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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33

All sources NASA NTRS DOE OSTI

DOE OSTI2015

Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172

Recent advances in direct-acting antivirals against Hepatitis C Virus (HCV) have led to the development of potent inhibitors, including MK-5172, that target the viral NS3/4A protease with relatively low susceptibility to resistance. MK-5172 has a P2–P4 macrocycle and a unique binding mode among current protease inhibitors where the P2 quinoxaline packs against the catalytic residues H57 and D81. Furthermore, the effect of macrocyclization on this binding mode is not clear, as is the relation between macrocyclization, thermodynamic stabilization, and susceptibility to the resistance mutation A156T. We have determined high-resolution crystal structures of linear and P1–P3 macrocyclic analogs of MK-5172 bound to WT and A156T protease and compared these structures, their molecular dynamics, and experimental binding thermodynamics to the parent compound. We find that the “unique” binding mode of MK-5172 is conserved even when the P2–P4 macrocycle is removed or replaced with a P1–P3 macrocycle. While beneficial to decreasing the entropic penalty associated with binding, the constraint exerted by the P2–P4 macrocycle prevents efficient rearrangement to accommodate the A156T mutation, a deficit alleviated in the linear and P1–P3 analogs. Design of macrocyclic inhibitors against NS3/4A needs to achieve the best balance between exerting optimal conformational constraint for enhancing potency, fitting within the substrate envelope and allowing adaptability to be robust against resistance mutations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Clean Energy Employment Impacts and Occupational Analyses: Building Envelope & Electrification Upgrades

Under the Communities LEAP (Local Energy Action Program) Pilot, the U.S. Department of Energy (DOE) is working with a group of LEAP communities to bolster workforce development initiatives and support the growth of local employment in the clean energy economy. Through this resource, DOE seeks to provide participating communities with an overview of the types of occupations that could be affected by investments in building envelope and building electrification upgrades in existing building stock - differentiating between the residential and commercial sectors. This occupational analysis is intended to be used by communities to inform workforce initiatives (e.g., local training and education programs) as they implement building energy efficiency and electrification projects at scale.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Planetesimal Formation by the Streaming Instability in a Photoevaporating Disk

Recent years have seen growing interest in the streaming instability as a candidate mechanism to produce planetesimals. However, these investigations have been limited to small-scale simulations. We now present the results of a global protoplanetary disk evolution model that incorporates planetesimal formation by the streaming instability, along with viscous accretion, photoevaporation by EUV, FUV, and X-ray photons, dust evolution, the water ice line, and stratified turbulence. Our simulations produce massive (60–130 M {sub ⊕}) planetesimal belts beyond 100 au and up to ∼20 M {sub ⊕} of planetesimals in the middle regions (3–100 au). Our most comprehensive model forms 8 M {sub ⊕} of planetesimals inside 3 au, where they can give rise to terrestrial planets. The planetesimal mass formed in the inner disk depends critically on the timing of the formation of an inner cavity in the disk by high-energy photons. Our results show that the combination of photoevaporation and the streaming instability are efficient at converting the solid component of protoplanetary disks into planetesimals. Our model, however, does not form enough early planetesimals in the inner and middle regions of the disk to give rise to giant planets and super-Earths with gaseous envelopes. Additional processes such as particle pileups and mass loss driven by MHD winds may be needed to drive the formation of early planetesimal generations in the planet-forming regions of protoplanetary disks.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1976

Integrated structure vacuum tube

High efficiency, multi-dimensional thin film vacuum tubes suitable for use in high temperature, high radiation environments are described. The tubes are fabricated by placing thin film electrode members in selected arrays on facing interior wall surfaces of an alumina substrate envelope. Cathode members are formed using thin films of triple carbonate. The photoresist used in photolithography aids in activation of the cathodes by carbonizing and reacting with the reduced carbonates when heated in vacuum during forming. The finely powdered triple carbonate is mixed with the photoresist used to delineate the cathode locations in the conventional solid state photolithographic manner. Anode and grid members are formed using thin films of refractory metal. Electron flow in the tubes is between grid elements from cathode to anode as in a conventional three-dimensional tube.

