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At least 1,567 records · Page 87

Polarization Experiments with Electromagnetic Probes (Final Technical Report)

The grant started in 1989 and finished on 31 July, 2018. The PI (Vina Punjabi) with many Norfolk State University (NSU) undergraduate students, and several research associates have been involved in many research activity during this period. NSU is primarily a minority institution. The PI has worked with one or two students every year, most of the students involved in her research went on to graduate schools to pursue degrees in physics, applied physics or engineering. One of the most important goal of the PI’s research activity has been involving NSU physics undergraduate students in forefront nuclear and particle physics research. (List of students and research associates is given in Appendix I). Over the years the PI, students and research associates participated in many research activity, however there are two main projects where the PI has been involved as one of the project leader. (1) Investigation of the structure of the deuteron at Saturne national lab in Saclay, France and at Laboratory of High Energy (LHE), part of the Joint Institute of Nuclear Research (JINR) lab in Dubna, Russia. (2) Measurement of the ratio of electric to magnetic form factors of the proton , GEp/GMp at Jefferson Lab, to study the internal structure of the proton.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Interaction between Heat Pump Water Heaters or Other Internal Point Source Loads and a Central Heating System

Water heating represents approximately 18% of residential energy consumption, or 4.6 quadrillion Btus of source energy use annually (EIA 2009). Heat pump water heaters (HPWHs) offer an efficient option for residential water heating, with the ability to reduce water heating energy consumption by up to 63%. Previous research has demonstrated the laboratory performance of HPWHs and has shown savings of 43 to 62% on water heating energy consumption are possible, based on field tests (Ecotope 2015). In order to achieve such high efficiencies, HPWHs employ a refrigeration cycle to move heat from the ambient air into the water. Therefore, when HPWHs are installed in conditioned space, they will remove heat from that space which can help the HVAC system in the cooling season and require additional energy from the HVAC system in the heating season. This project provides an unbiased evaluation of the space conditioning interactions between a HPWH and the heating system in several locations throughout the home to further our understanding of the impact that HPWHs have on space conditioning loads. This report explores the HPWH interaction factor from several perspectives: (1) a theoretical analysis, (2) a review of previous literature, and (2) an experimental assessment. The experiments were conducted in PNNL’s side-by-side Lab Homes, which provide a platform for evaluating energy-saving and grid-responsive technologies in a controlled environment. The PNNL Lab Homes are two factory-built homes installed on PNNL’s campus in Richland, Washington. The homes represent existing homes, which account for approximately 99% of occupied homes in the U.S. These 1500 ft2 homes have three bedrooms, two bathrooms, and are equipped with 7.7 HSPF heat pump and an electric forced air furnace. Both homes have R-22 floors, R-11 walls and R-22 ceiling insulation levels, with double-pane clear glass windows. The results of this experiment verified that the energy use of the HVAC system increases as a point source cooling load, like a HPWH, is moved closer to the thermostat. The opposite is also true, as a point source heating load is moved closer to the thermostat, the heating load decreases. The results show between 30-40% difference between the interaction that this type of load has when it is placed in the master bathroom compared to the living room for the PNNL Lab Homes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Leveraging a Fundamental Understanding of Fracture Flow, Dynamic Permeability Enhancement, and Induced Seismicity to Improve Geothermal Energy Production

This project focused on assessment and discovery of fluid-rock interaction in geothermal reservoirs. We accomplished work in four main areas: 1) fracture formation and the relationship between fluid flow and shear failure, 2) assessment of fracture geometry and fluid permeability using novel acoustic measurements, 3) an improved understanding of how drilling, injection and geothermal production influence local seismicity, and 4) development of process based models for using induced seismicity to assess the critical stress-state in Earth’s crust. The majority of the work involved laboratory experiments and analysis of laboratory and numerical results. We created shear fractures under true triaxial stresses designed to mimic the stress state of a geothermal reservoir and we measured fracture permeability as a function of stress state and fluid pressure under these conditions. Our work shows that fracture permeability can be altered by transient changes in stress and fluid flow. We find that fluid pressure has an unexpectedly larger impact on permeability than does applied stress and we interpret that result in terms of fracture contact area and the law of effective stress. We employ elastic waves to image fractures in the lab and develop the theory to apply our work to geothermal reservoir scale. Our work documents changes in elastic wave speed prior to earthquake-like failure in the lab and we show how the frequency magnitude distribution of microseismic lab earthquakes can be used to assess the critical stress state around faults prior to failure.

