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DOE OSTI2022

Gluon pseudo-distributions at short distances

We present the results that are necessary in the ongoing lattice calculations of the gluon parton distribution functions (PDFs) within the pseudo-PDF approach. We identify the two-gluon correlator functions that contain the invariant amplitude determining the gluon PDF in the light-cone z^2 \to 0 z 2 → 0 limit, and perform one-loop calculations in the coordinate representation in an explicitly gauge-invariant form. Ultraviolet (UV) terms, which contain \ln (-z^2) ln ( − z 2 ) -dependence cancel in the reduced Ioffe-time distribution (ITD), and we obtain the matching relation between the reduced ITD and the light-cone ITD. Using a kernel form, we get a direct connection between lattice data for the reduced ITD and the normalized gluon PDF.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

High Fidelity Computational Model for Fluidized Bed Experiments (Final Report)

MFiX was integrated with preconditioners and linear solver packages in Trilinos via MFIX, Fortran, C, and C++ wrappers. The MFIX wrapper interpreted the structure of the matrix and vector from MFiX while the Fortran wrapper transfers this information to a low-level language, C. C-wrapper transforms the memory semantic between Fortran and C++ language. C++ wrapper passes the matrix and vector to a Trilinos package and gets the solution. This solution was transferred to MFiX via C++, C, Fortran, MFIX wrapper. The framework is used to integrate first, second and third generation linear solvers in Trilinos with MFiX.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2019

A Model for Lean Corporate/ Startup Interfaces: Unlocking Resources of Midcap Corporations Providing a Pathway to Advanced Energy Technologies

Commercializing energy technologies through traditional market pathways is challenging for early-stage energy innovators. Development cycles in energy are long and expensive, and adoption is difficult, making energy technologies of limited interest to venture capital relative to industries with faster growth and shorter product life cycles such as life sciences and software. As such, partnerships with established corporations are one of the most promising, and in some cases only, go-to-market pathways for energy technologies. Startups often seek to work with, large well-known Fortune 500 (and similar) companies. However, the size and risk aversion of those firms often makes partnering challenging. It can take well over 12 months for a large corporation to agree to commercial terms and get internal board / management approval to move forward with a binding agreement with a startup for even a simple starting partnership. This timeline is prohibitive for most early-stage companies who are both time and money constrained, and often working in highly competitive commodity sectors. Mid-cap corporations ($\$ $100M to $\$ $10B) are a promising but untapped resource for partnering with technology developers because they are often nimbler, tend to be fiercely competitive, and are looking for new revenue or cost-saving opportunities. These factors make them both more receptive to disruptive technologies, and more capable of integrating them. However, while Fortune 500 companies often have venturing groups that facilitate the initial connection process, most midcap incumbents do not have the resources to create standalone corporate venture groups. As a result, although they could help each other significantly (startup technologies make midcaps more competitive; midcaps offer a faster commercialization pathway to startups), midcap companies and startups rarely work together. In 2017, ADL Ventures (ADL) received Award #DE-EE0008111 from DOE EERE’s Innovative Pathways program to unlock the domain expertise and material resources of midcap companies. The goal of the award was to support energy technology commercialization via an innovation platform for startups to interface with midcap corporations. During the grant period, we have developed a novel open innovation platform that allows financially conservative incumbents to efficiently engage with energy innovators and startups, thereby unlocking the incumbents’ domain expertise, strategic capital, R&D facilities, supply chain, and pathways to market. We have executed full-scale open innovation challenges for three clients, exceeding the initial proposed goal of two. We also built a diversified opportunity pipeline which resulted in four projects contracted for 2020, meeting the goals of the proposal, with others pending.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

GCD: Current Performance / Issues [Slides]

LANL purchased a man instrument (pulse dilation PMT) from the Sydor Instruments, Inc. The company requests to get experimental data obtained using the instrument, for their record.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

We Are Hiring

At Los Alamos you get an internship customized to your skill level. You receive technical mentoring and professional skill-building opportunities. This is all while working on exciting physics problems. The result? Valuable hands-on experience to help you make decisions about your future. Physics Division can help you expand your horizons, whether you are an undergraduate or graduate student seeking a one-of-a-kind summer internship experience or a post-bachelor’s or post-master’s student ready to hone your experimental research skills.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Next Generation Noble Liquid Detectors

