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DOE OSTI2024

Polyhedral Relaxations for Optimal Pump Scheduling of Potable Water Distribution Networks

The classic pump scheduling or optimal water flow (OWF) problem for water distribution networks (WDNs) minimizes the cost of power consumption for a given WDN over a fixed time horizon. In its exact form, the OWF is a computationally challenging mixed-integer nonlinear program (MINLP). It is complicated by nonlinear equality constraints that model network physics, discrete variables that model operational controls, and intertemporal constraints that model changes to storage devices. To address the computational challenges of the OWF, this paper develops tight polyhedral relaxations of the original MINLP, derives novel valid inequalities (or cuts) using duality theory, and implements novel optimization-based bound tightening and cut generation procedures. The efficacy of each new method is rigorously evaluated by measuring empirical improvements in OWF primal and dual bounds over 45 literature instances. The evaluation suggests that our relaxation improvements, model strengthening techniques, and a thoughtfully selected polyhedral relaxation partitioning scheme can substantially improve OWF primal and dual bounds, especially when compared with similar relaxation-based techniques that do not leverage these new methods.

bound tightening↗
DOE OSTI2016

Linear sine wave profiling to machine instability targets

Specialized machining processes and programming have been developed to deliver thin tin and copper Richtmyer-Meshkov instability targets that have different amplitude perturbations across the face of one 4-in.-diameter target. Typical targets have anywhere from two to five different regions of sine waves that have different amplitudes varying from 4 to 200 μm across the face of the target. The puck is composed of multiple rings that are zero press fit together and diamond turned to create a flat platform with a tolerance of 2 μm for the shock experiment. A custom software program was written in Labview to write the point-to-point program for the diamond-turning profiler through the X-Y-Z movements to cut the pure planar straight sine wave geometry. As a result, the software is optimized to push the profile of the whole part into the face while eliminating any unneeded passes that do not cut any material.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Deadpan Contributes to the Robustness of the Notch Response

Notch signaling regulates many fundamental events including lateral inhibition and boundary formation to generate very reproducible patterns in developing tissues. Its targets include genes of the bHLH hairy and Enhancer of split [E(spl)] family, which contribute to many of these developmental decisions. One member of this family in Drosophila, deadpan (dpn), was originally found to have functions independent of Notch in promoting neural development. Employing genome-wide chromatin-immunoprecipitation we have identified several Notch responsive enhancers in dpn, demonstrating its direct regulation by Notch in a range of contexts including the Drosophila wing and eye. dpn expression largely overlaps that of several E(spl) genes and the combined knock-down leads to more severe phenotypes than either alone. In addition, Dpn contributes to the establishment of Cut expression at the wing dorsal-ventral (D/V) boundary; in its absence Cut expression is delayed. Furthermore, over-expression of Dpn inhibits expression from E(spl) gene enhancers, but not vice versa, suggesting that dpn contributes to a feed-back mechanism that limits E(spl) gene expression following Notch activation. Thus the combined actions of dpn and E(spl) appear to provide a mechanism that confers an initial rapid output from Notch activity which becomes self-limited via feedback between the targets.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Fallon, NV FORGE well 21-31 Lithology, Mineral, Image Log, and Injection Test data

Attached is 5 datasets collected from Fallon FORGE well 21-31 located in Churchill County, Nevada collected and interpreted between Feburary 2018-January 2020. This submission includes 1) new lithology interpretation derived from petrographic thin sections of sidewall cores taken from well 21-31, 2) X-Ray Diffraction (XRD) interpretation of sidewall cores and cuttings from well 21-31, 3) Hyperspectral (Short-Wave Infrared and Long-Wave Infrared) interpretation of cuttings and sidewall cores from well 21-31, 4) Interpretation of Formation MicroImager (FMI) and Borehole Televiewer (BHTV) image logs for natural fractures and induced structures for well 21-31, 5) Injection test data and associated analytical model parameters from well testing of well 21-31.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Raw leaf gas exchange data, Leaf traits and 13CO2 experiment in the Amazon basin, Manaus, Brazil, 2019

