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At least 991 records · Page 55

Calculating the dissociation chemistry and equation of state properties of materials [Slides]

Many experimental techniques are accurate enough to reveal glaring weaknesses in the material models used by physics codes to design them. This is requiring ever more stringent equation of state (EOS) development. Formerly, EOS models were built using limited gas gun shock data and a few general physics assumptions. With the ever increasing computer power available, we began using density functional theory (DFT) to approximate other EOS regimes such as the principal isentrope, critical point, and sometimes melt. With Sequoia, and only because of Sequoia’s capacity, we are now calculating a limited range, general EOS table and then deriving the above EOS properties based on that table, often on a shorter time frame and more thoroughly than we used to compute just the EOS sections listed above. The first project was to calculate a limited range EOS for CO 2 and specifically track the dissociated species present at each density and temperature. We would not see all of the possible species due to our small sample size and limited time, however, we should see the dominant species and general trends. This work was done to support a new, chemistry aware EOS model that is still under development at LANL. The second project was done for two reasons. The first is LANL and SNL are developing a new amorphous SiO 2 EOS for use in hydrocodes. There is extensive principal Hugoniot and isentrope data, but very little lower density data. There is also no real estimate of the critical point so we found the approximate value of that as well. The second reason for lower density SiO 2 is to test a new method for calculating the Hugoniot of porous materials. Because aerogel (low density SiO 2 ) is used extensively in many shock experiments, there was a large data set to compare with. As can be seen in the figure, the new method appears to work well and is tracking the porous Hugoniot within the experimental error bars (not shown). Finally, SNL is developing a new EOS for LiF because we were seeing discrepancies with the SESAME table. DFT has some issues calculating EOS values for LiF, so we will make some corrections, however, our first attempt appears to have very good results which confirm several experimentally seen properties, as seen on the previous slide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Methods for obtaining true particle size distributions from cross section measurements

Sectioning methods are frequently used to measure grain sizes in materials. These methods do not provide accurate grain sizes for two reasons. First, the sizes of features observed on random sections are always smaller than the true sizes of solid spherical shaped objects, as noted by Wicksell [1]. This is the case because the section very rarely passes through the center of solid spherical shaped objects randomly dispersed throughout a material. The sizes of features observed on random sections are inversely related to the distance of the center of the solid object from the section [1]. Second, on a plane section through the solid material, larger sized features are more frequently observed than smaller ones due to the larger probability for a section to come into contact with the larger sized portion of the spheres than the smaller sized portion. As a result, it is necessary to find a method that takes into account these reasons for inaccurate particle size measurements, while providing a correction factor for accurately determining true particle size measurements. I present a method for deducing true grain size distributions from those determined from specimen cross sections, either by measurement of equivalent grain diameters or linear intercepts.

36 MATERIALS SCIENCE↗

Approximate Model for Turbulent Stagnation Point Flow.

Here we derive an approximate turbulent self-similar model for a class of favorable pressure gradient wedge-like flows, focusing on the stagnation point limit. While the self-similar model provides a useful gross flow field estimate this approach must be combined with a near wall model is to determine skin friction and by Reynolds analogy the heat transfer coefficient. The combined approach is developed in detail for the stagnation point flow problem where turbulent skin friction and Nusselt number results are obtained. Comparison to the classical Van Driest (1958) result suggests overall reasonable agreement. Though the model is only valid near the stagnation region of cylinders and spheres it nonetheless provides a reasonable model for overall cylinder and sphere heat transfer. The enhancement effect of free stream turbulence upon the laminar flow is used to derive a similar expression which is valid for turbulent flow. Examination of free stream enhanced laminar flow suggests that the rather than enhancement of a laminar flow behavior free stream disturbance results in early transition to turbulent stagnation point behavior. Excellent agreement is shown between enhanced laminar flow and turbulent flow behavior for high levels, e.g. 5% of free stream turbulence. Finally the blunt body turbulent stagnation results are shown to provide realistic heat transfer results for turbulent jet impingement problems.

