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National Virtual Biotechnology Laboratory: Report on Rapid R&D Solutions to the COVID-19 Crisis

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply short ages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. Within months, NVBL teams produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment (PPE), creating nearly 1,000 new jobs. They used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported U.S. Food and Drug Administration (FDA), Centers for Disease Control and Prevention (CDC), and U.S. Department of Defense (DoD) efforts to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. NVBL teams also studied how to control indoor virus movement to minimize uptake and protect human health. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development (R&D) solutions. As the fight against COVID continues, sustained efforts are needed to confront this pandemic as well as future threats. Examples include: 1) Establishing “supply chains on demand” to meet emergency production needs by leveraging the materials and manufacturing expertise of DOE national laboratories and developing advances in electronics, sensing, robotics, and automation capabilities; 2) Improving the speed and robustness of drug discovery by integrating experimental platforms with DOE’s computational and experimental user facilities, which provide unique resources to support the discovery of high-potential therapeutic agents; 3) Protecting public, environmental, and animal health by developing new testing protocols and instrumentation adaptable to diverse sample types (both physiological and environmental) to quickly detect a wide range of pathogens and monitor other biorisks; 4) Supporting near-real-time data needs of decision-makers at the local, regional, state, and national levels by advancing data curation, analysis, and modeling using artificial intelligence and new data science tools for managing and evaluating large diverse datasets; 5) Harnessing DOE’s expertise in environmental modeling to design rooms and air handling for offices, classrooms, restaurants, and other structures to minimize biorisk transmissions. Going forward, NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, the Office of Science will continue to be an integral component of agency wide efforts to prepare for and respond to biorisks and other crises.

42 ENGINEERING↗

A Full-Scale Fire Program to Evaluate New Furnishings and Textile Materials Developed by the National Aeronautics and Space Administration

The plans for the present series of full-scale experimental fires were initiated at the suggestion of NASA following the presentation of a film and discussion illustrating Battelle-Columbus' recent work in fire research. That film showed bedroom-type fires carried out as a part of a program to determine the influence of the cyclic characteristics of real fires under limited ventilation on the burning and pyrolysis properties of the room furnishings. A new series of fires was suggested by NASA designed to show the performance of new fire resistant and fire retardant materials by providing comparative fire and smoldering environmental conditions. More recently, the goal for the new series of fires was written in a meeting with NASA personnel and others at Battelle on May 3 and 4, 1972. The goal was as follows: To establish the need for special materials of improved fire safety in domiciliary settings of public concern, and to assess, in a professionally acceptable manner, the potential of materials arising from the new space-age technology for this purpose. It was anticipated that some new materials arising from the space-age technology and not yet available through conventional commercial channels might provide significant improvements in fire safety if the best of the commercially available materials showed important shortcomings in this area. It was the intent of this program to assess the benefits that could accrue from the use of these new materials. Fire safety is a matter requiring the evaluation of a number of factors. For example, fire resistance and fire spread, visibility during the fire, toxicity of evolved gases, and the fire-fighting problem that is created must be evaluated before the relative hazard can be assessed. The plan of the program provided for sampling and instrumentation to evaluate these factors, consistent with the goal of technological utilization that has been specified. Arrangements were made with the Columbus Fire Department to use an existing six-story concrete building', designed and used as a fire training tower, as the site for the experimental fires. The visual evidence provided by TV and photographic coverage of the four experimental room fires showed clearly that the rooms responded very differently to a common ignition condition. In particular: (1) The Typical room, furnished from conventional retail sources, ignited easily and burned rapidly so that after 8 minutes the contents of the room were nearly destroyed. (2) The Improved room, furnished with materials selected as being among the best commercially available, showed substantial improvement over the Typical room in that there was slower fire spread. However, the relatively complete destruction of the room contents that resulted, and the large amounts of smoke, made it clear that substantial further improvements were needed. This fire was stopped after 29 minutes. (3) The Space-age room, furnished completely with new materials that were not yet commercially available, did not ignite under the common ignition condition and soon demonstrated the substantial improvement in fire resistance available for those components close to the ignition source. A second and larger ignition arrangement showed that this room can burn, but the difficulty with which this was brought about confirmed the improved fire resistance available with use of these materials. (4) The Mixed room ensemble, furnished with 'materials identical to the Typical room except for the substitution of the bed from the Space-age room, illustrated the improvement in control of fire spread available by careful placement of fire materials in the important paths of fire development of an otherwise ordinary room. The most significant hazards at early times in each fire were due to the rapid rise in heat flux and the abrupt obscuration of vision by smoke. The most consistent toxicity hazard was due to CO and its importance would depend on the ability of the occupant to survive the initial heat and smoke menace which characterized each fire room. Other gases and vapors were shown to reach hazardous levels in certain fire rooms and, again, their significance to an occupant, would relate to the times in which such hazards occurred, and probably to the synergistic nature of the hazard arising from mixtures of such gases. Fire retardant items in the room are caused to pyrolyze by the heat of burning from other items in the room and so contribute to combustible and toxic vapor accumulations, even though they may not have entered into the burning process. This effect of a mixture of combustible materials to produce burning and pyrolysis not characteristic of any one item individually we have chosen to call the "ensemble effect". Further full-scale fire trials may be expected to show the significant changes that control the burning and pyrolytic processes and in that event a programmed fire chamber should be developed to yield realistic laboratory results.