15 GEOTHERMAL ENERGY↗

Multifamily Building Stock Modeling: Cooperative Research and Development Final Report, CRADA Number CRD-17-00701

U.S. multifamily buildings house 35 million households, consuming 4 quads of source energy and spending $48 billion on utility bills every year. Almost all of these households live in urban areas, where cities are taking the lead on setting aggressive energy goals. Cities currently do not have the data and tools necessary to identify and target opportunities to save energy in their building stock. Building on the open-source, OpenStudio-based ResStock platform, this project will extend the publicly-available ResStock modeling capabilities to the multifamily sector, enabling Radiant Labs, and others, to partner with cities to market and strategically deploy cost-effective, energy efficiency (EE) upgrades directly to high-priority households. Radiant Labs has been successful in using ResStock's single-family capabilities to provide value to the City of Boulder, Colorado. However, lack of multifamily capabilities in ResStock is a roadblock for Radiant Labs working with New York City, San Francisco, Washington, D.C., and other cities that have expressed significant interest in working with them. In addition, other cities, companies, and utilities can use these open-source capabilities to grow their EE portfolios, thereby multiplying the impact of this project. This work also enables national-scale analysis of EE potential in multifamily buildings, which is of strong interest to a variety of stakeholders, including the U.S. Department of Energy (DOE) Office of Energy Policy and Systems Analysis (EPSA), DOE Weatherization Assistance Program (WAP), U.S. Department of Housing and Urban Development (HUD), and the Bonneville Power Administration (BPA).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Production of Medically Important Radionuclides 52 Mn and 90 Nb

Over the final reporting period of this project, we at MGH finalized our effort on Project 2: Production and Characterization of 90 Nb which, as per our previous report led us to an interesting application of mass spectrometry in radiometal chemistry. Overall, our research has developed parameters and procedures for delivering high 90 Nb for preclinical and translational applications by initializing the cyclotron targetry and separation chemistry for delivering 90 Nb in a chemical form suitable for subsequent development of 90 Nb-based PET radiotracers, and most recently we have published on the mass spectrometry applications described in the present report. We have been working with MSKCC (PI Jason Lewis) on the 90 Nb methodology and have had input from UAB (PI Suzy Lapi). An in-person meeting was held during the upcoming funding period with 2 PIs who are co-organizing the Radiochemistry Symposium (Lapi and Vasdev) and Program Director Dr. Ethan Balkin, during the ACS National Meeting in March 2018, and 2 PIs (Lewis and Vasdev) co presented in at the World Federation of Nuclear Medicine and Biology at a symposium sponsored by the Australian Nuclear Sciences and Technology Organisation, where they are both collaborating, in Melbourne, Australia in April 2018. Future projects and collaborations are under discussion with the Lapi lab to focus on new applications of 76 Br chemistry, and a new collaboration has already resulted with the Lewis lab on 18 F radiochemistry that employ iodonium ylide based precursors developed in the Vasdev lab, for clinical production of [ 18 F]MFBG. It is noteworthy that the PI has now relocated to the University of Toronto and has 2 cyclotrons (IBA Cyclone and Scanditronix MC-17) that will also be used to explore new 11 C-radiochemistry including [ 11 C]CO.

