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A New Proposal Generalized Predictive Control Algorithm With Polynomial Reference Tracking Applied for Sodium Fast Reactors

This paper proposes a generalized predictive control (GPC) with constraints and orthonormal Laguerre functions using the simplified model of the primary system (reactor core and intermediate heat exchanger (IHX)) of a prototypical sodium fast reactor (SFR). This paper develops a multiple-input multiple-output (MIMO) GPC with input constraints able to track polynomial references of any degree applied in coolant temperature difference across the core and fractional power. The manipulated variables of the GPC-SFR are the reactivity and the sodium flow rate of the primary and secondary pipes. Moreover, orthonormal Laguerre functions and step down condition number techniques were also applied to avoid the numerical ill-conditioning issue in quadratic programming of large systems. Thus, a GPC type-2 was designed to control fractional power, coolant temperature difference across the core and sodium tank temperature of the SFR primary system when temperature references change according to a linear ramp after reaching their steady-state operation, sustaining 100% power operation on the reactor. In order to analyze the load tracking capability of the GPC-SFR type-2, the load following from 100% fractional power (FP) to 60% FP at 0.8% FP/min rate is simulated. Constraints on the rate of coolant temperature difference across the core and reactivity were applied for the design safety. For comparison criteria, this paper compares the GPC-SFR type-2 with the GPC-SFR type-1, i.e., standard model predictive control (MPC), to verify the viability and superior performance of the proposal regarding: (a) ramp-tracking capability of temperature and load; (b) the rejections of a reactivity disturbance of -1 cent and a secondary sodium inlet temperature disturbance of +10°F; and (c) a simulation with uncertainty in reactor design. The simulations show that the GPC-SFR type-2 overcome the GPC-SFR type-1 robustness and performance.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Numerical Simulation of Metal Melt Flow in a One-Strand Tundish Regarding Active Filtration and Reactive Cleaning

In the paper, two different cleaning strategies for nonmetallic inclusions in steel melts, active filtration and reactive cleaning, are examined in a prototype tundish configuration. In active filtration, nonmetallic inclusions are deposited at the filter surfaces. In reactive cleaning, nonmetallic inclusions stick to the filter surfaces, too. In addition, they are floated by the action of carbon monoxide bubbles, which are generated by reaction between carbon and oxygen in the steel melt. In order to compare the performance of both strategies, numerical simulations of the two-phase flows of steel melt and dispersed nonmetallic inclusions are performed. Turbulence is resolved with implicit large eddy simulation. If necessary, species transports of dissolved carbon in the melt and reaction with oxygen are employed. Cleaning efficiencies are deduced from the simulations which demonstrate that reactive cleaning is much more efficient than active filtration.

36 MATERIALS SCIENCE↗

Quantity of 135I Released from the AGR 5/6/7 Experiment

A series of four Advanced Reactor Technologies (ART) experiments have been conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). From 2006 through 2020, these experiments supported the development and qualification of the new U.S. tristructural isotropic (TRISO) particle fuel for Very High Temperature Reactors (VHTR). Each Advanced Gas Reactor (AGR) experiment consisted of multiple fueled capsules, each plumbed for independent temperature control using a mix of helium and neon gases. The gas leaving a capsule was routed to individual Fission Product Monitor (FPM) detectors. For intact fuel particles, the TRISO particle coatings provide a substantial barrier to fission product release. However, particles with failed coatings, whether because of a minute percentage of initially defective particles, those which fail during irradiation, or those designed to fail (DTF) particles, can release fission products to the flowing gas stream. Because reactive fission product elements like iodine and cesium quickly deposit on cooler capsule components and piping structures as the effluent gas leaves the reactor core, only the noble fission gas isotopes of Kr and Xe tend to reach FPM detectors. The FPM system utilizes High Purity Germanium (HPGe) detectors coupled with a thallium activated sodium iodide NaI(Tl) scintillator. The HPGe detector provides individual isotopic information, while the NaI(Tl) scintillator is used as a gross count rate meter. During irradiation, the 135mXe concentration reaching the FPM detectors is from both direct fission and by decay of the accumulated 135I. About 2.5 hours after irradiation (ten 15.3 minute 135mXe half lives) the directly produced 135mXe has decayed and only the longer lived 135I remains as a source. Decay systematics dictate that 135mXe will be in secular equilibrium with its 135I parent, such that its production rate very nearly equals the decay rate of the parent, and its concentration in the flowing gas stream will appear to decay with the parent half life. This equilibrium condition enables the determination of the amount of 135I released from the fuel particles by measurement of the 135mXe at the FPM following reactor shutdown. In this paper, the 135I released will be reported.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Determination of the Quantity of I-135 Released from the AGR Experiment Series