Hillenbrand, L. J.↗

A 3D POM–MOF composite based on Ni(ΙΙ) ion and 2,2´-bipyridyl-3,3´-dicarboxylic acid: Crystal structure and proton conductivity

We have succeeded in constructing a 3D POM–MOF, (H[Ni(Hbpdc)(H₂O)₂]₂[PW₁₂O₄₀]·8H₂O) n (H₂bpdc=2,2´-bipyridyl-3,3´-dicarboxylic acid), by the controllable self-assembly of H₂bpdc, Keggin-anions and Ni²⁺ ions based on the electrostatic and coordination interactions. Interestingly, Hbpdc⁻ as polydentate organic ligands and Keggin-anion as polydentate inorganic ligands are covalently linked transition-metal nickel at the same time. The title complex represents a new example of introducing the metal N-heterocyclic multi-carboxylic acid frameworks into POMs chemistry. Based on Keggin-anions being immobilized as part of the metal N-heterocyclic multi-carboxylic acid framework, the title complex realizes four approaches in the 1D hydrophilic channel used to engender proton conductivity in MOFs. Its water adsorption isotherm at room temperature and pressure shows that the water content in it was 31 cm³ g⁻¹ at the maximum allowable humidity, corresponding to 3.7 water molecules per unit formula. It exhibits good proton conductivities (10⁻⁴–10⁻³ S cm⁻¹) at 100 °C in the relative humidity range 35–98%. The corresponding activation energy (E{sub a}) of conductivity was estimated to be 1.01 eV. - Graphical abstract: A POM–MOF composite constructed by Keggin-type polyanion, Ni²⁺ and H₂bpdc shows good proton conductivities of 10⁻⁴–10⁻³ S cm⁻¹ at 100 °C under 35–98% RH. - Highlights: • A POM–MOF was constructed by combining metal N-heterocyclic multi-carboxylic acid framework and Keggin anion. • It opens a pathway for design and synthesis of multifunctional hybrid materials based on two building units. • Three types of potential proton-carriers have been assembled in the 1D hydrophilic channels of the POM–MOF. • It achieved such proton conductivities as 10⁻⁴–10⁻³ S cm⁻¹ at 100 °C in the RH range 35–98%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

All-Scale Hierarchically Structured p-Type PbSe Alloys with High Thermoelectric Performance Enabled by Improved Band Degeneracy