42 ENGINEERING↗

TAP Report - Southwest Idaho Juniper Working Group

There is explicit need for characterization of the materials for possible commercialization as little characterization data exists. Pinyon-juniper woodlands are a major ecosystem type found in the Southwest and the Intermountain West regions of the United States including Nevada, Idaho and Oregon. These widespread ecosystems are characterized by the presence of several different species of pinyon and juniper as the dominant plant cover. Since the 1800s, pinyon-juniper woodlands have rapidly expanded their range at the expense of existing ecosystems. Additionally, existing woodlands have become denser, progressively creating potential fire hazards as seen in the Soda Fire, which burned more than 400 sq. miles. Land managers responsible for these areas often desire to reduce pinyon-juniper coverage on their lands for a variety of reasons, as stated in the Working Group objectives. However, the cost of clearing thinning pinyon-juniper stands can be prohibitive. One reason for this is the lack of utilization options for the resulting biomass that could help recover some of the cost of pinyon-juniper stand management. The goal of this TAP effort was to assess the feedstock characteristics of biomass from a juniper harvested from Owyhee County to evaluate possible fuel and conversion utilization options.

09 BIOMASS FUELS↗

Fluoride Salt-Cooled High-Temperature Demonstration Reactor Point Design

The fluoride salt-cooled high-temperature reactor (FHR) demonstration reactor (DR) is a concept for a salt-cooled reactor with 100 megawatts of thermal output (MWt). It would use tristructural-isotropic (TRISO) particle fuel within prismatic graphite blocks. FLiBe (2 LiF-BeF 2 ) is the reference primary coolant. The FHR DR is designed to be small, simple, and affordable. Development of the FHR DR is a necessary intermediate step to enable near-term commercial FHRs. Lower risk technologies are purposely included in the initial FHR DR design to ensure that the reactor can be built, licensed, and operated within an acceptable budget and schedule. These technologies include TRISO particle fuel, replaceable core structural material, the use of that same material for the primary and intermediate loops, and tube-and-shell primary-to-intermediate heat exchangers. Several preconceptual and conceptual design efforts that have been conducted on FHR concepts bear a significant influence on the FHR DR design. Specific designs include the Oak Ridge National Laboratory (ORNL) advanced high-temperature reactor (AHTR) with 3400/1500 MWt/megawatts of electric output (MWe), as well as a 125 MWt small modular AHTR (SmAHTR) from ORNL. Other important examples are the Mk1 pebble bed FHR (PB-FHR) concept from the University of California, Berkeley (UCB), and an FHR test reactor design developed at the Massachusetts Institute of Technology (MIT). The MIT FHR test reactor is based on a prismatic fuel platform and is directly relevant to the present FHR DR design effort. These FHR concepts are based on reasonable assumptions for credible commercial prototypes. The FHR DR concept also directly benefits from the operating experience of the Molten Salt Reactor Experiment (MSRE), as well as the detailed design efforts for a large molten salt reactor concept and its breeder variant, the Molten Salt Breeder Reactor. The FHR DR technology is most representative of the 3400 MWt AHTR concept, and it will demonstrate key operational features of that design. The FHR DR will be closely scaled to the SmAHTR concept in power and flows, so any technologies demonstrated will be directly applicable to a reactor concept of that size. The FHR DR is not a commercial prototype design, but rather a DR that serves a cost and risk mitigation function for a later commercial prototype. It is expected to have a limited operational lifetime compared to a commercial plant. It is designed to be a low-cost reactor compared to more mature advanced prototype DRs. A primary reason to build the FHR DR is to learn about salt reactor technologies and demonstrate solutions to remaining technical gaps.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Airborne Sensor Thermal Management Solution

The customer wants to outfit aircraft (de Havilland Twin Otter) with optical sensors. In previous product generations the sensor line-of-sight direction was fixed – the sensor’s direction relied on the orientation of the aircraft. The next generation sensor will be packaged in a rotatable turret so that the line-of-sight is reasonably independent of the aircraft’s orientation. This turret will be mounted on a boom protruding from the side of the aircraft. The customer wants to outfit aircraft (de Havilland Twin Otter) with optical sensors. In previous product generations the sensor line-of-sight direction was fixed – the sensor’s direction relied on the orientation of the aircraft. The next generation sensor will be packaged in a rotatable turret so that the line-of-sight is reasonably independent of the aircraft’s orientation. This turret will be mounted on a boom protruding from the side of the aircraft.