This data package contains raw light response curves of mature leaves from 26 individuals, distributed among 18 species with different canopy positions, and leaf traits (LMA, N, P, and NSC) from Manaus-Brazil (June-November 2019). Branches were cut from the tree and re-cut under water. All measurements were made using (Li-6400XT, Li-Cor®, Lincoln, USA) under standard environmental conditions. Also, have data from an experiment with 13CO2 using a combined method with Licor 6400XT and Picarro. The experiment was conducted with one tropical species and measured the concentration of ¹³CO2 and ¹²CO2 to estimate rates of leaf respiration. All the files included in this data package are in .csv format with additional metadata spreadsheets in Excel file formats.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Leaf gas exchange (BNL-PNNL collaboration), San Lorenzo, Panama, 2020

This data package contains Photosynthetic CO2 response (ACi curves) and Light Response (AQ) of mature sunlit canopy leaves of 11 species from PA-SLZ, February 2020. Branches were cut from the top of the canopy and re-cut under water. Fitted Vcmax and Jmax photosynthetic parameters were derived from measured data as well as the convexity, light use efficiency and apparent quantum yield. This data was collected as a collaboration between Brookhaven National Laboratory (BNL) and Pacific Northwest National Laboratory (PNNL), and is a subset of the 2020 BNL Panama campaign. The species included in this dataset are: Apeiba membranacea, Carapa guianensis, Cespedesia spathulate, Jacaranda copaia, Lonchocarpus heptaphyllus, Pera arboea, Pourouma bicolore, Symphonia globulifera, Tachigali versicolor, Tapirira guianensis, and Virola sebifera. The files included in this data package are in .csv and .pdf format, with two Excel files containing additional metadata.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

APS upgrade: Commissioning the world’s first light source based on swap-out injection

The Advanced Photon Source (APS) has recently completed a major upgrade, replacing its 25-year-old storage ring with a cutting-edge hybrid seven-bend achromat lattice enhanced by six additional reverse bends. The new design achieves a natural emittance of 42 pm-rad, enabling the production of X-rays up to 500 times brighter than those generated by the original APS. A key innovation of the upgrade is the implementation of a swap-out injection scheme, which replaces entire depleted bunches instead of performing traditional top-up injection. This approach enables on-axis injection to accommodate for the reduced dynamic aperture resulting from strong focusing. This paper outlines the commissioning process, shares initial operating experience with swap-out injection, and presents performance data for new systems such as the bunch-lengthening cavity.

Sajaev, Vadim [Argonne, PHY]↗
DOE OSTI2020

First Ever Polymer Flood Field Pilot to Enhance the Recovery of Heavy Oils on Alaska North Slope – Producer Responses and Operational Lessons Learned

The US Department of Energy and Hilcorp Alaska, LLC are jointly cosponsoring a field pilot project entitled “First Ever Field Pilot on Alaska’s North Slope to Validate the Use of Polymer Floods for Heavy Oil Enhanced Oil Recovery (EOR).” The objective of this pilot is to perform a field experiment to validate the use of an advanced polymer flooding technology to unlock the vast heavy oil resources on Alaska North Slope (ANS). Two pairs of horizontal injection and production wells have been deployed in an isolated fault block of the Schrader Bluff heavy oil reservoir at the Milne Point Field to conduct a polymer flood pilot which was designed to acquire field performance data to optimize polymer flood design in the Schrader Bluff heavy oil reservoirs on ANS. Hydrolyzed polyacrylamide (HPAM) polymer injection started on August 28, 2018 using a custom made polymer mixing and pumping unit. Polymer solution properties such as concentration, viscosity, and filter ratio, have been closely monitored and adjusted as necessary. Operational procedures have been improved to ensure adequate injectivity and polymer propagation through the formation. Oil and water production is tested frequently to monitor water cut performance, and produced water is sampled and analyzed for polymer content. Tracers were pumped pre and post polymer injection startup to compare polymer flood breakthrough timing and sweep efficiency. Polymer injectivity of the horizontal wells drilled in the Schrader Bluff NB sand is found to be sufficient to replace the reservoir production voidage although there were some declines as high viscosity polymer swept the near wellbore region. Production data show significant reduction in water cut and the oil production rate has stabilized. No polymer production has been confirmed from the two horizontal producers after 22 months of polymer injection into the two supporting horizontal injectors. Tracer data show very low sweep efficiencies with waterflood alone, whereas significant improvement has been achieved with polymer flood. Many operational lessons have been learned and improvements have been made regarding polymer mixing, pumping, and onsite quality control, particularly in a challenging Arctic environment. Adequate polymer injection rate can be achieved with diligent monitoring and quality assurance of the properties of the injected polymer solution.