We show an example of hierarchically designing electronic bands of PbSe toward excellent thermoelectric performance. We find that alloying 15 mol % PbTe into PbSe causes a negligible change in the light and heavy valence band energy offsets (ΔE V ) of PbSe around room temperature; however, with rising temperature it makes ΔE V decrease at a significantly higher rate than in PbSe. In other words, the temperature-induced valence band convergence of PbSe is accelerated by alloying with PbTe. On this basis, applying 3 mol % Cd substitution on the Pb sites of PbSe 0.85 Te 0.15 decreases ΔE V and enhances the Seebeck coefficient at all temperatures. Here, excess Cd precipitates out as CdSe 1-y Te y , whose valence band aligns with that of the p-type Na-doped PbSe 0.85 Te 0.15 matrix. This enables facile charge transport across the matrix/precipitate interfaces and retains the high carrier mobilities. Meanwhile, compared to PbSe the lattice thermal conductivity of PbSe 0.85 Te 0.15 is significantly decreased to its amorphous limit of 0.5 W m -1 K -1 . Consequently, a highest peak ZT of 1.7 at 900 K and a record high average ZT of ~1 (400-900 K) for a PbSe-based system are achieved in the composition Pb 0.95 Na 0.02 Cd 0.03 Se 0.85 Te 0.15 , which are ~70% and ~50% higher than those of Pb 0.98 Na 0.02 Se control sample, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Initial Assessment of Ruthenium Removal Systems for Tritium Pretreatment Off-Gas

The processing of used nuclear fuel releases volatile and semivolatile radionuclides into the off-gas streams associated with the various processing steps. Ongoing efforts to develop methods to control the release of gaseous radionuclides to the environment have identified ruthenium (specifically 106 Ru) as one of the semivolatile nuclides requiring a high degree of abatement. The tritium pretreatment process will release a fraction of the ruthenium as volatile ruthenium tetroxide (RuO 4 ). Scoping tests were conducted to characterize the adsorption/deposition of RuO 4 from dry gas streams by two different substrates: steel wool and silica gel. A simple test system was assembled to produce RuO 4 through oxidation of powdered ruthenium metal, followed by a temperature-controlled sorption column. Tests were conducted with no sorbent present in the column to obtain baseline data on the evolution of RuO 4 and deposition of ruthenium on the internal surfaces of the column. Silica gel and steel wool were tested as adsorbent media. Gaseous effluent from the column was scrubbed with caustic solution to remove any remaining ruthenium. Ultraviolet/visible spectroscopy (UV/Vis) and inductively coupled plasma–mass spectroscopy analyses were used to measure the amount of ruthenium in the scrub solutions. The UV/Vis analysis proved to be problematic because of precipitation of ruthenates, ruthenium oxides, and hydrated ruthenium oxides that occurred over time. An effective stabilization agent that does not adversely affect the desired spectra needs to be identified if this method is to be used in the future. There were indications that oxidation of powdered ruthenium metal did not generate a stream with steady concentration of RuO 4 , so improved techniques are needed for follow-on experiments designed to infer deposition rate. Both steel wool and silica gel are able to decrease the effluent Ru concentration by a factor of 10–100 during the 5-hour tests conducted. These tests were conducted using a dilute RuO 4 -bearing dry gas stream and the short test duration did not result in sorbent saturation or in an estimation of Ru breakthrough time. RuO 4 desorbs from silica gel at room temperature. As interactions between RuO 4 and silica gel are not irreversible, it cannot function as a disposal media without pretreatment to reduce RuO 4 to a less mobile species. Silica gel may be useful as a RuO 4 sorbent or delay media in some applications. Based on visual observations, steel wool was an effective deposition substrate with no evidence of RuO 4 release. The deposition form should be identified and methods to assay the ruthenium content need to be developed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Towards functional assembly of 3D and 2D nanomaterials

Functional assemblies of materials can be realized by tuning the work function and band gap of nanomaterials by rational material selection and design. Here we demonstrate the structural assembly of 2D and 3D nanomaterials and show that layering a 2D material monolayer on a 3D metal oxide leads to substantial alteration of both the surface potential and optical properties of the 3D material. A 40 nm thick film of polycrystalline NiO was produced by room temperature rf-sputtering, resulting in a 3D nanoparticle assembly. Chemical vapor deposition (CVD) grown 10-30 μm WS2 flakes (2D material) were placed on the NiO surface using a PDMS stamp transfer technique. The 2D/3D WS2/NiO assembly was characterized using confocal micro Raman spectroscopy to evaluate the vibrational properties and using Kelvin probe force microscopy (KPFM) to evaluate the surface potential. Raman maps of the 2D/3D assembly show spatial non-uniformity of the A1g mode (~418 cm-1) and the disorder-enhanced longitudinal acoustic mode, 2LA(M) (~350 cm-1), suggesting that the WS2 exists in a strained condition on when transferred onto 3D polycrystalline NiO. KPFM measurements show that single layer WS2 on SiO2 has a surface potential 75 mV lower than that of SiO2, whereas the surface potential of WS2 on NiO is 15 mV higher than NiO, indicating that WS2 could act as electron donor or acceptor depending on the 3D material it is interfaced with. Thus 2D and 3D materials can be organized into functional assemblies with electron flow controlled by the WS2 either as the electron donor or acceptor.

