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Dynamics of [C{sub 3}H{sub 5}N{sub 2}]{sub 6}[Bi{sub 4}Br{sub 18}] by means of {sup 1}H NMR relaxometry and quadrupole relaxation enhancement

{sup 1}H spin-lattice field cycling relaxation dispersion experiments in the intermediate phase II of the solid [C{sub 3}H{sub 5}N{sub 2}]{sub 6}[Bi{sub 4}Br{sub 18}] are presented. Two motional processes have been identified from the {sup 1}H spin-lattice relaxation dispersion profiles and quantitatively described. It has been concluded that these processes are associated with anisotropic reorientations of the imidazolium ring, characterized by correlation times of the order of 10{sup −8} s-10{sup −9} s and of about 10{sup −5} s. Moreover, quadrupole relaxation enhancement (QRE) effects originating from slowly fluctuating {sup 1}H-{sup 14}N dipolar interactions have been observed. From the positions of the relaxation maxima, the quadrupole coupling parameters for the {sup 14}N nuclei in [C{sub 3}H{sub 5}N{sub 2}]{sub 6}[Bi{sub 4}Br{sub 18}] have been determined. The {sup 1}H-{sup 14}N relaxation contribution associated with the slow dynamics has been described in terms of a theory of QRE [Kruk et al., Solid State Nucl. Magn. Reson. 40, 114 (2011)] based on the stochastic Liouville equation. The shape of the QRE maxima (often referred to as “quadrupole peaks”) has been consistently reproduced for the correlation time describing the slow dynamics and the determined quadrupole coupling parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of a dry, mixed nuclear fuel storage array for nuclear criticality safety - 14339

A dry storage array of used nuclear fuel at the Idaho National Laboratory contains a mixture of more than twenty different types of research and test reactor fuels. Significant neutronic interaction occurs between fuel canisters within this large storage arrangement of 636 fuel storage canisters. Nuclear criticality safety is maintained primarily by moderation control and through control of neutron interaction and leakage provided by the credited geometry. Over the nearly forty years of operation the collected fuels are now arranged in a configuration that does not minimize the system neutron multiplication factor (k{sub eff}). This creates a concern since the entire remaining facility storage capacity cannot be utilized without exceeding the system minimum subcritical state (k{sub safe}) for ensuring nuclear criticality safety. This work determines a more optimal arrangement for the stored fuels with a goal to minimize the system k{sub eff}, but also with a minimum of potential fuel canister relocation movements. The ultimate goal is to establish a solution for this multiple-objective optimization problem by finding the Pareto Front for maximum k{sub eff} reduction versus the number of canister relocations. The process first required additional analysis of the array by Monte-Carlo neutron transport codes (specifically, MCNP) to gain a greater understanding of the interaction characteristics of the disparate fuel types. Some stored fuels are composed of primarily metallic and oxide components that provide very little inherent moderation, while other fuel types contain graphite or zirconium-hydride which can contribute a significant amount of moderation. These factors cause a complex relationship within a fuel arrangement with respect to thermal utilization and axial leakage probability. The new MCNP analysis was utilized to develop a simplified spreadsheet-based empirical model which simulates the array k{sub eff} result. This empirical model was benchmarked against additional MCNP calculations for various arrangements and then employed in the optimization analysis. A Tabu metaheuristic and stochastic approximation optimization was applied to the empirical model with the optimization function to minimize the array k{sub eff}. The optimization algorithm interrogated the empirical model to determine the optimal rearrangement for up to sixty canister movements. The Pareto Front was found, which shows that a limited number of canister relocation movements could allow the existing thirty-one empty array positions to be filled with common research reactor fuels while also yielding a reduction in the overall array k{sub eff} relative to the current arrangement. This will impart an improvement in the facility utilization while also offering an enhancement in the safety margin. The reduction in array reactivity has been confirmed by a final set of MCNP calculations with the proposed new arrangements. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Differential structure and functional gene response to geochemistry associated with the suspended and attached shallow aquifer microbiomes from the Illinois Basin, IL