07 ISOTOPE AND RADIATION SOURCES↗

High Quantum Efficiency Uni-Traveling-Carrier Photodiode for Optical to Microwave Transduction

Modern Quantum Information Systems (QIS) employ optical photons for long distance communication, operating at ambient temperature, between microwave cavities, which house microwave photons used in quantum computing and microwave detection. These optical photons, carried by fiber-optic or free-space links, offer a low-cost, uncooled alternative to bulky, expensive microwave coaxial cables, which are lossy, susceptible to EMI, and a significant thermal conductor to the outside ambient environment. To convert between these two types of photons and implement these optical interconnects, it is necessary to develop a high-performance photodetector for optical to microwave transduction. Freedom Photonics and the University of Virginia have a well-established partnership in developing high-performance photodiodes. In this Phase I effort, we collaborated in designing, fabricating, and testing an advanced, high-speed, high quantum efficiency prototype photodiode for transduction from optical to microwave frequencies. These devices have applications not only in quantum computing and axion detection, but also in other optical-cryogenic interconnect applications, in fields such as radio astronomy and quantum cryptography, as well as in quantum metrology and plasmonics. During this Phase I DOE program, we designed, fabricated, and tested prototype PIN GaAs photodiodes which targeted the performance parameters defined by the program. This process involved identifying a new target wavelength, different from that proposed initially, based on conversations with the Oak Ridge National Lab customer. We designed an epitaxial stack, optimized in theory for ≥95% quantum efficiency at 795 nm, ≥5 GHz, per the target objectives of the program. Additionally, we designed a fabrication process and associated mask plates for top-illuminated, AR-coated devices with device diameters ranging from 50 µm to 800 µm. Using these, we fabricated two 3” wafer quarters of devices, and characterized the devices’ dark current, quantum efficiency, and bandwidth for various device diameters. The prototype devices achieved a quantum efficiency of 89% at the target 795 nm detection wavelength. The bandwidth of the devices proved tricky to characterize, but a 50 µm diameter device shows a 3-dB bandwidth of at least 1.6 GHz, possibly a full 5 GHz, depending on the measurement setup. In the future, we plan to characterize the bandwidth of these devices using an impulse response measurement. All tasks for the Phase I were successfully completed, and sample prototype devices were provided to Oak Ridge National Lab Quantum Information Science researchers. The work performed in Phase I has established a strong foundation for future design and fabrication cycles in Phase II, if granted. The early tests at Oak Ridge National Labs will provide guidance for the required photodiode performance in devices to be supplied in Phase II.

42 ENGINEERING↗

Entrepreneurial Community Feedback on the National Laboratory Accelerator Pitch Competition

Twelve DOE National Labs came together for a Pitch Event as the culmination of the National Lab Accelerator Program. The event was a showcase of Department of Energy innovation where National Laboratory scientists pitched to seasoned investors in an exciting completion. Approximately 60 people attended the September 25th event, bringing together National Lab researchers, technology transfer professionals and the business investment community for a day of technology and business model evaluation and valuable networking.

99 GENERAL AND MISCELLANEOUS↗

PVMI Bay Area Photovoltaic Consortium (Final Report)

The Bay Area Photovoltaic Consortium (BAPVC) was formed to fund university research on technologies industry will use and thereby investigate new ways for the photovoltaic (PV) industry and university scientists to identify and explore research priorities. Our thesis is that great innovation is more likely stimulated by the collective efforts of manufacturing and academic experts working together rather than direction from either community alone. The consortium is quite effective in promoting the interactions needed to form collaborative teams, often engaging industry members as research participants. All similar university research consortia employ their industry members in advisory capacity. In BAPVC, industry members deliver far more than guidance and advice. They are part of the management team. They review and down select proposals, review projects, and guide the university researchers is setting their research directions. The BAPVC Industry Board holds executive authority over the strategy and operations of the consortium. BAPVC is a consortium led by Stanford University (SU) and University of California at Berkeley (UCB) joined by three leading DOE labs—Lawrence Berkeley National Laboratory, SLAC National Laboratory, and the National Renewable Energy Lab. BAPVC’s success is attributed to its three pillars of support. Three Pillars: (1) Industry sets research agenda, assures relevance, provides path to commercial impact, and contributes funding. (2) Universities and National Labs conduct innovative research and provide workforce development. (3) US Department of Energy provides leadership, support and guidance. Since inception in 2011, BAPVC funded 72 projects involving 26 organizations. Bringing together the differing backgrounds of industry and university participants stimulates innovation. BAPVC’s cultivation of larger collaborative projects among university investigators has also produced notable results. This report will highlight BAPVC contributions in several exciting PV technologies including perovskite/silicon tandem cells, CdTe, reliability and adhesion metrology, ultra-thin silicon cells and application of carrier selective contacts in silicon PV that all owe a portion of their success to cross-consortium collaboration. More importantly, many of the BAPVC-fostered teams have successfully bid for additional support from other sources and continue to expand their productivity. In one case, we report a recent Nature Energy paper published by a team including both university members and two industry members (separate companies) in a collaborative analysis of thin-film tandem cells. Our original proposal set ambitious goals – “BAPVC is composed of the industry members and prestigious universities needed to add substantial value to the open and competitive process of providing universities all over the nation with funding to perform industry-relevant R&D…Our consortium will accelerate the coordination of stakeholders across the solar industry and academic sectors into a cohesive research force developing innovative solutions to the key industrial issues.” While the PV landscape has undergone vast change during the period of this award, BAPVC and its research and industry members have adapted, delivering the promised cohesive research force for the benefit of DOE and the public.