Ning, Samson↗
DOE OSTI2022

Oil Recovery Prediction for Polymer Flood Field Test of Heavy Oil on Alaska North Slope Via Machine Assisted Reservoir Simulation

The first ever polymer flood field pilot to enhance the recovery of heavy oils on the Alaska North Slope is ongoing. This study constructs and calibrates a reservoir simulation model to predict the oil recovery performance of the pilot through machine-assisted reservoir simulation techniques. To replicate the early water breakthrough observed during waterflooding, transmissibility contrasts are introduced into the simulation model, forcing viscous fingering effects. In the ensuing polymer flood, these transmissibility contrasts are reduced to replicate the restoration of injection conformance during polymer flooding, as indicated by a significant decrease in water cut. Later, transmissibility contrasts are reinstated to replicate a water surge event observed in one of the producing wells during polymer flooding. This event may represent decreased injection conformance from fracture overextension; its anticipated occurrence in the other production well is included in the final forecast. The definition of polymer retention in the simulator incorporates the tailing effect reported in laboratory studies; this tailing effect is useful to the simultaneous history match of producing water cut and produced polymer concentration. The top 24 best-matched simulation models produced at each stage of the history matching process are used to forecast oil recovery. The final forecast clearly demonstrates that polymer flooding significantly increases the heavy oil production for this field pilot compared to waterflooding alone. This exercise displays that a simulation model is only valid for prediction if flow behavior in the reservoir remains consistent with that observed during the history matched period. Critically, this means that a simulation model calibrated for waterflooding may not fully capture the benefits of an enhanced oil recovery process such as polymer flooding. Therefore, caution is recommended in using basic waterflood simulation models to scope potential enhanced oil recovery projects.

Keith, Cody Douglas↗
DOE OSTI2021

Gravity loop integrands from the ultraviolet

We demonstrate that loop integrands of (super-)gravity scattering amplitudes possess surprising properties in the ultraviolet (UV) region. In particular, we study the scaling of multi-particle unitarity cuts for asymptotically large momenta and expose an improved UV behavior of four-dimensional cuts through seven loops as compared to standard expectations. For N=8 supergravity, we show that the improved large momentum scaling combined with the behavior of the integrand under BCFW deformations of external kinematics uniquely fixes the loop integrands in a number of non-trivial cases. In the integrand construction, all scaling conditions are homogeneous. Therefore, the only required information about the amplitude is its vanishing at particular points in momentum space. This homogeneous construction gives indirect evidence for a new geometric picture for graviton amplitudes similar to the one found for planar N=4 super Yang-Mills theory. We also show how the behavior at infinity is related to the scaling of tree-level amplitudes under certain multi-line chiral shifts which can be used to construct new recursion relations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

The forward-backward asymmetry and differences of partial moments in inclusive semileptonic $B$ decays

Global fits to moments of kinematic distributions measured in inclusive semileptonic B\rightarrow X_c l \nu_l B → X c l ν l enable the determination of the Cabibbo-Kobayashi-Maskawa matrix element \left|V_{cb}\right| | V c b | together with non-perturbative matrix elements of the heavy quark expansion. In current fits, only two distinct kinematic distributions are employed and, as a consequence, higher moments of these distributions need to be taken into account to extract the relevant non-perturbative matrix elements. The moments of a given distribution are highly correlated and experimental uncertainties increase for higher moments. To address these issues, Turczyk suggested the inclusion of the charged lepton forward-backward asymmetry \mathcal{A}_{FB} 𝒜 F B in global fits, since it provides information on non-perturbative parameters beyond the commonly used moments. It is possible to construct differences of partial moments of kinematic distributions, which can provide additional information on the non-perturbative parameters beyond \mathcal{A}_{FB} 𝒜 F B and are studied in this work for the first time. Further, experimental cuts on the four-momentum transfer square are studied and are shown to preserve the shape of the angular distribution, in contrast to commonly used cuts on the lepton energy. Finally, the impact of final-state radiation and experimental lepton identification requirements on measurements of \mathcal{A}_{FB} 𝒜 F B and differences of partial moments are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Large-scale Manufacturing of Nanoparticulate-based Lubrication Additives for Improved Energy Efficiency and Reduced Emissions