Jacobs, Christopher B.↗

Ultra-High Vacuum Outgassing Characterization of Thermally Processed Low-Carbon Steel for Advanced Particle Accelerator and Gravitational Wave Detector Applications

This dissertation investigated AISI 1020 low-carbon steel as an alternative vacuum chamber material to conventional stainless steel for ultra-high vacuum (UHV) and extreme-high vacuum (XHV) applications. After a 400 °C/48 h bake, AISI 1020 tube chambers achieved a hydrogen outgassing rate of 2.4 × 10¿¹6 Torr·L·s¿¹·cm¿², approximately 2,300 times lower than the prebaked 316L stainless-steel comparator, among the lowest hydrogen outgassing rates ever reported for an uncoated metallic vacuum chamber. Bare and magnetite-coated AISI 1020 chambers were then compared using throughput and rate-of-rise methods. The magnetite coating yielded 5× lower water outgassing at room temperature, but this advantage disappeared after 80 °C baking. After full thermal conditioning (400 °C/48 h prebake followed by 150 °C/96 h and 200 °C/110 h), bare steel achieved 25× lower hydrogen outgassing than the magnetite-coated chamber (9.6 × 10¿¹6 Torr·L·s¿¹·cm¿²) and >99% H2 purity with carbon species below RGA detection. Monte Carlo molecular flow simulations of a CEBAF photogun beamline (96 scenarios) showed that replacing 304L stainless steel with AISI 1020 reduces equilibrium H2 pressure by a factor of 833; a single 304L electrode contributes 98.8% of the gas load despite occupying only 9.1% of the internal surface area. A 500-m Einstein Telescope beampipe screening showed that corrugated bellows contribute 18% of the gas load from only 0.7% of the surface area. A five-model adsorption isotherm framework applied to 22 pumpdown datasets (164 fits with AR(1)-GLS correction) established that the experimental protocol, not the material, controls isotherm identifiability: Dubinin–Radushkevich wins isothermal pipe pumpdowns; Langmuir wins thermally dominated chamber bakes. Cross-dataset joint fitting of the AISI 1020 pipe pumpdowns yielded an H2 diffusion activation energy Ed = 7.24 ± 1.28 kcal·mol¿¹, consistent with trap dominated diffusion in commercial low-carbon steels. Two companion innovations were developed: a Variable Conductance Device (VCD, patent pending IDF-00723) for XHV outgassing measurement, and VacuumDesignerPro (VDP), a MATLAB-based design tool validated against LIGO benchmarks.

Al-Allaq, Aiman H [Old Dominion University]↗

MgO Nanostructures on Cu(111): Understanding Size- and Morphology-Dependent CO 2 Binding and Hydrogenation