Dimeff, J.↗

DOE OSTI2021

Transfer-Learnt Energy Models for Predicting Electricity Consumption in Buildings with Limited and Sparse Field Data

Modeling energy consumption is critical for energy-efficient utilization of the electric appliances in a building, smart grid programs (like demand-response), and many other smart home applications. State-of-the-art energy modeling techniques either rely on theoretical models, or extensive instrumentation of the building envelope to gather ``big" data to train a deep neural network. While theoretical models are often limited by their estimation accuracy, it is not always feasible to gather a significant amount of field data. In this paper, we explore transfer learning-based strategies to train much more accurate model for energy estimation when using a sparse field data. We transferred knowledge, in the form of data and parameters, from the simulation framework to the field data. We evaluated the efficacy of our approach on field data collected from six commercial buildings and our results indicate that transfer learning-based models trained over one month data can perform comparative (and in some cases better) than the state-of-the-art machine learning and deep learning solutions.

Jain, Milan↗

NASA NTRS1998

Euler Technology Assessment for Preliminary Aircraft Design-Unstructured/Structured Grid NASTD Application for Aerodynamic Analysis of an Advanced Fighter/Tailless Configuration

This study supports the NASA Langley sponsored project aimed at determining the viability of using Euler technology for preliminary design use. The primary objective of this study was to assess the accuracy and efficiency of the Boeing, St. Louis unstructured grid flow field analysis system, consisting of the MACGS grid generation and NASTD flow solver codes. Euler solutions about the Aero Configuration/Weapons Fighter Technology (ACWFT) 1204 aircraft configuration were generated. Several variations of the geometry were investigated including a standard wing, cambered wing, deflected elevon, and deflected body flap. A wide range of flow conditions, most of which were in the non-linear regimes of the flight envelope, including variations in speed (subsonic, transonic, supersonic), angles of attack, and sideslip were investigated. Several flowfield non-linearities were present in these solutions including shock waves, vortical flows and the resulting interactions. The accuracy of this method was evaluated by comparing solutions with test data and Navier-Stokes solutions. The ability to accurately predict lateral-directional characteristics and control effectiveness was investigated by computing solutions with sideslip, and with deflected control surfaces. Problem set up times and computational resource requirements were documented and used to evaluate the efficiency of this approach for use in the fast paced preliminary design environment.

Michal, Todd R.↗

DOE OSTI2014

Measure Guideline: Selecting Ventilation Systems for Existing Homes

This document addresses adding -or improving - mechanical ventilation systems to existing homes. The purpose of ventilation is to remove contaminants from homes, and this report discusses where, when, and how much ventilation is appropriate in a home, including some discussion of relevant codes and standards. Advantages, disadvantages, and approximate costs of various system types are presented along with general guidelines for implementing the systems in homes. CARB intends for this document to be useful to decision makers and contractors implementing ventilation systems in homes. Choosing the "best" system is not always straightforward; selecting a system involves balancing performance, efficiency, cost, required maintenance, and several other factors. It is the intent of this document to assist contractors in making more informed decisions when selecting systems. Ventilation is an integral part of a high-performance home. With more air-sealed envelopes, a mechanical means of removing contaminants is critical for indoor environmental quality and building durability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

US-China Clean Energy Research Center on Building Energy Efficiency: Materials that Improve the Cost-Effectiveness of Air Barrier Systems

The US–China Clean Energy Research Center (CERC) was launched in 2009 by US Energy Secretary Steven Chu, Chinese Minister of Science and Technology Wan Gang, and Chinese National Energy Agency Administrator Zhang Guobao. This 5-year collaboration emerged from the fact that the United States and China are the world’s largest energy producers, energy consumers, and greenhouse gas emitters, and that their joint effort could have significant positive repercussions worldwide. CERC’s main goal is to develop and deploy clean energy technologies that will help both countries meet energy and climate challenges. Three consortia were established to address the most pressing energy-related research areas: Advanced Coal Technology, Clean Vehicles, and Building Energy Efficiency (BEE). The project discussed in this report was part of the CERC-BEE consortia; its objective was to lower energy use in buildings by developing and evaluating technologies that improve the cost-effectiveness of air barrier systems for building envelopes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Influence of Microbial Membranes on Biofilm Formation, Scaling Reactions, and Production Chemistry in Engineered Energy Systems (Final Report)