Despite the clear ecological significance of the microbiomes inhabiting groundwater and connected ecosystems, our current understanding of their habitats, functionality, and the ecological processes controlling their assembly have been limited. In this study, an efficient pipeline combining geochemistry, high-throughput Fluidigm TM functional gene amplification and sequencing was developed to analyze the suspended and attached microbial communities inhabiting five groundwater monitoring wells in the Illinois Basin, USA. The dominant taxa in the suspended and the attached microbial communities exhibited significantly different spatial and temporal changes in both alpha- and beta-diversity. Further analyses of representative functional genes affiliated with N 2 fixation (nifH), methane oxidation (pmoA), and sulfate reduction (dsrB, and aprA), suggested functional redundancy within the shallow aquifer microbiomes. While more diversified functional gene taxa were observed for the suspended microbial communities than the attached ones except for pmoA, different levels of changes over time and space were observed between these functional genes. Notably, deterministic and stochastic ecological processes shaped the assembly of microbial communities and functional gene reservoirs differently. While homogenous selection was the prevailing process controlling assembly of microbial communities, the neutral processes (e.g., dispersal limitation, drift and others) were more important for the functional genes. The results suggest complex and changing shallow aquifer microbiomes, whose functionality and assembly vary even between the spatially proximate habitats and fractions. As a result, this research underscored the importance to include all the interface components for a more holistic understanding of the biogeochemical processes in aquifer ecosystems, which is also instructive for practical applications.

54 ENVIRONMENTAL SCIENCES↗

3D turbulent reconnection: Theory, tests, and astrophysical implications

Magnetic reconnection, topological changes in magnetic fields, is a fundamental process in magnetized plasmas. It is associated with energy release in regions of magnetic field annihilation, but this is only one facet of this process. Astrophysical fluid flows normally have very large Reynolds numbers and are expected to be turbulent, in agreement with observations. In strong turbulence, magnetic field lines constantly reconnect everywhere and on all scales, thus making magnetic reconnection an intrinsic part of the turbulent cascade. We note in particular that this is inconsistent with the usual practice of magnetic field lines as persistent dynamical elements. A number of theoretical, numerical, and observational studies starting with the paper done by Lazarian and Vishniac [Astrophys. J. 517, 700–718 (1999)] proposed that 3D turbulence makes magnetic reconnection fast and that magnetic reconnection and turbulence are intrinsically connected. In particular, we discuss the dramatic violation of the textbook concept of magnetic flux-freezing in the presence of turbulence. We demonstrate that in the presence of turbulence, the plasma effects are subdominant to turbulence as far as the magnetic reconnection is concerned. The latter fact justifies a magnetohydrodynamiclike treatment of magnetic reconnection on all scales much larger than the relevant plasma scales. We discuss the numerical and observational evidence supporting the turbulent reconnection model. In particular, we demonstrate that the tearing reconnection is suppressed in 3D, and unlike the 2D settings, 3D reconnection induces turbulence that makes magnetic reconnection independent of resistivity. We show that turbulent reconnection dramatically affects key astrophysical processes, e.g., star formation, turbulent dynamo, and acceleration of cosmic rays. We provide criticism of the concept of “reconnection-mediated turbulence” and explain why turbulent reconnection is very different from enhanced turbulent resistivity and hyper-resistivity and why the latter have fatal conceptual flaws.

79 ASTRONOMY AND ASTROPHYSICS↗

A domain wall-magnetic tunnel junction artificial synapse with notched geometry for accurate and efficient training of deep neural networks

Inspired by the parallelism and efficiency of the brain, several candidates for artificial synapse devices have been developed for neuromorphic computing, yet a nonlinear and asymmetric synaptic response curve precludes their use for backpropagation, the foundation of modern supervised learning. Spintronic devices—which benefit from high endurance, low power consumption, low latency, and CMOS compatibility—are a promising technology for memory, and domain-wall magnetic tunnel junction (DW-MTJ) devices have been shown to implement synaptic functions such as long-term potentiation and spike-timing dependent plasticity. In this work, we propose a notched DW-MTJ synapse as a candidate for supervised learning. Using micromagnetic simulations at room temperature, we show that notched synapses ensure the non-volatility of the synaptic weight and allow for highly linear, symmetric, and reproducible weight updates using either spin transfer torque (STT) or spin–orbit torque (SOT) mechanisms of DW propagation. We use lookup tables constructed from micromagnetics simulations to model the training of neural networks built with DW-MTJ synapses on both the MNIST and Fashion-MNIST image classification tasks. Accounting for thermal noise and realistic process variations, the DW-MTJ devices achieve classification accuracy close to ideal floating-point updates using both STT and SOT devices at room temperature and at 400 K. Our work establishes the basis for a magnetic artificial synapse that can eventually lead to hardware neural networks with fully spintronic matrix operations implementing machine learning.