The research program here combines Generic and Directed R\&D for Liquid Noble Gas detectors for neutrino physics and dark matter. In neutrino physics and dark matter research, we are addressing some of the most fundamental questions in particle physics today by studying these tiny particles in the electron family. To study them, detectors must be large, high precision, and ideally have the ability to collect detailed information from both charge and light from neutrino and dark matter interactions. Precision detection combined with large scales can be challenging. Liquid Argon detectors mitigate some of these challenges given the nature of its interaction medium and it’s relatively inexpensive cost per ton. Significant progress has been made in the last 15 years in developing these kinds of detectors to be built and operated at large scales. However there are still challenges and new ideas in moving these detectors from ton scale to kiloton scale. To be able to get the most out of these kinds of detectors directed questions with respect to specific components running and colleting data in the detectors must be understood. As well, new ideas on how to best combine charge and light measurements may lead to new ways to learn new things with these detectors. Experimental test stands to conduct this work, as is done in this proposal, to accomplish both of these goals are critical to address both of these questions. In the test stand enabled under this grant at Yale University’s Wright lab, new developments in efficient small scale setups were developed, instrumentation developed for running and future experiments (the SBND experiment at Fermilab at present, the DUNE experiment in the future) were and will be tested, and new ideas for charge and light determination for new measurements are under study. The long term impact of this work in neutrino physcis is both for the short and long baseline programs originating at Fermi National Accelerator Laboratory. At long baselines, the US flagship DUNE experiment will measure neutrino properties through neutrino oscillations using a beam originating at Fermilab and a massive LArTPC detector sited about a mile underground at the Sanford Underground Research Facility in Lead, South Dakota. Studies here on the high voltage for thes detectors, and ongoing work on charge and light production and collection in the TPC are relevant for the design and data taking of this and other LArTPC detectors to enable them to best measure the neutrinos created at Fermilab that then pass through the detector in South Dakota. What we learn in these detectors may ultimately change the course of how we understand neutrino’s impact in the early universe. What we learn about how to improve this detection technology and develop new ideas in Lar detectors in general may impact both future neutrino experiments and dark matter experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Criticality Control Overpack Fire Testing (Phase III)

This report will describe the one test conducted during phase III of the Pipe Overpack Container (POC) test campaign, present preliminary results from these tests, and discuss implications for the Criticality Control Overpack (CCO). The goal of this test was to see if aerosol surrogate material inside the Criticality Control Container (CCC) gets released when the drum lid of the CCO comes off during a thirty-minute long, fully-engulfing, fire test. As expected from POC tests conducted in Phase I and II of this test campaign, the CCO drum lid is ejected about one minute after the drum is exposed to fully-engulfing flames. The remaining pressure inside the drum is high enough to eject the top plywood dunnage a considerable distance from the drum. Subsequently, most of the bottom plywood dunnage supporting the CCC burns off during and after the fire. High pressure buildup inside the CCC and inside two primary containers holding the surrogate powder also results in damage to the filter media of the CCC and the filter-house, thread attachment of the primary canisters. No discernable release of surrogate powder material was detected from the two primary containers when pre- and post-test average mass were compared. However, when the average masses are corrected to account for possible uncertainties in mass measurements, error overlap does not preclude the possibility that some surrogate powder mass may have been lost from these primary canisters. Still, post-test conditions of the secondary canisters enclosing these two primary canisters suggest it is very unlikely this mass loss would have escaped into the CCC.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Sizing Small-Scale Renewable Energy Systems for the Navajo Nation and Rural Communities

The Navajo Nation consists of about 55,000 residential homes spread across 27,000 square miles of trust land in the Southwest region of the United States. The Navajo Tribal Utility Authority (NTUA) reports that approximately 15,000 homes on the reservation do not have electricity due to the high costs of connecting rural homes located miles from utility distribution lines. In order to get these rural homeowners access electricity, NTUA and other Native owned companies are examining small-scale renewable energy systems to provide power for necessary usage such as lighting and refrigeration. The goal of this study is to evaluate the current renewable deployment efforts and provide additional considerations for photovoltaic (PV) systems that will optimize performance and improve efficiency to reduce costs. There are three case studies presented in different locations on the Navajo Nation with varying solar resource and energy load requirements. For each location, an assessment is completed that includes environmental parameters of the site- specific landscape and a system performance analysis of an off-grid residential PV system. The technical process, repeated for each location, demonstrates how the variance and uniqueness of each household can impact the system requirements after optimizations are applied. Therefore, the household variabilities and difference in locations must be considered. The differing results of each case study suggests additional analysis is needed for designing small-scale PV systems that takes a home-land-family specific approach to allow for better efficiency and more flexibility for future solar innovations to be considered for overall cost reductions.