42 ENGINEERING↗

Assessing Pinyon Juniper Feedstock Properties and Utilization Options

Pinyon-juniper woodlands are a major ecosystem type found in the Southwest and the Intermountain West regions of the United States. These ecosystems are characterized by the presence of several different species of pinyon pine and juniper as the dominant plant cover. Since the 1800s, pinyon-juniper woodlands have rapidly expanded their range at the expense of existing ecosystems. Additionally, existing woodlands have become more dense, potentially increasing fire hazards. Land managers responsible for these areas often desire to reduce pinyonjuniper coverage on their lands for a variety of reasons, including restoration to previous vegetative cover, mitigation of fire risk, and improvement in wildlife habitat. However, the cost of clearing or thinning pinyon-juniper stands can be prohibitive. One reason for this is the lack of utilization options for the resulting biomass that could help recover some of the cost of pinyonjuniper stand management. The goal of this project was to assess the feedstock characteristics of biomass from a pinyon-juniper harvest so that potential applications for the biomass may be evaluated.

59 BASIC BIOLOGICAL SCIENCES↗

Milestone report on MD potential development for uranium silicide

This report summarizes the progress on the interatomic potential development of triuranium-disilicide (U 3 Si 2 ) for molecular dynamics (MD) simulations. The development is based on the Tersoff type potentials for single element U and Si. The Si potential is taken from the literature and a Tersoff type U potential is developed in this project. With the primary focus on the U 3 Si 2 phase, some other U-Si systems such as U 3 Si are also included as a test of the transferability of the potentials for binary U-Si phases. Based on the potentials for unary U and Si, two sets of parameters for the binary U-Si system are developed using the Tersoff mixing rules and the cross-term fitting, respectively. The cross-term potential is found to give better results on the enthalpy of formation, lattice constants and elastic constants than those produced by the Tersoff mixing potential, with the reference data taken from either experiments or density functional theory (DFT) calculations. In particular, the results on the formation enthalpy and lattice constants for the U 3 Si 2 phase and lattice constants for the high temperature U 3 Si (h-U 3 Si) phase generated by the cross-term potential agree well with experimental data. Reasonable agreements are also reached on the elastic constants of U 3 Si 2 , on the formation enthalpy for the low temperature U 3 Si (m-U 3 Si) and h-U 3 Si phases, and on the lattice constants of m-U 3 Si phase. All these phases are predicted to be mechanically stable. The unary U potential is tested for three metallic U phases (α, β, γ). The potential is found capable to predict the cohesive energies well against experimental data for all three phases. It matches reasonably with previous experiments on the lattice constants and elastic constants of αU.