14 SOLAR ENERGY↗

Computational Design and Development of a New, Lightweight Cast Alloy for Advanced Cylinder Heads in High-Efficiency, Light-duty Engines

The objective of the collaborative multi-year Cast Lightweight Alloy program was to develop a new, lightweight, cast aluminum alloy for automotive engines with better high temperature properties than the incumbent alloys (B319, A356, A356+0.5Cu) to allow for more efficient engine operation. The program kicked off with the generation of alloy concepts and selecting alloy models with specific milestones for establishing property requirements, generating design concepts and selecting models for casting design. Following this, sub-scale prototypes of the promising design concepts were cast and characterized in order to validate the design concepts and develop data for subsequent model calibration and improvement. Using the calibrated models, a set of alloy designs were created. This first generation set of designs were validated through production and characterization of lab-scale castings. With the learnings from the lab-scale prototypes and the improvements in the computational models, final embodiment design of the new alloy was completed. The final alloy designs were cast at lab-scale and also at component-scale to characterize its final properties. An alloy recyclability analysis and cost modelling was also performed.

36 MATERIALS SCIENCE↗

Motorcycle Safety Committee [Slides]

This is a presentation to be sent to various DOE sites as a reference for LANL's Motorcycle Safety Committee and includes how to start and sustain a safety committee and organize events. Examples from LANL's program are included. Contacts from Los Alamos National Lab, Lawrence Livermore National Lab, and Idaho National Lab are provided.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Angle of Incidence Characterization of Six Laminated Solar Cells for 2020 DTU Fotonik Inter-Laboratory Comparison Study

Photovoltaic energy prediction models include functions or modifiers to account for sun angle reflection losses. These functions may be known interchangeably as Angle of Incidence (AOI) or Incident Angle Modifier (IAM). While standards exist, there is no universally accepted single best practice for developing these functions. They can be generated through characterization of representative modules or single cells, in natural sunlight or indoors using simulated light sources. Repeatability of measurements and the viability of cross-laboratory comparisons are critical to confidence in validation of both methods. To investigate the differences between methods and labs, The Technical University of Denmark (DTU) initiated an international round-robin test comparison between several key test labs with AOI measurement capability. A total of six minimodules were provided in three different cell/interconnect/backsheet combinations. Sandia characterized these minimodules using methods developed over two decades specifically for the outdoor characterization of full-size photovoltaic modules. This report documents the characterization results, summarizes key observations and tabulates the processed data for comparison to results provided by other characterization labs.

14 SOLAR ENERGY↗

Final Report – Cooperative Research and Development Agreement between National Energy Technology Laboratory and Oxergy, Inc.