Humans are engineering the deep subsurface for the purposes of energy-capture, energy-storage, and environmental mitigation. Despite the potential for microbial communities to significantly alter the effectiveness of these technologies, we have historically lacked a clear understanding of how microbial cells interact in a fractured shale system. Existing knowledge has been heavily based on genomic information, lacking studies on in situ physiologies, kinetic rates, and attachment mechanisms governing biogeochemical reactions in the system. The overarching goal of this research was to advance understanding of engineered hydrocarbon extraction systems as they evolve from newly developed environments to mature use. Plasma membranes protect microbial cells, mediate many critical functions, and respond to intracellular cues and ecological perturbations through physicochemical modifications. The project objectives were to 1) characterize variables influencing growth and membrane features of shale taxa, 2) characterize the interactions between shale matrices and microorganisms and 3) elucidate engineered and environmental processes driving biogeochemical signatures at the field scale. Objectives were realized through laboratory experiments involving growth of pure cultures and enrichments in continuous culture and biofilms; access to samples from two DOE-NETL funded energy-capture sites: Marcellus Shale Energy and Environmental Laboratory (MSEEL and MSEEL II); and through collaborations with scientists and engineers at the Environmental Molecular Science Laboratory (EMSL) and National Energy Technology Laboratory (NETL). Key findings showed (a) Halanaerobium congolense WG10 makes its membrane more fluid and thicker through increasing its polyunsaturated fatty acid (PUFA) composition under non-optimal salinities (7% and 20%) compared to the optimum (13% NaCl); (b) anionic phospholipids within the plasma membrane are important for high salinity tolerance in H. congolense WG10 while zwitterionic species modulate biofilm physiologies in both isolate and mixed cultures, and (c) tyrosine accumulation with overexpression of Na+/H+ antiporters are essential for osmoprotection in H. congolense WG10 under high salinity while upregulation of aromatic amino acid synthesis and cell envelope maintenance underpin biofilm formation. It is clear from these results that microbial persistence in fractured shale reservoirs under environmental and engineered perturbations requires strategic plasma membrane lipid chemistry adjustments and metabolic restructuring, with implications for improved shale microbiology management and more efficient hydrocarbon extraction approaches targeting microorganisms.

03 NATURAL GAS↗

NASA NTRS2001

Large-Scale Mini-Magnetosphere Plasma Propulsion (M2P2) Experiments

Mini-Magnetosphere Plasma Propulsion (M2P2) is an innovative plasma propulsion system that has the potential to propel spacecraft at unprecedented speeds of 50 to 80 km/s, with a low power requirement of approx. 1 kW per 100 kg of payload and -1 kg of neutral gas [fuel] consumption per day of acceleration. Acceleration periods from several days to a few months are envisioned. High specific impulse and efficiency are achieved through coupling of the spacecraft to the 400 km/s. solar wind through an artificial magnetosphere. The mini-magnetosphere or inflated magnetic bubble is produced by the injection of cold dense plasma into a spacecraft-generated magnetic field envelope. Magnetic bubble inflation is driven by electromagnetic processes thereby avoiding the material and deployment problems faced by mechanical solar sail designs. Here, we present the theoretical design of M2P2 as well as initial results from experimental testing of an M2P2 prototype demonstrating: 1) inflation of the dipole magnetic field geometry through the internal injection of cold plasma; and 2) deflection of and artificial solar wind by the prototype M2P2 system. In addition, we present plans for direct laboratory measurement of thrust imparted to a prototype M2P2 by an artificial solar wind during the summer of 2001.

Winglee, R. M.↗

DOE OSTI2014

Building America Case Study: Selecting Ventilation Systems for Existing Homes (Fact Sheet)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Building Energy Asset Score for Real Estate Managers

The Building Energy Asset Score is a national standardized tool for evaluating the physical and structural energy efficiency of commercial and multifamily residential buildings. The Asset Score generates a simple energy efficiency rating that enables comparison among buildings, and identifies opportunities for users to invest in energy efficiency upgrades. It is web-based and free to use. This fact sheet discusses the value of the score for real estate managers.