42 ENGINEERING↗

Inference of Rock Flow and Mechanical Properties from Injection-Induced Microseismic Events During Geologic CO 2 Storage

Monitoring microseismic activities during CO 2 injection into geologic formations is important for ensuring the safety of the storage operations. The resulting data provide insight into the response of the storage formation to CO 2 injection and can be used to infer the underlying rock flow and mechanical properties. In this paper, assimilation of microseismic data is performed for dynamic characterization of the storage formation by using a stochastic simulation model to forecast the microseismic response of a geologic formation during CO 2 injection. Two modeling approaches are adopted to predict the space-time distribution of the injection-induced microseismicity. The first model is based on pore pressure relaxation assumption, while the second model uses coupled flow and geomechanics simulation to establish the complex physical relation between the storage formation properties and the corresponding microseismic responses during CO 2 injection. The stochastic predictive models in each case are used in ensemble data assimilation frameworks to estimate rock properties from the observed microseismic data. Two data assimilation methods are considered: (i) a new ensemble-based stochastic point process filter (EnPPF) that can directly integrate discrete microseismic events, and (ii) a variant of ensemble smoother, known as the ensemble smoother with multiple data assimilation (ES-MDA), which requires continuous representation of microseismic events for assimilation. The two methods are successfully applied to a geologically realistic model of the Farnsworth Field in Texas, with complex geologic flow units and interacting fault systems.

42 ENGINEERING↗

Cells from the adult corneal stroma can be reprogrammed to a neuron-like cell using exogenous growth factors

Cells thought to be stem cells isolated from the cornea of the eye have been shown to exhibit neurogenic potential. We set out to uncover the identity and location of these cells within the cornea and to elucidate their neuronal protein and gene expression profile during the process of switching to a neuron-like cell. Here we report that every cell of the adult human and rat corneal stroma is capable of differentiating into a neuron-like cell when treated with neurogenic differentiation specifying growth factors. Furthermore, the expression of genes regulating neurogenesis and mature neuronal structure and function was increased. The switch from a corneal stromal cell to a neuron-like cell was also shown to occur in vivo in intact corneas of living rats. Our results clearly indicate that lineage specifying growth factors can affect changes in the protein and gene expression profiles of adult cells, suggesting that possibly many adult cell populations can be made to switch into another type of mature cell by simply modifying the growth factor environment. - Highlights: • Adult corneal stromal cells can differentiated into neuron-like cells. • Neuronal specification of the adult stromal cell population is stochastic. • Neuronal specification in an adult cell population can be brought about by growth factors.

60 APPLIED LIFE SCIENCES↗

Control-Affine Schrödinger Bridge and Generalized Bohm Potential

From a stochastic control perspective, the Schrödinger bridge is a density-valued continuous curve parameterized by time that connects a given pair of initial and terminal probability densities via minimum effort controlled Brownian motion. The control-affine Schrödinger bridge extends this idea to a generic control-affine Itô diffusion, possibly with an additive state cost. Here, in this letter, we recast the necessary conditions of optimality for the control-affine Schrödinger bridge problem as a two point boundary value problem for a quantum mechanical Schrödinger PDE with complex potential. This complex-valued potential is a generalization of the real-valued Bohm potential in quantum mechanics. Our derived potential is akin to the optical potential in nuclear physics where the real part of the potential encodes elastic scattering (transmission of wave function), and the imaginary part encodes inelastic scattering (absorption of wave function). The key takeaway is that the process noise that drives the evolution of probability densities induces an absorbing medium in the evolution of wave function. These results make new connections between control theory and non-equilibrium statistical mechanics through the lens of quantum mechanics.