The NETL Raman Gas Analyzer (RGA) has been demonstrated to have an extremely fast response (<1 second) multi-gas analysis capability. All but the noble gases are Raman active, although the Raman interaction is weak. The RGA uses a reflectively lined capillary as the optical cell, providing both a small sample volume for fast gas exchange, and a much greater Raman signal collection than traditional instrument configurations. This allows very fast measurement of fuel gases (hydrogen, methane, ethane, propane) as well as other common industrial gases (carbon monoxide, carbon dioxide, nitrogen, oxygen, and water). This provides a new enabling technology for faster, smarter process control based on the chemical composition of the gases in the process – including improved fuel flexibility and efficiency for power generation systems. Research and development up to 2016 resulted in the construction of two field prototypes of the NETL RGA, which has been in applied to various laboratory applications for testing. The results of the testing have been used to improve the RGA design, with the intent to support technology transfer. The quality of the optical capillary used in the RGA is critical to its performance, and prior work at NETL produced a few optical capillaries superior to those commercially available. The production of high optical quality capillaries, however, was inconsistent in its results. With the support of the DOE Office of Technology Transitions, through the Technology Commercialization Fund program, this project was undertaken to address this commercialization barrier and to also evaluate the possible application of Raman gas analysis to a supercritical water gasification process being developed by Oxergy Inc. Oxergy, a small business located in Fairbanks, Alaska, is developing ultra-compact thermochemical reaction devices built with advanced manufacturing processes. Chief Technology Officer Jonathan Kamler holds the (pending) patent to Oxergy’s core reactor technology. Oxergy maintains wet-lab and combustion-lab space at the University of Alaska Fairbanks Center for Sustainable Living in Palmer, Alaska, where Mr. Kamler operates a pilot-scale, supercritical water gasification system designed and built by Oxergy. Mr. Kamler also operates an All Powers Labs Power Pallet gasifier coupled to a 10KW electrical generator as a dry biomass test platform at the Palmer facility. Both systems are suitable for real-world, collaborative testing of Raman gas analysis applications. The objectives of the CRADA include making the production of high-quality optical capillaries consistent and high yield, investigating other options for optical waveguides, and testing the capillaries for measurements in supercritical water gasification. Success on these objectives will support commercialization of both the RGA and supercritical water gasification technologies. Through the work performed on this project, a new apparatus was constructed and optimized to provide consistent production of high-quality optical capillaries. Several thick-walled capillaries were coated using this apparatus and shipped to Oxergy in September 2018 for testing in both dry gasification and supercritical water gasification process monitoring applications at University of Alaska Fairbanks facilities in Palmer. The strong earthquake near Anchorage and Palmer in November 2018 caused extensive damage and closure of the facilities used by Oxergy, preventing Oxergy from proceeding with experimental testing before the end of the project; the facility has been closed indefinitely. Earthquake damage prohibited the completion of all the project objectives prior to the end of the project. However, significant progress was made toward addressing a core technology commercialization barrier. The largest and most mature potential market for Raman gas analysis is its use in analytical instruments, which require sensitivity and low detection limits, and Oxergy’s market research found that market inertia is a barrier to commercial success in this market. Although NETL’s innovations in capillary coating have substantially improved Raman gas analysis capability, the likely market is expected to be niche applications that value the fast detection of real-time changes in gas composition.

Chorpening, Benjamin↗

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗

Application and Certification of Comparative Vacuum Monitoring Sensors for Structural Health Monitoring of 737 Wing Box Fittings

