in which different fluid components can be incorporated into the code by means of a replaceable equation of state (EOS) package. Since its first release, a variety of important EOS modules have been developed, enabling the modeling of volatile organic compounds, decay chains of multiple radionuclides, gas hydrates, tight and shale gas behavior, enhanced oil recovery, and supercritical water and CO 2 . Derivatives and descendants of the basic TOUGH code include coupled multi-phase flow and reactive chemical transport; coupled thermo-hydrologic-mechanical processes; inverse modeling for parameter estimation, sensitivity analysis, and uncertainty quantification; and parallelization for multi-core PCs, workstation clusters, and supercomputers. The TOUGH codes have been applied to a large variety of problems, including geothermal and petroleum reservoir engineering, nuclear waste and CO 2 geologic sequestration, subsurface environmental remediation, methane gas hydrate production, compressed air energy storage, and many other energy and environmental applications. Finally, the international TOUGH user community currently numbers almost 400 organizations (research laboratories, government agencies, private companies, universities, etc.) in over 60 countries.

99 GENERAL AND MISCELLANEOUS↗