This project was funded under the Department of Energy (DOE) Lab Call on Nanomanufacturing for Energy Efficiency and was directed toward the development of novel boron-based nanocolloidal lubrication additives for improving the friction and wear performance of machine components in a wide range of industrial and transportation applications. Argonne's research team concentrated on the scientific and technical aspects of the project, using a range of state-of-the art analytical and tribological test facilities. Argonne has extensive past experience and expertise in working with boron-based solid and liquid lubrication additives, and has intellectual property ownership of several. There were two industrial collaborators in this project: Ashland Oil (represented by its Valvoline subsidiary) and Primet Precision Materials, Inc. (a leading nanomaterials company). There was also a sub-contract with the University of Arkansas. The major objectives of the project were to develop novel boron-based nanocolloidal lubrication additives and to optimize and verify their performance under boundary-lubricated sliding conditions. The project also tackled problems related to colloidal dispersion, larger-scale manufacturing and blending of nano-additives with base carrier oils. Other important issues dealt with in the project were determination of the optimum size and concentration of the particles and compatibility with various base fluids and/or additives. Boron-based particulate additives considered in this project included boric acid (H 3 BO 3 ), hexagonal boron nitride (h-BN), boron oxide, and borax. As part of this project, we also explored a hybrid MoS 2 + boric acid formulation approach for more effective lubrication and reported the results. The major motivation behind this work was to reduce energy losses related to friction and wear in a wide spectrum of mechanical systems and thereby reduce our dependence on imported oil. Growing concern over greenhouse gas emissions was also a major reason. The transportation sector alone consumes about 13 million barrels of crude oil per day (nearly 60% of which is imported) and is responsible for about 30% of the CO 2 emission. When we consider manufacturing and other energy-intensive industrial processes, the amount of petroleum being consumed due to friction and wear reaches more than 20 million barrels per day (from official energy statistics, U.S. Energy Information Administration). Frequent remanufacturing and/or replacement of worn parts due to friction-, wear-, and scuffing-related degradations also consume significant amounts of energy and give rise to additional CO 2 emission. Overall, the total annual cost of friction- and wear-related energy and material losses is estimated to be rather significant (i.e., as much as 5% of the gross national products of highly industrialized nations). It is projected that more than half of the total friction- and wear-related energy losses can be recovered by developing and implementing advanced friction and wear control technologies. In transportation vehicles alone, 10% to 15% of the fuel energy is spent to overcome friction. If we can cut down the friction- and wear-related energy losses by half, then we can potentially save up to 1.5 million barrels of petroleum per day. Also, less friction and wear would mean less energy consumption as well as less carbon emissions and hazardous byproducts being generated and released to the environment. New and more robust anti-friction and -wear control technologies may thus have a significant positive impact on improving the efficiency and environmental cleanliness of the current legacy fleet and future transportation systems. Effective control of friction in other industrial sectors such as manufacturing, power generation, mining and oil exploration, and agricultural and earthmoving machinery may bring more energy savings. Therefore, this project was timely and responsive to the energy and environmental objectives of DOE and our nation. In this project, most of the boron-based materials with known and potential anti-friction and -wear properties have been manufactured as colloidal additives and tested for their effectiveness in controlling friction and wear. Unlike other anti-friction and -wear additives, which consist of zinc, molybdenum, sulfur, phosphorus, and even chlorine, lubricious boron compounds considered in this project are made of boron, oxygen, nitrogen, and hydrogen, which are more environmentally benign. Among others, boric acid is a natural mineral (known in mineralogy as "sassolite"). Based on our earlier exploratory research, it was found to offer the best overall prospect in terms of performance improvements, environmental friendliness, and ease of manufacturing and, hence, cost effectiveness. Hexagonal boron nitride and borax also offered good prospects for improving the tribological properties of lubricated sliding surfaces. Boron oxide particles were found to be rather hard and somewhat abrasive and, hence, were not considered beyond the initial screening studies. In our bench-top tribological evaluation, we also demonstrated that those additives which worked well with engine oils could work equally well with very common gear oils. When added at appropriate concentrations, such gear oils were found to provide significant resistance to micropitting and scuffing failures in bench-top tribological test systems. Their traction coefficients were also reduced substantially and their scuffing limits were improved considerably. Such impressive tribological behavior of boron-based additives may have been due to their high chemical affinities to interact with sliding contact surfaces and to form slick and protective boundary films. Indeed, our surface studies have confirmed that most of the boron-based nanoparticulate additives prepared in our project possess a strong tendency to form a boron-rich boundary film on sliding contact surfaces. It is believed that the formation of such slick and highly durable boundary films is perhaps one of the fundamental reasons for their superior anti-friction, -wear, and -scuffing performance. Boron-based additives developed under this project have shown potential to reduce or replace the uses of environmentally unsafe sulfur- and phosphorus-bearing anti-wear and friction additives, such as zinc dialkyl dithiophosphate (ZDDP) and molybdenum dialkyl dithiocarbamate (MoDTC), in current lubricating oils. Because ZDDP and MoDTC were suspected of adversely impacting the performance of after-treatment catalysts in current engines, the Environmental Protection Agency (EPA) and other regulatory agencies are demanding that the concentrations of these catalysts in current oils be curtailed drastically. The boron-based nano-additives developed in this project may help reduce the use of ZDDP and MoDTC additives and, hence, help ease the poisoning effects on after-treatment catalysts. When used as lubricity additives, these boron additives can chemically interact with sliding or contacting surfaces and form a protective and slick boundary film, which can, in turn, help reduce friction and wear and increase resistance to scuffing. In the cases of traditional anti-friction and -wear additives mentioned, such protective boundary films result from phosphorus, sulfur, and other elements in the additive package, and again they have been under increased scrutiny in recent years, mainly because of their adverse effects on after-treatment devices. Overall, the boron-based nano-additive technology of this project was shown to hold promise for a broad range of industrial and transportation applications where lower friction and higher resistance to wear and scuffing are needed. Due to more stringent operating conditions of modern machinery, rolling, rotating, and sliding components have been failing to meet the projected lifetimes, mainly because of failures related to mechanical wear, corrosion, and scuffing. The novel boron-based additive technology developed under this project may help such machine components to function reliably by cutting down the friction and wear losses and by increasing resistance to scuffing.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Cast Stone Oxidation Front Evaluation: Preliminary Results For Samples Exposed To Moist Air