To design and optimize cost-effective technologies for the capture, utilization, and storage of carbon dioxide (CO 2 ), we need a fundamental knowledge and control of chemical interactions associated with the capture and conversion of the molecule into high-value chemicals, minerals, and all kinds of materials. Bulk magnesium oxide (MgO) is frequently used for the trapping and storage of CO 2 by generation of magnesium carbonates. In this study, the growth and reactivity of MgO nanostructures on a Cu 2 O/Cu(111) substrate were investigated using scanning tunneling microscopy (STM) and synchrotron-based ambient-pressure X-ray photoelectron spectroscopy (AP-XPS). For extremely small concentrations of Mg (~ 0.01 monolayer (ML)), a well-ordered film of copper oxide with small clusters (0.2-0.5 nm in width, 0.4-0.6 Å in height) of embedded MgO was seen. At a coverage of 0.1 ML, MgO nanoparticles with a width of 0.4 to 1 nm and a height of ~ 1.5 Å were randomly distributed on the copper oxide. Further, random distribution was also observed when the MgO coverage was raised to 0.25 ML, with the width of the MgO particles increasing to 2-2.5 nm and the height reaching 2 Å. These oxide nanostructures displayed a high reactivity towards CO 2 and H 2 that is not seen for bulk MgO. Dissociation of H 2 was observed at room temperature with reaction of the H adatoms with CuO x and C-containing groups. On the small MgO nanostructures (< 1 nm in width), instead of plain carbonate formation, there was dissociation of CO 2 into CO and C species, opening reaction channels for the conversion of this harmful molecule into oxygenates and light alkanes.

03 NATURAL GAS↗

Unraveling Anion-Specific Inhibition and Structural Modulation of Gibbsite Crystallization: Implications for Aluminum Mobility in Natural and Engineered Systems

Gibbsite (α-Al(OH) 3 , sometimes designated as γ-Al(OH) 3 ) plays a crucial role in the chemistry of aluminum in the environment and industry, yet its crystallization behavior under multianionic conditions is not well understood. Here, in this study, we investigate how six common anions─fluoride (F – ), chloride (Cl – ), bromide (Br – ), nitrate (NO 3 – ), sulfate (SO 4 2– ), and phosphate (PO 4 3– )─influence the mineralization, structure, and morphology of gibbsite at room temperature. The results show that PO 4 3– , SO 4 2– , and F – strongly inhibit gibbsite formation, stabilizing amorphous or alternative crystalline phases such as nordstrandite and cryolite. On the contrary, Cl – , Br – , and NO 3 – allow partial to complete crystallization of gibbsite without significant morphological changes. Solid-state 27 Al magic angle spinning nuclear magnetic resonance provides crucial insight into aluminum coordination environments in both crystalline and amorphous phases, distinguishing between octahedral, pentahedral, and tetrahedral Al species. The density functional theory calculations reveal a direct correlation between the Al–X bond strength and the inhibition of crystallization, following the order: PO 4 3– > SO 4 2– > F – > NO 3 – > Cl – > Br – . These findings offer molecular-scale insights into anion-specific effects on aluminum hydroxide nucleation and transformation, improving the understanding of gibbsite formation and aluminum cycling in soils, phosphate retention, contaminant immobilization, and waste treatment strategies in nuclear and industrial settings. These insights can also guide the controlled synthesis of aluminum hydroxide materials with tailored crystallinity and morphology via liquid-assisted methods.

Anions effect↗

Fabrication of MEMS-Based Microshutter Arrays for Optical Transmission Selection

A MEMS-based programmable aperture mask is under development at the NASA Goddard Space Flight Center. Termed the Microshutter (u-shutter) Array, the device will be used to control the transmission of light, with both high efficiency and contrast, to a multi-object spectrometer on the James Webb Space Telescope. Fabrication of the p-shutter array employs several novel designs and processing techniques. The current generation of micro-shutters consists of 128x64 pixel arrays with unit cell dimensions of 100x200 microns. Shutters are patterned in silicon nitride and sit on a 100 micron silicon frame that is DRIE etched below each shutter. The front and back sides of the device are shown. A magnetic cobalt-iron alloy patterned on top of the shutter allows it to be actuated 90 degrees out-of-plane, into the frame, by an external magnetic field. An electrode on the shutter and a vertical electrode on the sidewall of the frame, approximately 90pm deep, allow them to be electrostatically latched in their rotated position. The vertical electrode is deposited and patterned on the backside of the frame in a single step using a directionally controlled evaporation. Individual addressing of shutters for electrostatic latching is accomplished via a crosspoint addressing scheme, with no on-chip active components. A portion of an array with shutters in the open, latched, and closed positions is shown. Light loss at shutter edges is minimized by an overhanging aluminum light-shield that is anchored to the frame. A photoresist sacrificial layer is used to raise the light-shield up and over the 2 micron gap that surrounds each pixel. After completion, arrays are subjected to life cycle, environmental and optical testing. Fabricated devices have survived 10(exp 6) actuation cycles at both room and cryogenic temperatures and a 14g rms launch-simulation test. Optical testing has shown contrast measurements between open and closed shutters up to 10000:1.