Multi-site fatigue damage, hidden cracks in hard-to-reach locations, disbonded joints, erosion, impact, and corrosion are among the major flaws encountered in today's extensive fleet of aging aircraft and space vehicles. The use of in-situ sensors for real-time health monitoring of aircraft structures are a viable option to overcome inspection impediments stemming from accessibility limitations, complex geometries, and the location and depth of hidden damage. Reliable, structural health monitoring systems can automatically process data, assess structural condition, and signal the need for human intervention. Prevention of unexpected flaw growth and structural failure can be improved if on-board health monitoring systems are used to continuously assess structural integrity. Such systems are able to detect incipient damage before catastrophic failures occurs. Condition-based maintenance practices could be substituted for the current time-based maintenance approach. Other advantages of on-board distributed sensor systems are that they can eliminate costly, and potentially damaging, disassembly, improve sensitivity by producing optimum placement of sensors and decrease maintenance costs by eliminating more time- consuming manual inspections. This report presents a Sandia Labs-aviation industry effort to move SHM into routine use for aircraft maintenance. This program addressed formal SHM technology validation and certification issues so that the full spectrum of concerns, including design, deployment, performance and certification were appropriately considered. The Airworthiness Assurance NDI Validation Center (AANC) at Sandia Labs, in conjunction with Boeing, Delta Air Lines, Structural Monitoring Systems Ltd., Anodyne Electronics Manufacturing Corp. and the Federal Aviation Administration (FAA) carried out a certification program to formally introduce Comparative Vacuum Monitoring (CVM) as a structural health monitoring solution to a specific aircraft wing box application. Validation tasks were designed to address the SHM equipment, the health monitoring task, the resolution required, the sensor interrogation procedures, the conditions under which the monitoring will occur, the potential inspector population, adoption of CVM into an airline maintenance program and the document revisions necessary to allow for routine use of CVM as an alternate means of performing periodic structural inspects. To carry out the validation process, knowledge of aircraft maintenance practices was coupled with an unbiased, independent evaluation. Sandia Labs designed, implemented, and analyzed the results from a focused and statistically-relevant experimental effort to quantify the reliability of the CVM system applied to the Boeing 737 Wing Box fitting application. All factors that affect SHM sensitivity were included in this program: flaw size, shape, orientation and location relative to the sensors, as well as operational and environmental variables. Statistical methods were applied to performance data to derive Probability of Detection (POD) values for CVM sensors in a manner that agrees with current nondestructive inspection (NDI) validation requirements and also is acceptable to both the aviation industry and regulatory bodies. This report presents the use of several different statistical methods, some of them adapted from NDI performance assessments and some proposed to address the unique nature of damage detection via SHM systems, and discusses how they can converge to produce a confident quantification of SHM performance An important element in developing SHM validation processes is a clear understanding of the regulatory measures needed to adopt SHM solutions along with the knowledge of the structural and maintenance characteristics that may impact the operational performance of an SHM system. This report describes the major elements of an SHM validation approach and differentiates the SHM elements from those found in NDI validation. The activities conducted in this program demonstrated the feasibility of routine SHM usage in general and CVM in particular for the application selected. They also helped establish an optimum OEM-airline-regulator process and determined how to safely adopt SHM solutions. This formal SHM validation will allow aircraft manufacturers and airlines to confidently make informed decisions about the proper utilization of CVM technology. It will also streamline the regulatory actions and formal certification measures needed to assure the safe application of SHM solutions.

42 ENGINEERING↗

Holistic Fuel Cell Electric Vehicle/Hydrogen Station Optimization Model (CRADA CRD-18-00745 Final Report)

The National Renewable Energy Lab (NREL), Argonne National Lab (ANL), Sandia National Lab (SNL), and Frontier Energy, Inc comprise a team that will perform a review of currently available models that can simulate both a hydrogen station and a fuel cell electric vehicle (FCEV), and whose owners are willing to make them available freely. We will then down select to a single model or model pair, secure agreements for their free use, and validate the resulting model or coupled models. For example, we may evaluate an existing 1-D hydrogen fueling model developed by Kyushu University for the Japanese New Energy and Industrial Technology Development Organization (NEDO). The validation will take place using data from various sources, potentially including the European Joint Research Center (JRC) HyTransfer project, SAE testing performed by Powertech to validate SAE J2601, and whole-station validation using the NREL’s Hydrogen Infrastructure Testing and Research Facility (HITRF). The team will make the model and all the validation data open to the public at the end of the project.