36 MATERIALS SCIENCE↗

CBP Toolbox Version 3.0 “Beta Testing” Performance Evaluation

One function of the Cementitious Barriers Partnership (CBP) is to assess available models of cement degradation and to assemble suitable models into a “Toolbox” that would be made available to members of the partnership, as well as the DOE Complex. To this end, SRNL and Vanderbilt University collaborated to develop an interface using the GoldSim software to the STADIUM @ code developed by SIMCO Technologies, Inc. and LeachXS/ORCHESTRA developed by Energy research Centre of the Netherlands (ECN). Release of Version 3.0 of the CBP Toolbox is planned in the near future. As a part of this release, an increased level of quality assurance for the partner codes and the GoldSim interface has been developed. This report documents results from evaluation testing of the ability of CBP Toolbox 3.0 to perform simulations of concrete degradation applicable to performance assessment of waste disposal facilities. Simulations of the behavior of Savannah River Saltstone Vault 2 and Vault 1/4 concrete subject to sulfate attack and carbonation over a 500- to 1000-year time period were run using a new and upgraded version of the STADIUM @ code and the version of LeachXS/ORCHESTRA released in Version 2.0 of the CBP Toolbox. Running both codes allowed comparison of results from two models which take very different approaches to simulating cement degradation. In addition, simulations of chloride attack on the two concretes were made using the STADIUM @ code. The evaluation sought to demonstrate that: 1) the codes are capable of running extended realistic simulations in a reasonable amount of time; 2) the codes produce “reasonable” results; the code developers have provided validation test results as part of their code QA documentation; and 3) the two codes produce results that are consistent with one another. Results of the evaluation testing showed that the three criteria listed above were met by the CBP partner codes. Therefore, it is concluded that the codes can be used to support performance assessment. This conclusion takes into account the QA documentation produced for the partner codes and for the CBP Toolbox.

97 MATHEMATICS AND COMPUTING↗

Estimation of Several Turbulent Fluctuation Quantities Using an Approximate Pulsatile Flow Model

Turbulent fluctuation behavior is approximately modeled using a pulsatile flow model analogy.. This model follows as an extension to the turbulent laminar sublayer model developed by Sternberg (1962) to be valid for a fully turbulent flow domain. Here unsteady turbulent behavior is modeled via a sinusoidal pulsatile approach. While the individual modes of the turbulent flow fluctuation behavior are rather crudely modeled, approximate temporal integration yields plausible estimates for Root Mean Square (RMS) velocity fluctuations. RMS pressure fluctuations and spectra are of particular interest and are estimated via the pressure Poisson expression. Both RMS and Power Spectral Density (PSD), i.e. spectra are developed. Comparison with available measurements suggests reasonable agreement. An additional fluctuating quantity, i.e. RMS wall shear fluctuation is also estimated, yielding reasonable agreement with measurement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evaluation of Deep Subsurface Resistivity Imaging for Hydrofracture Monitoring

This report describes the results of the first of its kind monitoring of a hydrofracture operation with electromagnetic measurements. The researchers teamed with oil and gas producer Encana Corporation to design and execute a borehole to surface monitoring of three fracture stages at a well pad in central Colorado. The field project consisted of an equipment upgrade, a survey design and modeling phase, several weeks of data collection, and data processing and interpretation. Existing Depth to Surface Resistivity (DSR) instrumentation was upgraded to allow for continuous high precision recording from downhole sources. The full system can now collect data continuously for up to 72 hours, which is sufficient to measure data for 10 frac stages. Next we used numerical modeling and frac treatment data supplied by Encana to design a field survey to detect EM signal from induced fractures. Prior to modeling we developed a novel technique for using well casing as an antenna for a downhole source. Modeling shows that 1) a measurable response for an induced fracture could be achieved if the facture fluid was of high salinity 2) an optimum fracture response is created when the primary source field is parallel to the well casing but perpendicular to the fracture direction. In mid-July, 2014 we installed an array of more than 100 surface sensors, distributed above the treatment wells and extending for approximately 1 km north and 750 m eastward. We applied a 0.6 Hz square wave signal to a downhole current electrode located in a horizontal well 200 m offset from the treatment well with a return electrode on the surface. The data were transmitted to a recording trailer via Wi-Fi where we monitored receiver and transmitter channels continuously in a 72-hour period which covered 7 frac stages, three of which were high salinity. Although the background conditions were very noisy we were able to extract a clear signal from the high salinity stages. Initial data interpretation attempts consisting of trying to directly invert collected data using a simple background starting model did not produce reasonable models. We next used a simulated data set to develop a constrained inversion workflow that places the downhole fracture in the correct location. Finally, we used a combination of forward and inverse models to fit the collected data to a model that incorporated 3 frac stages. This project provided a first-of-its-kind application of EM technology to map an induced fracture. The results demonstrated a clear anomaly during the operation that can be fit to a reasonable model of an induced fracture.