A series of three Advanced Gas Reactor (AGR) experiments have been conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). From 2006 through 2014, these experiments supported the development and qualification of the new U.S. tri structural isotropic (TRISO) particle fuel for Very High Temperature Reactors (VHTR). Each AGR experiment consisted of multiple fueled capsules, each plumbed for independent temperature control using a mix of helium and neon gases. The gas leaving a capsule was routed to individual Fission Product Monitor (FPM) detectors. For intact fuel particles, the TRISO particle coatings provide a substantial barrier to fission product release. However, particles with failed coatings, whether because of a minute percentage of initially defective particles, those which fail during irradiation, or those designed to fail (DTF) particles, can release fission products to the flowing gas stream. Because reactive fission product elements like iodine and cesium quickly deposit on cooler capsule components and piping structures as the effluent gas leaves the reactor core, only the noble fission gas isotopes of Kr and Xe tend to reach FPM detectors. The FPM system utilizes High Purity Germanium (HPGe) detectors coupled with a thallium activated sodium iodide NaI(Tl) scintillator. The germanium detector provides individual isotopic information, while the NaI(Tl) scintillator is used as a gross count rate meter. During irradiation, the 135mXe concentration reaching the FPM detectors is from both direct fission and by decay of the accumulated 135I. About ~2.5 hours after irradiation (ten 15.3 minute 135mXe half lives) the directly produced 135mXe has decayed and only the longer lived 135I remains as a source. Decay systematics dictate that 135mXe will be in secular equilibrium with its 135I parent, such that it’s production rate very nearly equals the decay rate of the parent, and its concentration in the flowing gas stream will appear to decay with the parent half life. This equilibrium condition enables the determination of the amount of 135I released from the fuel particles by measurement of the 135mXe at the FPM following reactor shutdown. In this paper, the 135I released will be reported and compared to similar releases for noble gases as well as the unexpected finding of 131I deposition from intentional impure gas injection into capsule 11 of experiment AGR 3/4.

AGR↗

Quantity of 135 I released from the AGR-1, AGR-2, and AGR-3/4 experiments and discovery of 131 I at the FPMS traps during the AGR-3/4 experiment

A series of three Advanced Gas Reactor (AGR) experiments have been conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). From 2006 through 2014, these experiments supported the development and qualification of the new U.S. tristructural isotropic (TRISO) particle fuel for Very High Temperature Reactors (VHTR). Each AGR experiment consisted of multiple fueled capsules, each plumbed for independent temperature control using a mix of helium and neon gases. The gas leaving a capsule was routed to individual Fission Product Monitor (FPM) detectors. For intact fuel particles, the TRISO particle coatings provide a substantial barrier to fission product release. However, particles with failed coatings, whether because of a minute percentage of initially defective particles, those which fail during irradiation, or those designed to fail (DTF) particles, can release fission products to the flowing gas stream. Because reactive fission product elements like iodine and cesium quickly deposit on cooler capsule components and piping structures as the effluent gas leaves the reactor core, only the noble fission gas isotopes of Kr and Xe tend to reach FPM detectors. The FPM system utilizes High Purity Germanium (HPGe) detectors coupled with a thallium activated sodium iodide NaI(Tl) scintillator. The HPGe detector provides individual isotopic information, while the NaI(Tl) scintillator is used as a gross count rate meter. During irradiation, the 135m Xe concentration reaching the FPM detectors is from both direct fission and by decay of the accumulated 135 I. About 2.5 hours after irradiation (ten 15.3 minute 135m Xe half lives) the directly produced 135m Xe has decayed and only the longer lived 135 I remains as a source. Decay systematics dictate that 135m Xe will be in secular equilibrium with its 135 I parent, such that its production rate very nearly equals the decay rate of the parent, and its concentration in the flowing gas stream will appear to decay with the parent half life. This equilibrium condition enables the determination of the amount of 135 I released from the fuel particles by measurement of the 135m Xe at the FPM following reactor shutdown. In this paper, the 135 I released will be reported and compared to similar releases for noble gases as well as the unexpected finding of 131 I deposition from intentional impure gas injection into capsule 11 of experiment AGR 3/4.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cholesteric–nematic transitions induced by a shear flow and a magnetic field