14 SOLAR ENERGY↗

DOE OSTI2020

w18_plxa Final Report Viewgraphs [Slides]

For our fusion concept, we want to look at the influence of: 1) Density perturbations of the liner [shell that pushes on the target to get the target to fusion conditions] and 2) Magnetic field and anisotropic conductivity effects. On the compression of the target (final ion temperatures, without nuclear reaction calculations)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Initial Atmospheric Transport of Particles

A new version of the Initial Atmospheric Transport (IAT) model has been developed. This report fully characterizes the new model. IAT is designed to model heat release into the atmosphere that contains contaminated particles. The heat release forms a buoyant puff or plume. Buoyancy is quickly dissipated in 10's to 100's of seconds through drag and entrainment of ambient air. The final location of contaminant particles in the atmosphere after dissipation of abnormal heat is an important input to long term transportation codes such as the National Oceanic and Atmospheric Administration's (NOAA) Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) code. Ultimately the settling of contaminants after long term transport provides a basis for estimating health consequences. In comparison to the old version, the new model includes explicit simulation of particles, newly formulated equations of motion for a rising puff, and a new plume model. The plume model releases many instances of a single puff along a single trajectory in a way that balances energy released over a longer period than would be appropriate for a single puff. The puff model has additions for vorticity, turbulence, virtual mass, drag, and entrainment. The particle model leads to direct interfacing between IAT and the long-term transport code HYSPLIT. Previously, particle locations were given a pattern based on IAT's puff trajectory with no particle simulation. Now, particles are explicitly simulated, and 3-D spatial distributions of particles are output based on final positions. Ballistic particles are thrown outward at high velocity from explosive events and tend to hit the ground before the end of the simulation. Non-ballistic particles tend to get pulled into the rising puff s ring of vorticity with some escaping to ambient conditions as buoyant energy dissipates. A new model verification and validation effort was made for the new plume model. The Wallops Island Solid Rocket Propellant (SRP) fire plume was extracted to a 3-D transient dataset. After calibration, the model performs better than previous single puff attempts. Even so, error levels in the process used to estimate location and ambient weather conditions approach 30%. This leads to the conclusion that unplanned photogrammetry evaluations of the IAT model are useful but not sufficiently accurate to quantify model parameters. Like previous attempts, the vertical motion entrainment parameters come out much too high in comparison to values for other studies in the literature. It is suspected that a new model of shear entrainment would alleviate this problem. Unfortunately, IAT already has more calibration parameters than the data comparisons thus far can resolve with statistical certainty. This underscores the need to verify and validate the IAT model using detailed CFD studies that allow ideal statistical comparison with the IAT model for hundreds of cases. Even so, validation by comparison to carefully planned experiments (i.e. with acceptable error levels) is also necessary because the dynamics of entrainment are at a sub-grid level for CFD. Though better validation and verification are most important, many new enhancements are still envisioned for future IAT development. These include particle rain out due to condensation and agglomeration of water, direct connection to the North American Mesoscale (NAM) weather dataset, dynamic weather conditions, including ambient particle entrainment into the puff, and detrainment at the puff to ambient mixing interface. In general, including detailed aerosol dynamics is the greatest coming challenge which will require an entire new sub-model in IAT. This is very important if contaminant particles change in such a way that they increase or decrease in their potential harm to the environment.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Nucleosynthesis Probes of Cosmic Explosions [Slides]

GW170817 demonstrated the potential of GW+EM observations of NS mergers: most direct observation of r-process production to date. But what can we really learn from the observations. Getting from the observations to constraining properties of the merger ejecta requires multiple aspects of simulation (merger, disk calculations, and radiation flow) and physics (atomic, nuclear cross-section, dense nuclear matter, neutrino, …). Can we maximize what we can do with observations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Executive Micro-CT Low-resolution Summary for Catheter Parts [Slides]

Data scans were performed on a Zeiss Xradia 520 Versa operated by departments 1851 (Philip Noell) and 1819 (James Griego). Sample 1, 2, and 3 Catheters were scanned with a 30 um pixel (low-resolution) to get an overall view of the part. (This does not include the entire height of the catheter assembly.) The following slides show the Z, Y, and X slice plane at a specific cross-hair location. We can perform a higher resolution scan down to —0.7 um pixel size including a limited field of view of ~700 um wide. Slide 5 has some requests for the customer for further scan locations. These catheters were provided to us by Simon Dunham of Weill Cornell Medical College.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Simulating Buildings While the Design is Still in the Architect's Imagination