Lynch, Bernard A.↗

Modification of the Decontamination Facility at the Kruemmel NPP - 13451

In February 2009, Siempelkamp Nukleartechnik GmbH was awarded the contract for the design, manufacture, delivery and construction of a new Decontamination Facility in the controlled area for Kruemmel NPP. The new decontamination equipment has been installed according to the state of art of Kruemmel NPP. The existing space required the following modification, retrofitting and reconstruction works: - Demounting of the existing installation: to create space for the new facility it was necessary to dismantle the old facility. The concrete walls and ceilings were cut into sizes of no more than 400 kg for ease of handling. This enabled decontamination so largest possible amount could be released for recycling. All steel parts were cut into sizes fitting for iron-barred boxes, respecting the requirement to render the parts decontaminable and releasable. - Reconstructing a decontamination facility: Reconstruction of a decontamination box with separate air lock as access area for the decontamination of components and assemblies was conducted using pressurized air with abrasives (glass beads or steel shots). The walls were equipped with sound protection, the inner walls were welded gap-free to prevent the emergence of interstices and were equipped with changeable wear and tear curtains. Abrasive processing unit positioned underneath the dry blasting box adjacent to the two discharge hoppers. A switch has been installed for the separation of the glass beads and the steel shot. The glass beads are directed into a 200 l drum for the disposal. The steel shot was cleaned using a separator. The cleaned steel shot was routed via transportation devices to the storage container, making it available for further blasting operations. A decontamination box with separate air lock as access area for the decontamination of components and assemblies using high pressure water technology was provided by new construction. Water pressures between 160 bar and 800 bar can be selected. The inner walls are welded gap-free and all rough edges are rounded off. All wetted parts are steel grade 1.4301 or higher. In an extension to the high pressure water decontamination box, 2 ultrasonic ponds and one washing station for small components as provide by new construction. A long pond with 3.25 m length for the decontamination of large components (e.g. turbine blades, pump rotors, driving rods) was installed. For the handling heavy components, a 2 t crane was installed. New construction of a mechanical effluent treatment facility including oil separator was connected to the existing effluent storage tank provided by the customer. One exhaust air filtration system is provided for each decontamination box, with the following requirements. The exhaust air is sent back to the room (recirculated air system). Dry blasting box including raw separator with dust collection in 200 l drum, filter for suspended particles; High pressure water decontamination box and wet area with water separator, pre-separator, filter for suspended particles. Installation of a steel platform at building height +12.85 above the decontamination boxes + 8.50 m for the erection of the high pressure water facilities, the recirculating air filter system, the air compressor and the respiratory air supply unit. The aforementioned components are placed on the steel platform and have been encased in a sound-lowering and accessible manner. New construction of the entire E and C technology for the TU system including modification of the supply lines from the switch gear. All devices are to be operated automatically. Dry blasting box, high pressure water decontamination box and wet area are designed to guarantee a unitary 'exterior view' of the decontamination facility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Tracer gas test in Net-Zero Energy Residential Test Facility

The Net-Zero Energy Residential Test Facility (NZERTF) at NIST was built in 2012 to support the development and adoption of cost-effective net-zero energy designs, technologies, and construction methods. It is two-story, and has four bedrooms, three bathrooms, and an open living room, dining room, and kitchen space. The NZERTF also has a basement and attic, both located within the conditioned space because the thermal and air-moisture barriers encompass the basement walls and attic roof. Transfer grilles link the living spaces to these two zones. The central heating and cooling system includes an air-toair heat pump, which delivers air to the basement, first and second floors. The heat pump has a cooling capacity of 7.6 kW and a heating capacity of 7.8 kW. The indoor unit is in the basement and ductwork runs along the basement ceiling. A balanced heat recovery ventilator (HRV) is installed in the basement and has its own dedicated ductwork. The HRV supplies 47 L/s of outdoor air to the house, with supplies on the first floor (in the kitchen/dining area) and in each of the three second-floor bedrooms. Air from the first-floor bathroom and both second-floor bathrooms is returned to the HRV before being exhausted, though the HRV was turned off during the tests. The house also has a range hood exhaust and a clothes dryer exhaust, both of which were turned off for the tests. The temperature of the house was measured and the operation of the space conditioning system, including its recirculating air distribution fan, were controlled by a commercially available thermostat.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Jet Noise Reduction