The untwisting of the helical structure of a cholesteric liquid crystal under the action of a magnetic field and a shear flow has been studied theoretically. Both factors can induce the cholesteric–nematic transition independently; however, the difference in the orienting actions of the magnetic field and the shear flow leads to competition between magnetic and hydrodynamic mechanisms of influence on the cholesteric liquid crystal. We have analyzed different orientations of the magnetic field relative to the direction of the flow in the shear plane. In a number of limiting cases, the analytic dependences are obtained for the pitch of the cholesteric helix deformed by the shear flow. The phase diagrams of the cholesteric–nematic transitions and the pitch of the cholesteric helix are calculated for different values of the magnetic field strength and the angle of orientation, the flow velocity gradient, and the reactive parameter. It is shown that the magnetic field stabilizes the orientation of the director in the shear flow and expands the boundaries of orientability of cholesterics. It has been established that the shear flow shifts the critical magnetic field strength of the transition. It is shown that a sequence of reentrant orientational cholesteric–nematic–cholesteric transitions can be induced by rotating the magnetic field in certain intervals of its strength and shear flow velocity gradients.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Topology Optimization of 3D Flow Fields for Flow Batteries

We report as power generated from renewables becomes more readily available, the need for power-efficient energy storage devices, such as redox flow batteries, becomes critical for successful integration of renewables into the electrical grid. An important aspect of a redox flow battery is the planar flow field, which is usually composed of two-dimensional channels etched into a backing plate. As reactant-laden electrolyte flows into the flow battery, the channels in the flow field distribute the fluid throughout the reactive porous electrode. We utilize topology optimization to design flow fields with full three-dimensional geometry variation, i.e., 3D flow fields. Specifically, we focus on vanadium redox flow batteries and use the optimization algorithm to generate 3D flow fields evolved from standard interdigitated flow fields by minimizing the electrical and flow pressure power losses. To understand how these 3D designs improve performance, we analyze the polarization of the reactant concentration and exchange current within the electrode to highlight how the designed flow fields mitigate the presence of electrode dead zones. While interdigitated flow fields can be heuristically engineered to yield high performance by tuning channel and land dimensions, such a process can be laborious; this work provides a framework for automating that design process.

25 ENERGY STORAGE↗

LLNL Kimberlina 1.2 NUFT Simulations June 2018 (v2)