Markov processes↗

235-F GoldSim Fate and Transport Model: Uncertainty Quantification

Building 235-F was configured with two missions in mind: Actinide Billet Line (ABL) and the fabrication of Pu-238 oxide for space program applications. ABL produced Np-237 billets for use in SRS reactors, whereas the design process, fabrication, and examination of Pu-238 oxide powder occurred within the following areas, respectively: Plutonium Experimental Facility (PEF), Plutonium Fuel Form (PuFF), and Old Metallography Lab (OML). By 1990 production ceased and by 2006 de-inventory occurred; however, assays have shown significant holdup remains within ABL and PuFF. As a result, 235-F is a Category 2 nuclear facility, with plans to undergo deactivation and decommission (D and D) via In-Situ Disposal (ISD). The purpose of this project is to ensure United States Environmental Protection Agency (USEPA) groundwater radiation maximum contaminant level (MCL) and dosage standards are met during the D and D of 235-F by quantifying uncertainty through probabilistic modeling and evaluation of various ISD alternatives. GoldSim is a dynamic modeling software package with a graphical, object-oriented interface capable of capturing the influence of complex system input variability on probabilistic system outcomes. A GoldSim stochastic fate and transport model for 235-F was developed and matched with a PORFLOW deterministic model to simulate probabilistic release and flow of radionuclides from ABL and PuFF into the vadose zone, the Upper Three Runs (UTR) Aquifer, and UTR Creek. The GoldSim model was used to probabilistically evaluate four ISD scenarios against USEPA groundwater radiation MCLs and dosage standards. The deterministic 235-F GoldSim fate and transport model continues to be refined to match the results of the PORFLOW deterministic model to ensure the model accurately represents radionuclide movement through the groundwater system. The stochastic variables that are utilized within the GoldSim model are founded on the most current data; a conservative perspective is taken where needed. Alignment with the PORFLOW deterministic model, coupled with input stochastic variability, allows the probabilistic 235-F GoldSim model to capture the conservative breadth of possible outcomes for radionuclide fate within this particular system. This ensures that the USEPA MCLs and dosage limits hold even in the worst case scenarios.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

EKF-Based Enhanced Performance Controller Design for Nonlinear Stochastic Systems

In this paper, a novel control algorithm is presented to enhance the performance of tracking property for a class of non-linear dynamic stochastic systems with unmeasurable variables. To minimize the entropy of tracking errors without changing the existing closed loop with PI controller, the enhanced performance loop is constructed based on the state estimation by extended Kalman Filter and the new controller is designed by full state feedback following this presented control algorithm. Besides, the conditions are obtained for the stability analysis in the mean square sense. In the end, the comparative simulation results are given to illustrate the effectiveness of proposed control algorithm.

Complex industrial process↗

Is the acceleration of anomalous cosmic rays affected by the geometry of the termination shock?

Historically, anomalous cosmic rays (ACRs) were thought to be accelerated at the solar-wind termination shock (TS) by the diffusive shock acceleration process. When Voyager 1 crossed the TS in 2004, the measured ACR spectra did not match the theoretical prediction of a continuous power law, and the source of the high-energy ACRs was not observed. When the Voyager 2 crossed the TS in 2007, it produced similar results. Several possible explanations have since appeared in the literature, but we follow the suggestion that ACRs are still accelerated at the shock, only away from the Voyager crossing points. To investigate this hypothesis closer, we study ACR acceleration using a three-dimensional, non-spherical model of the heliosphere that is axisymmetric with respect to the interstellar flow direction. We then compare the results with those obtained for a spherical TS. A semi-analytic model of the plasma and magnetic field backgrounds is developed to permit an investigation over a wide range of parameters under controlled conditions. The model is applied to helium ACRs, whose phase-space trajectories are stochastically integrated backward in time until a pre-specified, low-energy boundary, taken to be 0.5 MeV n{sup –1} (the so-called injection energy), is reached. Our results show that ACR acceleration is quite efficient on the heliotail-facing part of the TS. For small values of the perpendicular diffusion coefficient, our model yields a positive intensity gradient between the TS and about midway through the heliosheath, in agreement with the Voyager observations.

79 ASTRONOMY AND ASTROPHYSICS↗

MO-F-CAMPUS-I-01: A System for Automatically Calculating Organ and Effective Dose for Fluoroscopically-Guided Procedures

Purpose: A system was developed that automatically calculates the organ and effective dose for individual fluoroscopically-guided procedures using a log of the clinical exposure parameters. Methods: We have previously developed a dose tracking system (DTS) to provide a real-time color-coded 3D- mapping of skin dose. This software produces a log file of all geometry and exposure parameters for every x-ray pulse during a procedure. The data in the log files is input into PCXMC, a Monte Carlo program that calculates organ and effective dose for projections and exposure parameters set by the user. We developed a MATLAB program to read data from the log files produced by the DTS and to automatically generate the definition files in the format used by PCXMC. The processing is done at the end of a procedure after all exposures are completed. Since there are thousands of exposure pulses with various parameters for fluoroscopy, DA and DSA and at various projections, the data for exposures with similar parameters is grouped prior to entry into PCXMC to reduce the number of Monte Carlo calculations that need to be performed. Results: The software developed automatically transfers data from the DTS log file to PCXMC and runs the program for each grouping of exposure pulses. When the dose from all exposure events are calculated, the doses for each organ and all effective doses are summed to obtain procedure totals. For a complicated interventional procedure, the calculations can be completed on a PC without manual intervention in less than 30 minutes depending on the level of data grouping. Conclusion: This system allows organ dose to be calculated for individual procedures for every patient without tedious calculations or data entry so that estimates of stochastic risk can be obtained in addition to the deterministic risk estimate provided by the DTS. Partial support from NIH grant R01EB002873 and Toshiba Medical Systems Corp.