The rate of oxidation is important to the long-term performance of reducing salt waste forms because the solubility of some contaminants, e.g., technetium, is a function of oxidation state. TcO 4 - in the salt solution is reduced to Tc(IV) and has been shown to react with ingredients in the waste form to precipitate low solubility sulfide and/or oxide phases. Upon exposure to oxygen, the compounds containing Tc(IV) oxidize to the pertechnetate ion, Tc(VII)O 4 - , which is very soluble. Consequently the rate of technetium oxidation front advancement into a monolith and the technetium leaching profile as a function of depth from an exposed surface are important to waste form performance and ground water concentration predictions. An approach for measuring contaminant oxidation rate (effective contaminant specific oxidation rate) based on leaching of select contaminants of concern is described in this report. In addition, the relationship between reduction capacity and contaminant oxidation is addressed. Chromate (Cr(VI) was used as a non-radioactive surrogate for pertechnetate, Tc(VII), in Cast Stone samples prepared with 5 M Simulant. Cast Stone spiked with pertechnetate was also prepared and tested. Depth discrete subsamples spiked with Cr were cut from Cast Stone exposed to Savannah River Site (SRS) outdoor ambient temperature fluctuations and moist air. Depth discrete subsamples spiked with Tc-99 were cut from Cast Stone exposed to laboratory ambient temperature fluctuations and moist air. Similar conditions are expected to be encountered in the Cast Stone curing container. The leachability of Cr and Tc-99 and the reduction capacities, measured by the Angus-Glasser method, were determined for each subsample as a function of depth from the exposed surface. The results obtained to date were focused on continued method development and are preliminary and apply to the sample composition and curing / exposure conditions described in this report. The Cr oxidation front (depth to which soluble Cr was detected) for the Cast Stone sample exposed for 68 days to ambient outdoor temperatures and humid air (total age of sample was 131 days) was determined to be about 35 mm below the top sample surface exposed. The Tc oxidation front, depth at which Tc was insoluble, was not determined. Interpretation of the results indicates that the oxidation front is at least 38 mm below the exposed surface. The sample used for this measurement was exposed to ambient laboratory conditions and humid air for 50 days. The total age of the sample was 98 days. Technetium appears to be more easily oxidized than Cr in the Cast Stone matrix. The oxidized forms of Tc and Cr are soluble and therefore leachable. Longer exposure times are required for both the Cr and Tc spiked samples to better interpret the rate of oxidation. Tc spiked subsamples need to be taken further from the exposed surface to better define and interpret the leachable Tc profile. Finally Tc(VII) reduction to Tc(IV) appears to occur relatively fast. Results demonstrated that about 95 percent of the Tc(VII) was reduced to Tc(IV) during the setting and very early stage setting for a Cast Stone sample cured 10 days. Additional testing at longer curing times is required to determine whether additional time is required to reduce 100 % of the Tc(VII) in Cast Stone or whether the Tc loading exceeded the ability of the waste form to reduce 100 % of the Tc(VII). Additional testing is required for samples cured for longer times. Depth discrete subsampling in a nitrogen glove box is also required to determine whether the 5 percent Tc extracted from the subsamples was the result of the sampling process which took place in air. Reduction capacity measurements (per the Angus-Glasser method) performed on depth discrete samples could not be correlated with the amount of chromium or technetium leached from the depth discrete subsamples or with the oxidation front inferred from soluble chromium and technetium (i.e., effective Cr and Tc oxidation fronts). Residual reduction capacity in the oxidized region of the test samples indicates that the remaining reduction capacity is not effective in re-reducing Cr(VI) or Tc(VII) in the presence of oxygen. Depth discrete sampling and leaching is a useful for evaluating Cast Stone and other chemically reducing waste forms containing ground granulated blast furnace slag (GGBFS) or other reduction / sequestration reagents to control redox sensitive contaminant chemistry and leachability in the near surface disposal environment. Based on results presented in this report, reduction capacity measured by the Angus-Glasser Ce(IV) method is not an appropriate or meaningful parameter for determining or predicting Tc and Cr oxidation / retentions, speciation, or solubilities in cementitious materials such as Cast Stone. A model for predicting Tc(IV) oxidation to soluble Tc(VII) should consider the waste form porosity (pathway for oxygen ingress), oxygen source, and the contaminant specific oxidation rates and oxidation fronts. Depth discrete sampling of materials exposed to realistic conditions in combination with short term leaching of crushed samples has potential for advancing the understanding of factors influencing performance. This information can be used to support conceptual model development.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Analysis of the Monitoring Network at the Salmon, Mississippi, Site