The Acoustics Branch is responsible for reducing noise levels for jet and fan components on aircraft engines. To do this, data must be measured and calibrated accurately to ensure validity of test results. This noise reduction is accomplished by modifications to hardware such as jet nozzles, and by the use of other experimental hardware such as fluidic chevrons, elliptic cores, and fluidic shields. To insure validity of data calibration, a variety of software is used. This software adjusts the sound amplitude and frequency to be consistent with data taken on another day. Both the software and the hardware help make noise reduction possible. work properly. These software programs were designed to make corrections for atmosphere, shear, attenuation, electronic, and background noise. All data can be converted to a one-foot lossless condition, using the proper software corrections, making a reading independent of weather and distance. Also, data can be transformed from model scale to full scale for noise predictions of a real flight. Other programs included calculations of Over All Sound Pressure Level (OASPL), Effective Perceived Noise Level (EPNL). OASPL is the integration of sound with respect to frequency, and EPNL is weighted for a human s response to different sound frequencies and integrated with respect to time. With the proper software correction, data taken in the NATR are useful in determining ways to reduce noise. display any difference between two or more data files. Using this program and graphs of the data, the actual and predicted data can be compared. This software was tested on data collected at the Aero Acoustic Propulsion Laboratory (AAPL) using a variety of window types and overlaps. Similarly, short scripts were written to test each individual program in the software suite for verification. Each graph displays both the original points and the adjusted points connected with lines. During this summer, data points were taken during a live experiment at the AAPL to measure Nozzle Acoustic Test Rig (NATR) background noise levels. Six condenser microphones were placed in strategic locations around the dome and the inlet tunnel to measure different noise sources. From the control room the jet was monitored with the help of video cameras and other sensors. The data points were recorded, reduced, and plotted, and will be used to plan future modifications to the NATR. The primary goal to create data reduction test programs and provide verification was completed. As a result of the internship, I learned C/C++, UNIX/LINUX, Excel, and acoustic data processing methods. I also recorded data at the AAPL, then processed and plotted it. These data would be useful to compare against existing data. In addition, I adjusted software to work on the Mac OSX platform. And I used the available training resources.

Kenny, Patrick↗

Small rocket research and technology

Small chemical rockets are used on nearly all space missions. The small rocket program provides propulsion technology for civil and government space systems. Small rocket concepts are developed for systems which encompass reaction control for launch and orbit transfer systems, as well as on-board propulsion for large space systems and earth orbit and planetary spacecraft. Major roles for on-board propulsion include apogee kick, delta-V, de-orbit, drag makeup, final insertions, north-south stationkeeping, orbit change/trim, perigee kick, and reboost. The program encompasses efforts on earth-storable, space storable, and cryogenic propellants. The earth-storable propellants include nitrogen tetroxide (NTO) as an oxidizer with monomethylhydrazine (MMH) or anhydrous hydrazine (AH) as fuels. The space storable propellants include liquid oxygen (LOX) as an oxidizer with hydrazine or hydrocarbons such as liquid methane, ethane, and ethanol as fuels. Cryogenic propellants are LOX or gaseous oxygen (GOX) as oxidizers and liquid or gaseous hydrogen as fuels. Improved performance and lifetime for small chemical rockets are sought through the development of new predictive tools to understand the combustion and flow physics, the introduction of high temperature materials to eliminate fuel film cooling and its associated combustion inefficiency, and improved component designs to optimize performance. Improved predictive technology is sought through the comparison of both local and global predictions with experimental data. Results indicate that modeling of the injector and combustion process in small rockets needs improvement. High temperature materials require the development of fabrication processes, a durability data base in both laboratory and rocket environments, and basic engineering property data such as strength, creep, fatigue, and work hardening properties at both room and elevated temperature. Promising materials under development include iridium-coated rhenium and a ceramic composite of mixed hafnium carbide and tantalum carbide reinforced with graphite fibers.