60 APPLIED LIFE SCIENCES↗

Data and scripts associated with “Non-random processes impacting organic matter chemistry are maximized in mid-order streams”

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the publication “Non-random processes impacting organic matter chemistry are maximized in mid-order streams” submitted to Limnology and Oceanography (L&O) by Danczak et al. (in review). This package contains data and scripts used to investigate dissolved organic matter (DOM) molecular chemistry and diversification processes across 47 surface-water sampling sites in the Yakima River Basin, Washington, USA, during an August 2021 sampling campaign. The package contains analyses of ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), geochemical measurements, geospatial attributes, molecular diversity, and meta-metabolome ecological null models needed to reproduce the main manuscript results. The underlying field data were pulled from exising data packages at https://doi.org/10.15485/1892052 (Fulton et al., 2022) and https://doi.org/10.15485/1898914 (Grieger et al., 2022). For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. We thank the following organizations for providing access to field locations for sample collection: the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, the Confederated Tribes and Bands of the Yakama Nation, and the Cowiche Canyon Conservatory. Research was conducted under Washington State Parks and Recreation Commission Scientific Research Permit #210901. We are grateful to the Yakama Nation Tribal Council and Yakama Nation Fisheries for their collaboration in facilitating sample collection and ensuring data usage aligns with their values and worldview. This data package contains an R-Markdown file for analyses and five folders: (1) Data, (2) Geospatial Data, (3) Supplemental_Files, (5) Figures_pdf, (4) and src. The Data folder contains tabular inputs and derived files used in the manuscript analysis. The Geospatial Data folder contains climate and water-balance, hydrologic, land-cover, population/regional water-use, stream, topographic, and stream-order attribute CSV files. The src folder contains scripts used to process data, run analyses, and generate figures. The Figures_pdf folder contains manuscript figure outputs. The Supplemental_Files folder contains supplemental analysis products. All files are .csv, .pdf, .html, .png, .R, .Rmd, .svg, or .tre. This data package is associated with the rcfsa-RC2-SPS_Null_Modeling repository found at https://github.com/river-corridors-sfa/rcfsa-RC2-SPS_Null_Modeling.

54 ENVIRONMENTAL SCIENCES↗

Fractional Laplacian spectral approach to turbulence in a dusty plasma monolayer

This work presents an analytical investigation of anomalous diffusion and turbulence in a dusty plasma monolayer, where energy transport across scales leads to the spontaneous formation of spatially disordered patterns. Many-body simulations of 10,000-particle dusty plasma monolayers are used to demonstrate how the global dynamics depend on the statistical properties of the dust assembly for realistic laboratory conditions. We find that disorder due to variations in the dust size distribution and charge-driven nonlocal interactions resulting in anomalous dust diffusion are key factors for the onset of instabilities. The resulting dynamics exhibit features of inertial turbulence over slightly more than half a decade of scales proportional or smaller than the Debye shielding length. These processes are examined analytically using a recently developed Fractional Laplacian Spectral (FLS) technique, which identifies the active energy channels as a function of scale, disorder concentration, and features of the nonlocal-interactions. The predictions from the theoretical (spectral) analysis demonstrate agreement with the results from the many-body (kinetic) simulations, thus providing a powerful tool for the study of active turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structural contribution to the roughness of supersmooth crystal surface