The Salmon site in southern Mississippi was the location of two underground nuclear tests and two methane-oxygen gas explosion tests conducted in the Tatum Salt Dome at a depth of 2,715 feet below ground surface. The U.S. Atomic Energy Commission (a predecessor agency of the U.S. Department of Energy [DOE]) and the U.S. Department of Defense jointly conducted the tests between 1964 and 1970. The testing operations resulted in surface contamination at multiple locations on the site and contamination of shallow aquifers. No radionuclides from the nuclear tests were released to the surface or to groundwater, although radionuclide-contaminated drill cuttings were brought to the surface during re-entry drilling. Drilling operations generated the largest single volume of waste materials, including radionuclide-contaminated drill cuttings and drilling fluids. Nonradioactive wastes were also generated as part of the testing operations. Site cleanup and decommissioning began in 1971 and officially ended in 1972. DOE conducted additional site characterization between 1992 and 1999. The historical investigations have provided a reasonable understanding of current surface and shallow subsurface conditions at the site, although some additional investigation is desirable. For example, additional hydrologic data would improve confidence in assigning groundwater gradients and flow directions in the aquifers. The U.S. Environmental Protection Agency monitored groundwater at the site as part of its Long-Term Hydrologic Monitoring Program from 1972 through 2007, when DOE's Office of Legacy Management (LM) assumed responsibility for site monitoring. The current monitoring network consists of 28 monitoring wells and 11 surface water locations. Multiple aquifers which underlie the site are monitored. The current analyte list includes metals, radionuclides, and volatile organic compounds (VOCs).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Method development for determining the hydraulic conductivity of fractured porous media