This dataset contains the output 6,000, 3-dimensional reactive multi-phase flow and transport aquifer simulations of brine and CO2 leakage into a protective aquiver in California’s San Joaquin Valley and input data files detailing the geologic mesh, aquifer physical properties and CO2 and brine injection rates. This data set was generated as an ongoing effort with the US DOE National Risk Assessment Partnership (NRAP) to evaluate the effectiveness of monitoring techniques to detect brine and CO2 leakage from legacy wells into underground sources of drinking water overlaying a CO2 storage reservoir. Each simulation contains a unique set of input parameters, generated stochastically. The outputs consist of these upper three geologic layers (from top): the Etchegoin, Macoma-Chanac, Santa Margarita-McLure formations. These simulations span the several distances (1, 3 and 6 km or wells W31-0.2, W31-0.5 and W31-1.0, respectively) from the CO2 injector, initiated from bottom hole pressure and saturation to calculate wellbore leakage from the storage reservoir, with low and high regional groundwater gradients and wellbore leakage into 5 leaky nodes. The dataset includes 1,000 unique simulations for each distance, which each contain a unique aquifer heterogeneity, aquifer and caprock permeability, and two model generations are included with a high permeability (prod07) and hybrid permeability (prod09). The range of permeability distributions is listed in Table 1. Each model generation consists of 3,000 simulations. Included in the dataset are the leakage rates determined from 2D wellbore models which utilize the pressure and CO2 saturation from LBL's reservoir simulations, NUFT mesh files with distributed lithology, NUFT rocktab files which describe the material properties for the geologic layers and the NUFT input files and post-processed output 'ntab' files. Each ntab file contains spatial (rows) and temporal (columns) model output tables for each model cell, the locations (x,y,z) and dimensions for each cells (dx, dy, dz). Table 1. Permeability distribution ranges for prod07 and prod09 model generations Geologic Layer: Permeability Range (log10 m^2) prod07 prod09 Etchegoin -12.92 to -10.92 -13.70 to -11.44 Macoma-Chanac -12.72 to -10.72 -13.50 to -11.24 Santa Margarita-McLure -12.70 to -10.70 -13.48 to -11.22 The input files used to generate the model include which are included in the dataset are: Time series of CO2 leakage input into the model (ex: Q_brn.W31-0.2.sim1000.layers123.tab) Time series of CO2 leakage input into the model (ex: Q_CO2.W31-0.2.sim1000.layers123.tab) Physical properties of the aquifer materials detailing the aquifer porosity, solid density, partitioning coefficients, permeabilities and van-Genuchten parameters detailed in a NUFT rocktab file: (ex: sim1000.usnt.rocktab) Numerical mesh and geologic data assigned to each model cell detailed in a NUFT genmsh format (ex: sim1000.mesh_k16.prod07.trans.genmsh) The primary output parameters are: pH (use absolute value) Change in TDS (mg/kg) Change in Pressure (Pa) Change CO2 gas saturation (fraction range 0.0-1.0) for example, the directory /p/lscratchh/mansoor1/nrap/kimberlina/prod09/mainfiles/sim1000/W31- 0.2 contains: sim1000.W31-0.2.trans.pH.red.ntab sim1000.W31-0.2.no_bg.trans.TDS.red.ntab sim1000.W31-0.2.usnt.P.deltabg.red.ntab sim1000.W31-0.2.usnt.CO2_sat.deltabg.red.ntab Each row in the NTAB files consist of model output per numerical grid cell. Each output file contains 33 columns (variables), including the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the ith grid of y-axis 4. k: the ith grid of z-axis 5. element_ref: element reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The remainder (14, 15, 16...) variables are the simulated parameter values over time, take Pressure as an example, are: 14. 0.0y: initial pressure per cell. 15. 10.0y: simulated pressure at the end of the 10th year. 16. 20.0y: simulated pressure at the end of the 20th year. ... (repeated for every 10 years until 200 years)... The model extends 10,000 m, 5,000 m and 1,411 m in the x,y and z dimensions, respectively. The mesh consists of 164,832 cells with mesh dimensions of 101 x 51 x 32 (nx, ny, nz), with cell dimensions ranging from 100 m laterally (along x and y-axis) and model layers are as designated in the z-axis: Layer 1: atmosphere (1e-30 m thick) Layer 2: upper caprock (10 m thick) Layers 3-13: Etchegoin (536.23 m thck) Layers 14-27: Macoma-Chanac (679.04 m thick) Layers 28-32: Santa Margarita-McLure (185.94 m thick) The wellbore is placed along node i=51, j=26, and extends vertically along 5 nodes from the top to the bottom of the model. Special instructions when extracting files: Each Gzip archive (ex: prod07.sim1000-sim00099.tar.gz) contains 100 simulations. Gzip archives should be transferred into base directories (ie. In Linux: mkdir prod07; mv prod07.*.tar.gz prod07/.) before extracting, or files will be overwritten. Each sub-simulation tree should have the following file structure pattern (using the linux 'tree' command): |-- prod07 | |-- sim0001 | |-- W31-0.2 | | |-- Q_brn.W31-0.2.sim0001.layers123.tab | | |-- Q_co2.W31-0.2.sim0001.layers123.tab | | |-- sim0001.W31-0.2.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.2.trans.pH.red.ntab | | |-- sim0001.W31-0.2.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.2.usnt.P.deltabg.red.ntab | |-- W31-0.5 | | |-- Q_brn.W31-0.5.sim0001.layers123.tab | | |-- Q_co2.W31-0.5.sim0001.layers123.tab | | |-- sim0001.W31-0.5.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.5.trans.pH.red.ntab | | |-- sim0001.W31-0.5.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.5.usnt.P.deltabg.red.ntab | |-- W31-1.0 | | |-- Q_brn.W31-1.0.sim0001.layers123.tab | | |-- Q_co2.W31-1.0.sim0001.layers123.tab | | |-- sim0001.W31-1.0.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-1.0.trans.pH.red.ntab | | |-- sim0001.W31-1.0.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-1.0.usnt.P.deltabg.red.ntab | |-- sim0001.mesh_k16.prod07.trans.genmsh Disclaimer This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This report was reviewed and released as LLNL-MI-753464.

aquifer↗

A comparative study of machine learning models for predicting the state of reactive mixing