Technological advances in processing crystals (Si, sapphire {alpha}-Al{sub 2}O{sub 3}, SiC, GaN, LiNbO{sub 3}, SrTiO{sub 3}, etc.) of substrate materials and X-ray optics elements make it possible to obtain supersmooth surfaces with a periodicity characteristic of the crystal structure. These periodic structures are formed by atomically smooth terraces and steps of nano- and subnanometer sizes, respectively. A model surface with such nanostructures is proposed, and the relations between its roughness parameters and the height of atomic steps are determined. The roughness parameters calculated from these relations almost coincide with the experimental atomic force microscopy (AFM) data obtained from 1 Multiplication-Sign 1 and 10 Multiplication-Sign 10 {mu}m areas on the surface of sapphire plates with steps. The minimum roughness parameters for vicinal crystal surfaces, which are due to the structural contribution, are calculated based on the approach proposed. A comparative analysis of the relief and roughness parameters of sapphire plate surfaces with different degrees of polishing is performed. A size effect is established: the relief height distribution changes from stochastic to regular with a decrease in the surface roughness.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Light Water Reactor Sustainability Program: Analysis of Pressurized Water Reactor Station Blackout Caused by External Flooding Using the RISMC Toolkit

The existing fleet of nuclear power plants is in the process of extending its lifetime and increasing the power generated from these plants via power uprates. In order to evaluate the impact of these factors on the safety of the plant, the Risk Informed Safety Margin Characterization (RISMC) project aims to provide insight to decision makers through a series of simulations of the plant dynamics for different initial conditions (e.g., probabilistic analysis and uncertainty quantification). This report focuses, in particular, on the application of a RISMC detailed demonstration case study for an emergent issue using the RAVEN and RELAP-7 tools. This case study looks at the impact of a couple of challenges to a hypothetical pressurized water reactor, including: (1) a power uprate, (2) a potential loss of off-site power followed by the possible loss of all diesel generators (i.e., a station black-out event), (3) and earthquake induces station-blackout, and (4) a potential earthquake induced tsunami flood. The analysis is performed by using a set of codes: a thermal-hydraulic code (RELAP-7), a flooding simulation tool (NEUTRINO) and a stochastic analysis tool (RAVEN) – these are currently under development at the Idaho National Laboratory.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

On Maximal Hard-Core Thinnings of Stationary Particle Processes

The present paper studies existence and distributional uniqueness of subclasses of stationary hard-core particle systems arising as thinnings of stationary particle processes. These subclasses are defined by natural maximality criteria. We investigate two specific criteria, one related to the intensity of the hard-core particle process, the other one being a local optimality criterion on the level of realizations. In fact, the criteria are equivalent under suitable moment conditions. We show that stationary hard-core thinnings satisfying such criteria exist and are frequently distributionally unique. More precisely, distributional uniqueness holds in subcritical and barely supercritical regimes of continuum percolation. Additionally, based on the analysis of a specific example, we argue that fluctuations in grain sizes can play an important role for establishing distributional uniqueness at high intensities. Finally, we provide a family of algorithmically constructible approximations whose volume fractions are arbitrarily close to the maximum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE site remedial management optimization utilizing on the cloud computing systems - 15676

Environmental cleanups at complex sites necessarily address many competing demands and answer questions such as: 'What is the best way and in a sustainable manner to minimize risk to human health and the environment during active restoration efforts and/or long term legacy management, while incorporating parameter uncertainty, management considerations, and stakeholder concerns into the process?' Physics Based Management Optimization (PBMO{sup TM}) provides a means to answer such questions. 'Physics Based' indicates incorporation of numerically computed groundwater flow and transport processes into the analysis. This enables optimal remedy design based on comprehensive mass removal/destruction metrics and optimal monitoring strategies. 'Management Optimization' indicates the ability to incorporate objective functions (e.g., management constraints, sustainability considerations) into the evaluation. PBMO{sup TM} components have been successfully implemented for optimal plume delineation (points of compliance) and monitoring, for optimal system design and to optimize existing active treatment systems in the US at multiple DOE, DOD and industrial sites since the mid 1990's. PBMO{sup TM} has been recently extended and implemented on multi-core, multi-CPU grid computing systems including computational clusters, local area networks and the Cloud. This extension allows for increased flexibility and adaptation of computational resources which can now support optimal remedy design and long term management strategies for complex soil and groundwater sites. In the PBMO{sup TM} -Grid case study, we evaluate flow and transport for a typical optimization search for a realistic project against sequential optimization. PBMO{sup TM}-Grid reduces the CPU time required to solve the optimization problem by more than a factor of 14 X compared to sequential optimization. PBMO{sup TM}-Grid can be deployed for deterministic or stochastic optimization and formally computes design risk and predicted degree of remedial action success. The numerical models used can consist of a single 'mega' model (aka a monolith), or a mixture of models and other calculations or expert systems. PBMO{sup T}M-Grid integrates the computational models in a seamless manner, and models run on the Cloud can be implemented in Windows or Linux platforms. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