42 ENGINEERING↗

Fundamental Neutron Physics: Theory and Analysis

The goal of the proposal was to study the possibility of searching for manifestations of new physics beyond the Standard model in fundamental neutron physics experiments. This involves detailed theoretical analyses of parity- and time reversal invariance-violating processes in neutron-induced reactions, properties of neutron β-decay, and the precise description of properties of neutron interactions with nuclei. To describe neutron-nuclear interactions, we use both the effective field theory approach and the theory of nuclear reaction with phenomenological nucleon potentials for the systematic description of parity- and time reversal-violating effects in the consistent way. A major emphasis of our research during the funding period has been the study of parity violation (PV) and time reversal invariance violation (TRIV) in few-body systems. We studied PV effects in non-elastic processes in three-nucleon system using both ”DDH-like” and effective field theory (EFT) approaches. The wave functions were obtained by solving three-body Faddeev equations in configuration space for a number of realistic strong potentials. The observed model dependence for the DDH approach indicates intrinsic difficulty in the description of nuclear PV effects, and it could be the reason for the observed discrepancies in the nuclear PV data analysis. It shows that the DDH approach could be a reasonable approach for analysis of PV effects only if exactly the same strong and weak potentials are used in calculating all PV observables in all nuclei. However, the existing calculations of nuclear PV effects were performed using different potentials; therefore, strictly speaking, one cannot compare the existing results of these calculations among themselves.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Report on study of accelerating structures for muons in the velocity range of β=v/c=0.08-0.3 for J-PARC (g-2)/EDM experiment

We explored three types of structures for muon acceleration in the beam velocity range β = 0.08-0.3. Somewhat surprisingly, the venerable DTL looks like the best option based on its low maximal field, reasonable efficiency, and simplicity. It also provides the largest flexibility of the beam focusing options. The accelerating gradient for the DTL is the highest of the considered designs, and can be further increased if needed. The IH-APF structure, the baseline choice, is very attractive due its efficiency and potentially lower fabrication cost. However, detailed EM analysis indicated some reasons for concern, mainly related to the high maximal electric fields. We suggested to change the cavity design to CH type, which leads to a novel type of structure, CH-APF. Dr. M. Otani produced the CST model of CH-APF, and preliminary results of its EM analysis are encouraging. Unfortunately, the fabrication of CH-APF structure is likely more complicated than for IH-APF.

43 PARTICLE ACCELERATORS↗

Accountability Tanks Calibration Data Analysis

MET-1 utilizes tanks to store plutonium in solution. The Nuclear Material Control & Accountability group at LANL requires that MET-1 be able to determine the amount of SNM remaining in solution in the tanks for accountability purposes. For this reason it is desired to determine how well various operators may read the volume of liquid left in the tank with the tank measurement device (glass column or slab). The accuracy of the measurement is then compared to the current SAFE-NMCA acceptance criteria for lean and rich plutonium solutions to determine whether or not the criteria are reasonable and may be met.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Final report for SERDP WP-2209 Replacement melt-castable formulations for Composition B

During this project we investigated a number of energetic materials both old and new and determined that most of them were unsuitable due to safety or sensitivity reasons. Unsuccessful coformulants include TNAZ and BNFF for volatility reasons, and DAAF due to thermal compatibility issues. The powerful explosive HMX became a focus of the work in later stages as it conferred excellent power while being commonly available in well-regulated particle size lots and is chemically compatible in the melt with many coformulants. Ultimately three preferred formulations emerged from this work: a formulation tested on large scale by ARDEC involving PrNQ and HMX; a formulation tested at ARDEC and LANL using a nitrate salt eutectic and HMX; a formulation tested at LANL using LLM-201 and HMX.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Time Dependent Data Mining in RAVEN

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The goal of this type of analyses is to understand the response of such systems in particular with respect their probabilistic behavior, to understand their predictability and drivers or lack of thereof. Data mining capabilities are the cornerstones to perform such deep learning of system responses. For this reason static data mining capabilities were added last fiscal year (FY 15). In real applications, when dealing with complex multi-scale, multi-physics systems it seems natural that, during transients, the relevance of the different scales, and physics, would evolve over time. For these reasons the data mining capabilities have been extended allowing their application over time. In this writing it is reported a description of the new RAVEN capabilities implemented with several simple analytical tests to explain their application and highlight the proper implementation. The report concludes with the application of those newly implemented capabilities to the analysis of a simulation performed with the Bison code.