1-D hydrogen fueling model↗

Classified library celebrates two-year anniversary print your own commemorative history posters

Today is the National Security Research Center’s second anniversary. These two years, though, have been eight decades in the making, said NSRC Director Riz Ali. “We opened our doors in 2019, but the Center’s beginnings date back to World War II when J. Robert Oppenheimer created the Lab in Los Alamos to develop the first-ever nuclear weapons,” Ali said. “An important part of opening the Lab included standing up a technical reports library. Since then, we have amassed millions of holdings and today we are one of the top research institutions in the country.” What had long-been a repository of classified archival materials is today a dynamic, vibrant library that outsizes the collections of other similar research libraries around the country. Today, the NSRC houses the Laboratory’s classified nuclear weapons research, data and reports, as well as unclassified historical artifacts – the stories, photos, films and more from the people who have been a part of the Lab from the start.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA) (Final Scientific/Technical Report, Subcontract Award No. 6953691)

The overarching objective the Baliga lab is to develop a mechanistic understanding of the field relevant metabolic processes underlying community partitioning of respiration pathways and physiological state shifts. In order to dissect how environmental perturbations influence microbial regulatory networks, we have constructed data-driven models that capture the dynamic interplay between abiotic and biotic factors during laboratory simulations. Specifically, we have developed multiple computational models (i.e., cMonkey2, EGRIN 2.0, and multiple genome-scale metabolic models) connecting environmental influence to genome-encoded regulatory programs. In addition, we have generated new tools such as Live Anaerobic Cell Sorting (LAnCS) and Fluidized Bed Reactors (FBRs) to investigate the dynamics of community partitioning of metabolic processes supporting sulfate or nitrate respiration, which are two critical activities observed from the field site at Oak Ridge National Labs (ORNL). This framework of connecting field phenomena with laboratory simulations and computational modeling has created the Environmental Simulations and Modelling (EnvSim) campaign within ENIGMA. The campaign, which spans multiple laboratories across ENIGMA and is led by the Baliga group, has established synthetic communities (SynComs) to discover, characterize, and dissect key microbial processes relevant to field observations, such as emissions of the greenhouse gas nitrous oxide (N 2 O). For example, the EnvSim campaign so far has deduced four potential mechanisms that may account for the N 2 O emissions at the FRC and are currently being investigated by labs across ENIGMA. Denitrification may be driven by complete denitrifiers, however, their NosZ enzymes, which catalyze the final step in denitrification by converting N 2 O to N 2 , may be sensitive at a lower pH. Additionally, the denitrification process could be partitioned among organisms and some may have pH-sensitive NosZ genes. Another factor contributing to variable N 2 O emissions relates to the metal co-factors involved in the denitrification pathway. For instance, excess Cu, Al, Mn, U, Ni, Co, Cu, and/or Cd may have inhibitory effects on multiple enzymatic steps during denitrification, while the enzymatic production of nitrite, the precursor of N 2 O, can be limited by the essential metal Mo. Lastly, abiotic production of N 2 O may occur as a result of chemodenitrification, in which metals like Fe, Mn, and some organic compounds can drive redox reactions that convert nitrogen cycle intermediates to N 2 O under the right conditions. Current investigations and analyses have generated multiple transcriptomic profiles aiding the refinement of new metabolic and gene regulatory network model for our denitrifying SynCom. In sum, the previous funding cycle has generated 33 peer-reviewed publications spanning predictive network biology to co-operativity of mutualistic interspecies interactions of evolved communities. Our integration of multiple omics datasets and the development of new network modelling tools has revealed important insights that can explain field observed phenomenon and generated new hypotheses to be investigated in the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cooperative Education

M-3 Focused Experiments is a group at Los Alamos National Lab (LANL) and is under the Dynamic Experiments Division. Their work surrounds the diagnostics and study of explosives and their interaction with materials. The data collected is used to better understand the erratic nature of explosions and high velocity projectiles. Through better comprehension of this science, the overall national security will be improved while innovations are made along the way. Despite the strong drive for research and development, the lab holds safety above all else and constantly updates procedures to protect LANL employees and their environment. At any time, there are multiple projects going on at once within the team and I am tasked with assisting the Firing Site Leaders and various research diagnosticians in any way possible with the setup, testing, and execution of data collection for each experiment. Such data includes velocity, fragmentation characteristics, and the spread of energy across the material to name a few. During my summer employment with the lab, my main goal is to maintain a questioning attitude and learn as much possible about the research and development side of science and engineering. Throughout the duration of the Co-op, many experiments will take place at specially designed firing sites which is where I will be spending most of my time.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