Plausible, but unvalidated, theoretical model constructs for unsaturated hydraulic conductivity of fractured porous media are currently used in Performance Assessment (PA) modeling for cracked saltstone and concrete (Flach 2011). The Nuclear Regulatory Commission (NRC) has expressed concern about the lack of model support for these assumed Moisture Characteristic Curves (MCC) data, as noted in Requests for Additional Information (RAIs) PA-8 and SP-4 (Savannah River Remediation, LLC, 2011). The objective of this task was to advance PA model support by developing an experimental method for determining the hydraulic conductivity of fractured cementitious materials under unsaturated conditions, and to demonstrate the technique on fractured saltstone samples. The task was requested through Task Technical Request (TTR) HLW-SSF-TTR-2012-0016 and conducted in accordance with Task Technical & Quality Assurance Plan (TTQAP) SRNL-TR-2012-00090. Preliminary method development previously conducted by Kohn et al. (2012) identified transient outflow extraction as the most promising method for characterizing the unsaturated properties of fractured porous media. While the research conducted by Kohn et al. (2012) focused on fractured media analogs such as stacked glass slides, the current task focused directly on fractured saltstone. For this task, four sample types with differing fracture geometries were considered: 1) intact saltstone, 2) intact saltstone with a single saw cut, smooth surface fracture, 3) micro-fractured saltstone (induced by oven drying), and 4) micro-fractured saltstone with a single, fully-penetrating, rough-surface fracture. Each sample type was tested initially for saturated hydraulic conductivity following method ASTM D 5084 using a flexible wall permeameter. Samples were subsequently tested using the transient outflow extraction method to determine cumulative outflow as a function of time and applied pressure. Of the four sample types tested, two yielded datasets suitable for analysis (sample types 3 and 4). The intact saltstone sample (sample type 1) did not yield any measureable outflow over the pressure range of the outflow test (0-1000 cm H 2 O). This was expected because the estimated air entry pressure for intact saltstone is on the order of 100,000 cm H 2 O (Dixon et al., 2009). The intact saltstone sample with a single saw cut smooth surface fracture (sample type 2) did not produce useable data because the fracture completely drained at less than 10 cm H 2 O applied pressure. The cumulative outflow data from sample types 3 and 4 were analyzed using an inverse solution of the Richard’s equation for water flow in variably saturated porous media. This technique was implemented using the computer code Hydrus-1D (Šimunek et al., 2008) and the resulting output included the van Genuchten-Mualem water retention and relative permeability parameters and predicted saturated hydraulic conductivity (Van Genuchten, 1980; Van Genuchten et al., 1991). Estimations of relative permeability and saturated conductivity are possible because the transient response of the sample to pressure changes is recorded during the multi-step outflow extraction test. Characteristic curves were developed for sample types 3 and 4 based on the results of the transient outflow method and compared to that of intact saltstone previously reported by Dixon et al. (2009). The overall results of this study indicate that the outflow extraction method is suitable for measuring the hydraulic properties of micro-fractured porous media. The resulting cumulative outflow data can be analyzed using the computer code Hydrus-1D to generate the van Genuchten curve fitting parameters that adequately describe fracture drainage. The resulting characteristic curves are consistent with blended characteristic curves that combine the behaviors of low pressure drainage associated with fracture flow with high pressure drainage from the bulk saltstone matrix.

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

Predictive Engineering Tools for Injection-Molded Long-Carbon-Fiber Thermoplastic Composites (FY 2015 Third Quarterly Report)