Very early in the design process, prior to drawing a single line, architects get information from their client or prospective client trying to understand the nature and requirements of the building that needs to be designed. The design of the building is completely fluid, as the architect considers many options in their imagination. The overall massing of the building, the general shape and form, are being considered during this early step. Even for a simple box-shaped building, the aspect ratio between the east-west and the north-south dimensions of the building can greatly impact energy consumption due to daylighting availability. The prevailing winds and building orientation can impact natural ventilation. The locations of high and low population density spaces can also impact energy use. Deciding the floor area per office workstation or the size of the auditorium will impact energy use. Does making a building two stories instead of one reduce energy impacts by reducing roof area or does the additional volume for stairs and elevators result in more energy use. Since certain types of spaces require more windows for occupants than others, the locations of those spaces will determine how much glazing each building orientation has impacting daylighting as well as heating and cooling energy. The project was an attempted first step toward creating a system tailored toward architects for this very early stage in the design process to help them understand the energy impacts of design options. The approach was not to be based on drawing the building, and instead, the main inputs would have been the size of each type of space in the building. This report describes information gathered during the development that might be of use to others developing similar software as well as some of the software that was developed during the project. Phase II funding to continue this work was not pursued due to intellectual property issues discovered during the development of the commercialization plan.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Recovery of Rare Earth Elements (REEs) from Coal Mine Drainage, Phase 2

Phase 1 research identified a two-step refining train, acid leaching of AMD precipitate feed followed by solvent extraction (SX), to produce a 2% TREE product. For the Phase 2 bench scale system, the objective was to get the acid leaching step to operate in batch-mode with sufficient storage capacity to feed an aqueous, enriched REE liquor to a pilot SX plant operating in continuous-mode at a feed rate capable of producing 3 g/hr 2% TREE. Important process variables included feed rate, extractant makeup, flowsheet configuration, and stripping conditions. Operating parameters were optimized through a feedback-capable SCADA system configured for the SX bench scale plant. These conditions were met and exceeded. TREE grades approaching 90% were produced while our Techno-Economic Assessment indicated highly favorable economic returns. The project led to the design of a pilot facility for producing roughly 500 kg/TREE/year. That plant is now in the procurement stage with constructed expected to begin in late 2020.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Wide Band-Gap Perovskites for Tandem Photovoltaics

This research was aimed at development of a mechanically-stacked, perovskite Multi-Junction Solar Cell in which (1) at least one Junction is made of metal-halide perovskite and (2) the Junctions are manufactured in parallel and then stacked to create the final module. This technology presented significant advanced manufacturing challenges and opportunities in getting to scale, including materials scale-up and the development of novel roll-to-roll processing and encapsulation methods. Research conducted was also applicable to a monolithically-integrated perovskite Multi-Junction Solar Cell, in which the two or more Junctions are integrated and electrically connected. The project explored the following technical opportunities in conjunction with the Cyclotron Road mentored entrepreneurial research experience: Fabrication of inorganic heterojunction layers on both sides of a perovskite semiconductor, and modification of interfaces; developed transparent electrode layers on both sides of a perovskite semiconductor; and developed a prototype and optimized perovskite Junction Solar Cell.

14 SOLAR ENERGY↗

DOE OSTI2020

Low-cost & Energy Dense Batteries for Transportation

The project sought to explore development of novel polymer separator materials and additives for Li-S and Li-ion batteries that would solve critical failure modes and performance bottlenecks for these chemistries. This technology presented significant advanced manufacturing challenges and opportunities in getting to scale, including materials synthesis scale-up, large-area polymer processing techniques, electrode formulation, and the development of coin and pouch cells for electrochemical energy storage. Specific accomplishments included synthesis of organic molecular and polymer materials designed to solve outstanding challenges in electrochemical cells. The primary focus of new materials design was aimed at improving longevity, power, cost reduction, and environmental sustainability of said electrochemical devices. The project also involved assembly and characterization of electrochemical devices with standard galvanostatic and potentiostatic techniques as well as electrochemical impedance spectroscopy.

25 ENERGY STORAGE↗

DOE OSTI2020

Recovery of Rare Earth Elements (REEs) from Coal Mine Drainage, Phase 2

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Facility Location Optimization Model for COVID-19 Resources

In response to anticipated resource shortfalls related to the treatment and testing of COVID-19, many communities are planning to build additional facilities to increase capacity. These facilities include field hospitals, testing centers, mobile manufacturing units, and distribution centers. In many cases, these facilities are intended to be temporary and are designed to meet an immediate need. When deciding where to place new facilities many factors need to be considered, including the feasibility of potential locations, existing resource availability, anticipated demand, and accessibility between patients and the new facility. In this project, a facility location optimization model was developed to integrate these key pieces of information to help decision makers identify the best place, or places, to build a facility to meet anticipated resource demands. The facility location optimization model uses the location of existing resources and the anticipated resource demand at each location to minimize the distance a patient must travel to get to the resource they need. The optimization formulation is presented below. The model was designed to operate at the county scale, where patients are grouped per county. This assumption can be modified to integrate other scales or include individual patients.

60 APPLIED LIFE SCIENCES↗