Mixing phenomena are important mechanisms controlling flow, species transport, and reaction processes in fluids and porous media. Accurate predictions of reactive mixing are critical for many Earth and environmental science problems such as contaminant fate and remediation, macroalgae growth, and plankton biomass evolution. Here, to investigate the evolution of mixing dynamics under different scenarios (e.g., anisotropy, fluctuating velocity fields), a finite-element-based numerical model was built to solve the fast, irreversible bimolecular reaction-diffusion equations to simulate a range of reactive-mixing scenarios. A total of 2,315 simulations were performed using different sets of model input parameters comprising various spatial scales of vortex structures in the velocity field, time-scales associated with velocity oscillations, the perturbation parameter for the vortex-based velocity, anisotropic dispersion contrast (i.e., ratio of longitudinal-to-transverse dispersion), and molecular diffusion. The outputs comprised concentration profiles of reactants and products. The inputs to and outputs from these simulations were concatenated into feature and label matrices, respectively, to train 20 different machine learning (ML) models intended to emulate system behavior. These 20 ML emulators, based on linear methods, Bayesian methods, ensemble learning methods, and multilayer perceptrons (MLPs), were trained to classify the state of mixing and predict three quantities of interest (QoIs) characterizing species production, decay (i.e., average concentration, square of average concentration), and degree of mixing (i.e., variances of species concentration). Unsurprisingly, linear classifiers and regressors failed to reproduce the QoIs; however, ensemble methods (classifiers and regressors) and the MLP model accurately classified the state of reactive mixing and the QoIs. Among ensemble methods, random forest and decision-tree-based AdaBoost faithfully predicted the QoIs. At run time, trained ML emulators produced results times faster than the finite-element simulations. Due to their low computational expense and high accuracy, ensemble and MLP models are excellent emulators for these numerical simulations and great utilities in uncertainty quantification exercises, which can require 1,000s of forward model runs.

97 MATHEMATICS AND COMPUTING↗

Coupling of Acetaldehyde to Crotonaldehyde on CeO 2– x (111): Bifunctional Mechanism and Role of Oxygen Vacancies

Selective C–C coupling of oxygenates is pertinent to the manufacture of fuel and chemical products from biomass and from derivatives of C 1 compounds (i.e., oxygenates produced from methane and CO 2 ). Here we report a combined experimental and theoretical study on the temperature-programmed reaction (TPR) of acetaldehyde (AcH) on a partially reduced CeO 2– x (111) thin film surface. The experiments have been carried out under ultra-high-vacuum conditions without continuous gas exposure, allowing better isolation of active sites and reactive intermediates than in flow reaction conditions. AcH does not undergo aldol condensation in a typical TPR procedure, even though the enolate form of AcH (CH 2 CHO) is readily produced on CeO 2– x (111) with oxygen vacancies. We find however that a tailored “double-ramp” TPR procedure is able to successfully produce an aldol adduct, crotonaldehyde (CrA). Using density functional theory calculations and microkinetic modeling we explore several possible C–C coupling pathways. We conclude that the double-ramp procedure allows surface oxygen vacancy dimers, stabilized by adsorbate occupation, to form dynamically during the TPR. The vacancy dimers in turn enable C–C coupling to occur between an enolate and an adjacent AcH molecule via a bifunctional enolate–keto mechanism that is distinct from conventional acid- or base-catalyzed aldol condensation reactions. Here, the proposed mechanism indicates that CrA desorption is rate-limiting while C–C coupling is facile.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ab initio investigation of a hypersonic double cone experiment

This article presents a direct molecular simulation (DMS) of a reactive Mach 8.2 oxygen flow over a double cone geometry. The free stream conditions and article configuration generate a flow with thermal and chemical nonequilibrium, which are common attributes of hypersonic flight. This scenario was first studied experimentally at Calspan University of Buffalo Research Center’s test facility. DMS is a particle method that uses quantum mechanically derived interaction potentials to simulate molecular collisions within a flow field. Since these interaction potentials are the only modeling inputs used in the simulation, all flow features can solely be attributed to the ab initio potential energy surfaces. Hence, providing a comparison of a hypersonic ground test and numerical data anchored to quantum mechanics. The fundamental nature of DMS is leveraged to investigate molecular level mechanisms prevalent in the flow, and comparisons with lower fidelity simulations are presented to highlight the role of these first principles calculations as benchmark solutions.