97 MATHEMATICS AND COMPUTING↗

Nonlinear Time Domain Seismic Soil-Structure Interaction (SSI) Deep Soil Site Methodology Development

Currently the Department of Energy (DOE) and the nuclear industry perform seismic soil-structure interaction (SSI) analysis using equivalent linear numerical analysis tools. For lower levels of ground motion, these tools should produce reasonable in-structure response values for evaluation of existing and new facilities. For larger levels of ground motion these tools likely overestimate the in-structure response (and therefore structural demand) since they do not consider geometric nonlinearities (such as gaping and sliding between the soil and structure) and are limited in the ability to model nonlinear soil behavior. The current equivalent linear SSI (SASSI) analysis approach either joins the soil and structure together in both tension and compression or releases the soil from the structure for both tension and compression. It also makes linear approximations for material nonlinearities and generalizes energy absorption with viscous damping. This produces the potential for inaccurately establishing where the structural concerns exist and/or inaccurately establishing the amplitude of the in-structure responses. Seismic hazard curves at nuclear facilities have continued to increase over the years as more information has been developed on seismic sources (i.e. faults), additional information gathered on seismic events, and additional research performed to determine local site effects. Seismic hazard curves are used to develop design basis earthquakes (DBE) that are used to evaluate nuclear facility response. As the seismic hazard curves increase, the input ground motions (DBE’s) used to numerically evaluation nuclear facility response increase causing larger in-structure response. As ground motions increase so does the importance of including nonlinear effects in numerical SSI models. To include material nonlinearity in the soil and geometric nonlinearity using contact (gaping and sliding) it is necessary to develop a nonlinear time domain methodology. This methodology will be known as, NonLinear Soil-Structure Interaction (NLSSI). In general NLSSI analysis should provide a more accurate representation of the seismic demands on nuclear facilities their systems and components. INL, in collaboration with a Nuclear Power Plant Vender (NPP-V), will develop a generic Nuclear Power Plant (NPP) structural design to be used in development of the methodology and for comparison with SASSI. This generic NPP design has been evaluated for the INL soil site because of the ease of access and quality of the site specific data. It is now being evaluated for a second site at Vogtle which is located approximately 15 miles East-Northeast of Waynesboro, Georgia and adjacent to Savanna River. The Vogtle site consists of many soil layers spanning down to a depth of 1058 feet. The reason that two soil sites are chosen is to demonstrate the methodology across multiple soil sites. The project will drive the models (soil and structure) using successively increasing acceleration time histories with amplitudes. The models will be run in time domain codes such as ABAQUS, LS-DYNA, and/or ESSI and compared with the same models run in SASSI. The project is focused on developing and documenting a method for performing time domain, non-linear seismic soil structure interaction (SSI) analysis. Development of this method will provide the Department of Energy (DOE) and industry with another tool to perform seismic SSI analysis.

58 GEOSCIENCES↗

Skin Effect Simulation for Area 11 Dense Plasma Focus Hot Plate

Two arc flashover events occurred at the DPF Area 11 facility. These flashover events happened in the same location on the bank current delivery plates. The damage from one of these events can be seen on the left-hand side of Figure 1. Since the flashovers occurred in the same area of the bank, and the reliability of the bank is important for future DPF experiments, a failure analysis effort was initiated. Part of this failure analysis effort was an effort to understand the physical reasons behind why the flashover happened, and why it happened in the same place twice. This paper summarizes an effort to simulate the current flow in the bank in order to understand the reasons for the flashover.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