During the third quarter of FY 2015, the following technical progress has been made toward project milestones: 1) Magna oversaw the tool build and prepared the molding plan for the complex part of Phase II. 2) PlastiComp hosted a visit by Magna and Toyota on April 23rd to finalize the molding scope and schedule. The plan for molding trials including selection of molding parameters for both LFT and D-LFT for the U-shape complex part was established. 3) Toyota shipped the U-shape complex part tool to Magna on May 28th, 2015. 4) Plasticomp provided 30wt% LCF/PP and 30wt% LCF/PA66 compounded pellets to Magna for molding the complex part. 5) Magna performed preliminary molding trials on June 2nd, 2015 to validate wall thickness, fill profile, tool temperature and shot size requirements for the complex part. 6) Magna performed the first complex part run on June 16th and 17th, 2015 at Magna’s Composite Centre of Excellence in Concord, ON, Canada. Dale Roland of Plasticomp, and Umesh Gandhi of Toyota also attended the molding. 7) Magna discussed and finalized the plan with PNNL and the team for cutting samples from molded parts at selected locations for fiber orientation and length measurements. 8) Magna provided the computer-aided design (CAD) files of the complex parts with and without ribs to PNNL and Autodesk to build the corresponding ASMI models for injection molding simulations. Magna also provided the actual parameters used. 9) Plasticomp’s provided knowledge and experience of molding LCF materials essential to the successful molding of the parts including optimization of fill speed, tool temperatures, and plasticizing conditions for the 30wt% LCF/PP and 30wt% LCF/PA66 materials in both rib and non-rib versions. 10) Magna molded additional parts for evaluation of mechanical property testing including torsional stiffness on June 29th and 30th, 2015 at Magna’s Composite Center of Excellence. 11) Toyota began preparation for the torsion test of the specimens. Preparation of a computer-aided engineering (CAE) model to predict the performance is in progress. 12) Autodesk fixed an error in the implementation of the proper orthogonal decomposition (POD) calculation of fiber length that had caused the ASMI solution to crash and provided an updated build of ASMI containing the fix. 13)Autodesk reviewed and provided feedback for the complex part molding and measurement locations. 14) Autodesk provided support to set up the workflow for ASMI-ABAQUS® analysis, and provided a fix and workaround for a bug in the ASMI-ABAQUS® output command. 15) Autodesk helped build ASMI analysis models for the complex parts with and without ribs. 16) Autodesk worked on improving the orientation prediction accuracy in the shearing layer for 3D meshes based on comparison to measured data of the plaque moldings. 17) PNNL installed a new ASMI version received from Autodesk and performed comparative analyses to assess mid-plane versus 3D fiber length predictions using the full fiber length model and the reduced-order model (ROM) using POD. 18) PNNL presented the project scope, accomplishments, significant results and future plans to DOE and the USCAR Materials Tech Team on June 3rd, 2015. 19) PNNL discussed the cutting of samples from molded parts and finalized a plan with Magna and the team suggesting the sample size, locations and number of samples per location. 20) PNNL and Autodesk built ASMI models for the complex parts with and without ribs, and preliminary analyses of the part with ribs were conducted using the actual molding parameters received from Magna. 21) PNNL worked on a procedure to extract fiber orientation and length results from a 3D ASMI analysis to a 3D ABAQUS model. This procedure is essential to import ASMI fiber orientation and length to a 3D ABAQUS model of the part allowing future part structural analysis for weight reduction study.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Short Distance of Nuclei - Mining the Wealth of Existing Jefferson Lab Data - Final Report

Over the last fifteen years of operation, the Jefferson Lab CLAS Collaboration has performed many experiments using nuclear targets. Because the CLAS detector has a very large acceptance and because it used a very open (i.e., nonspecific) trigger, there is a vast amount of data on many different reaction channels yet to be analyzed. The goal of the Jefferson Lab Nuclear Data Mining grant was to (1) collect the data from nuclear target experiments using the CLAS detector, (2) collect the associated cuts and corrections used to analyze that data, (3) provide non-expert users with a software environment for easy analysis of the data, and (4) to search for interesting reaction signatures in the data. We formed the Jefferson Lab Nuclear Data Mining collaboration under the auspices of this grant. The collaboration successfully carried out all of our goals. Dr. Gavalian, the data mining scientist, created a remarkably user-friendly web-based interface to enable easy analysis of the nuclear-target data by non-experts. Data from many of the CLAS nuclear target experiments has been made available on servers at Old Dominion University. Many of the associated cuts and corrections have been incorporated into the data mining software. The data mining collaboration was extraordinarily successful in finding interesting reaction signatures in the data. Our paper Momentum sharing in imbalanced Fermi systems was published in Science. Several analyses of CLAS data are continuing and will result in papers after the end of the grant period. We have held several analysis workshops and have given many invited talks at international conferences and workshops related to the data mining initiative. Our initiative to maximize the impact of data collected with CLAS in the 6-GeV era was very successful. During the hiatus between the end of 6-GeV experiments and the beginning of 12-GeV experiments, our collaboration and the physics community at large benefited tremendously from the Jefferson Lab Nuclear Data Mining effort.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