Schneider, Steven↗

Automated vehicle microscopic energy consumption study (AV-Micro): Data collection and model development

While the Adaptive Cruise Control (ACC) system in automated vehicles (AVs) is expected to impact transportation energy significantly, existing AV energy consumption models only directly adopt those developed with Human-driven Vehicle (HV) data without even slight adaptation or calibration to accommodate unique AV energy consumption features. This study will investigate how accurately HV data-based models can predict the energy consumption of AVs. Empirical trajectory data and corresponding instantaneous energy consumption rates from both AVs and HVs were collected. We adopted two classical HV data-based models to fit these data. The calibration results indicated that these models yield around 20 30% prediction errors for AVs. To further improve the prediction accuracy, this study designed an AV-Micro model by incorporating components of multiple classic energy consumption models that better capture ACC energy consumption features, including piecewise driving behavior. With this, the AV-Micro model achieves lower than 10% prediction errors. The AV-Micro model’s high consistency across different test runs was verified with statistical significance tests, demonstrating its adaptability in different driving profiles. To confirm the discrepancies between the energy consumption features of AVs and HVs, more statistical significance tests were conducted to show that the AV-Micro model cannot be directly applied to HV data. The findings by calibrated AV-Micro models revealed that AVs consume approximately 80.5–146.4 J more energy than HVs for each meter traveled. Furthermore, the frequency analysis of energy consumption indicates that there is still some room for AVs to improve energy efficiency, particularly given their larger amplitude high-frequency fluctuations.

33 ADVANCED PROPULSION SYSTEMS↗

An Advanced Loop Heat Pipe for Cryogenic Applications

A loop heat pipe (LHP) is a very versatile heat transfer device which can transport a large heat load over a long distance with a small temperature difference. All LHPs currently servicing orbiting spacecraft are designed to operate in the room temperature range. Future space telescopes and space-based Earth resource imaging satellites require passive cryogenic heat transport devices that can thermally couple remote cryocoolers to sensor or instrument of interest while providing the capability of payload vibration/jitter isolation, implementation of redundant coolers, and coupling of multiple sensors to a common heat sink. All of these requirements can be satisfied by using a cryogenic LHP (CLHP). Although the development of CLHPs faces several technical challenges, NASA Goddard Space Flight Center has devoted extensive efforts in developing CLHP technology over the past decade and has made significant progress. In particular, the combination of the innovative ideas of using a secondary capillary pump to manage the parasitic heat gain and using a hot reservoir to reduce the system pressure under the ambient condition has led to the successful development of the CLHP. Several CLHPs charged with nitrogen and hydrogen were built and tested in thermal vacuum chambers. These CLHPs demonstrated reliable start-up and robust operation during power cycle and sink temperature cycle tests.

Loop Heat Pipes↗

An Advanced Loop Heat Pipe for Cryogenic Applications

A loop heat pipe (LHP) is a very versatile heat transfer device that can transport a large heat load over a long distance with a small temperature difference. All LHPs currently servicing orbiting spacecraft are designed to operate in the room temperature range. Future space telescopes and space-based Earth resource imaging satellites require passive cryogenic heat transport devices that can thermally couple remote cryocoolers to sensor or instrument of interest while providing the capability of payload vibration jitter isolation, implementation of redundant coolers, and coupling of multiple sensors to a common heat sink. All of these requirements can be satisfied by using a cryogenic LHP (CLHP). Although the development of CLHPs faces several technical challenges, NASA Goddard Space Flight Center has devoted extensive efforts in developing CLHP technology over the past decade and has made significant progress. In particular, the combination of the innovative ideas of using a secondary capillary pump to manage the parasitic heat gain and using a hot reservoir to reduce the system pressure under the ambient condition has led to the successful development of the CLHP. Several CLHPs charged with nitrogen and hydrogen were built and tested in thermal vacuum chambers. These CLHPs demonstrated reliable start-up and robust operation during power cycle and sink temperature cycle tests.

Loop Heat Pipes↗