Science & Technology - Other Topics↗

Protective coatings with nanoscale multilayer architecture: current state and main trends

Binary systems (layers) and multicomponent layers with bilayer thicknesses varying from microns to a few nanometers are considered. A strong dependence of the microstructure formation on the deposition conditions (the magnitude of the bias potential, the flow of inert and reactive gases, the ion beam power (current density) supplied to the target) is found. General regularities in the change in the functional properties and structural state of the coatings are formulated. The conditions for the formation of a columnar structure and growth texture are noted; various mechanisms and their interpretation are proposed. Finally, the relationship among the size of nanograins, diffusion at the interphase boundary, and effects determining the physico-mechanical, tribological characteristics, as well as resistance to corrosion and oxidation, is shown.

36 MATERIALS SCIENCE↗

Progress in Advanced Spray Combustion Code Integration

A multiyear project to assemble a robust, muitiphase spray combustion code is now underway and gradually building up to full speed. The overall effort involves several university and government research teams as well as Rocketdyne. The first part of this paper will give an overview of the respective roles of the different participants involved, the master strategy, the evolutionary milestones, and an assessment of the state-of-the-art of various key components. The second half of this paper will highlight the progress made to date in extending the baseline Navier-Stokes solver to handle multiphase, multispecies, chemically reactive sub- to supersonic flows. The major hurdles to overcome in order to achieve significant speed ups are delineated and the approaches to overcoming them will be discussed.

Liang, Pak-Yan↗

Head-down-tilt bed rest alters forearm vasodilator and vasoconstrictor responses

To test the hypothesis that head-down-tilt bed rest (HDBR) for 14 days alters vascular reactivity to vasodilatory and vasoconstrictor stimuli, the reactive hyperemic forearm blood flow (RHBF, measured by venous occlusion plethysmography) and mean arterial pressure (MAP, measured by Finapres) responses after 10 min of circulatory arrest were measured in a control trial (n = 20) and when sympathetic discharge was increased by a cold pressor test (RHBF + cold pressor test; n = 10). Vascular conductance (VC) was calculated (VC = RHBF/MAP). In the control trial, peak RHBF at 5 s after circulatory arrest (34.1 +/- 2.5 vs. 48.9 +/- 4.3 ml . 100 ml-1 . min-1) and VC (0.34 +/- 0.02 vs. 0.53 +/- 0.05 ml . 100 ml-1 . min-1 . mmHg-1) were reduced in the post- compared with the pre-HDBR tests (P < 0. 05). Total excess RHBF over 3 min was diminished in the post- compared with the pre-HDBR trial (84.8 vs. 117 ml/100 ml, P < 0.002). The ability of the cold pressor test to lower forearm blood flow was less in the post- than in the pre-HDBR test (P < 0.05), despite similar increases in MAP. These data suggest that regulation of vascular dilation and the interaction between dilatory and constrictor influences were altered with bed rest.

NASA Discipline Musculoskeletal↗

Enhanced Performance Assessment Models for Generic Deep Geologic Repositories for High-Level Waste and Spent Nuclear Fuel - 16223

Development of an enhanced performance assessment (PA) capability for geologic disposal of spent nuclear fuel and high-level waste has been ongoing for several years in the U.S. repository program. The new Generic Disposal System Analysis (GDSA) modeling and software framework is intended to be flexible enough to evolve through the various phases of repository activities, beginning with generic PA activities in the current Concept Evaluation phase to site-specific PA modeling in the Repository Development phase. The GDSA Framework utilizes modern software and hardware capabilities by being based on open-source software architecture and being configured to run in a massively parallel, high-performance computing (HPC) environment. It consists of two main components, the open-source Dakota uncertainty sampling and analysis software and the PFLOTRAN reactive multi-phase flow and transport simulator. Reference cases or 'generic repositories' have been, and are being developed, based on typical properties for potential salt, clay, and granite host-rock formations and corresponding engineered design concepts for each medium. Past simulations have focused on a generic repository in bedded-salt host rock, while the most recent research has focused on a reference case for a typical clay/shale host rock. A variety of single-realization (i.e., deterministic) and multi-realization (probabilistic) results for the new clay reference case are presented, including an analysis of the effects of heat generation on repository performance, assuming a 100-year out-of-reactor commercial SNF waste form. Order-of-magnitude differences between predicted radionuclide concentrations in thermal versus isothermal simulations imply that mechanistic, coupled-process modeling in three-dimensional (3-D) domains can be important for building confidence in post-closure performance assessments. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