Building energy simulation, building envelope, hot↗

DOE OSTI2016

Advancing Replicable Solutions for High-Performance Homes in the Southeast

Southface Energy Institute (Southface) partnered with owners and/or builders with various market constraints and ultimate goals for three projects in different climate zones: Savannah, GA (CZ 2), Clemson, SC (CZ 3), and LaFayette, GA (CZ 4). This report documents the design process, computational energy modeling, construction, envelope performance metrics, long-term monitoring results, and successes and failures of the design and execution of these high performance homes. The three bedroom/two bathroom test home in Savannah Gardens on an elevated slab foundation has a semi-conditioned, encapsulated attic. A neighboring home built to EarthCraft specifications was also monitored as a control for exterior foam insulation and a heat pump water heater (HPWH). For the JMC Patrick Square, a single-story project in Clemson, the small-scale production builder wanted to increase their level of energy efficiency beyond their current green building practices, including bringing ducts into conditioned space. Through a combination of upgrade measures the team met this goal and achieved many Zero Energy Ready Home requirements. LaFayette Housing Authority undertook a development of 30 affordable rental housing units in 15 duplexes in LaFayette, GA. Because they would be long-term owners, their priorities were low utility bills for the residents and durable, maintainable buildings. The team employed BEopt to optimize buildling envelope and systems choices, including 2x6 advanced framed walls, insulated slab, and heat pump water heater in a utility closet which was ducted to/from an encapsulated attic.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Building America Case Study: Savannah Gardens, Savannah, Georgia

Southface Energy Institute (Southface) partnered with owners and/or builders with various market constraints and ultimate goals for three projects in different climate zones: Savannah, GA (CZ 2), Clemson, SC (CZ 3), and LaFayette, GA (CZ 4). This report documents the design process, computational energy modeling, construction, envelope performance metrics, long-term monitoring results, and successes and failures of the design and execution of these high performance homes. The three bedroom/two bathroom test home in Savannah Gardens on an elevated slab foundation has a semi-conditioned, encapsulated attic. A neighboring home built to EarthCraft specifications was also monitored as a control for exterior foam insulation and a heat pump water heater (HPWH). For the JMC Patrick Square, a single-story project in Clemson, the small-scale production builder wanted to increase their level of energy efficiency beyond their current green building practices, including bringing ducts into conditioned space. Through a combination of upgrade measures the team met this goal and achieved many Zero Energy Ready Home requirements. LaFayette Housing Authority undertook a development of 30 affordable rental housing units in 15 duplexes in LaFayette, GA. Because they would be long-term owners, their priorities were low utility bills for the residents and durable, maintainable buildings. The team employed BEopt to optimize building envelope and systems choices, including 2x6 advanced framed walls, insulated slab, and heat pump water heater in a utility closet which was ducted to/from an encapsulated attic.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Building Performance Standards and Energy Code Alignment - Technical Brief

Building energy codes focus on building design, construction and renovation and have significantly increased building efficiency since the first national energy code was published in 1975. Most jurisdictions have energy codes based on ANSI/ASHRAE/IES Standard 90.1 (hereto referred to as Standard 90.1) and the International Energy Conservation Code (IECC). Compliance options available in these model energy codes include a prescriptive path, whole building performance paths – including IECC Total Building Performance (TBP), Standard 90.1 Energy Cost Budget (ECB) method and Performance Rating Method (PRM) – and system performance paths for envelope and heating, ventilation, and air-conditioning systems. Building performance standard (BPS) policies are an emerging policy tool used by jurisdictions to reduce the operational energy use or greenhouse gas (GHG) emissions of the existing commercial building stock. BPS policies vary widely between jurisdictions and are tailored to each location’s climate and energy goals. Intuitively, projects that met a recent edition of the energy code should comply with the BPS targets. However, some new buildings may struggle with meeting the BPS for the following reasons: 1. Energy codes focus on the design of the building and its projected ability to perform efficiently, while BPS compliance is dependent on the actual ongoing performance of the building, considering variables like occupancy, operation, and maintenance. 2. There are significant differences in the methodologies used to determine BPS compliance versus code compliance, including how each handles compliance metrics, handling of building amenities, and renewable energy generation. 3. The prescriptive compliance path in the energy code is based on performance of individual building components, as opposed to the performance compliance path which accounts for holistic building design strategies and interdependent building systems. This can result in a significant variability in post-occupancy performance for buildings built using the prescriptive path. Designs on the lower end of the permitted efficiency range may struggle with meeting the BPS.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Regal Beloit Final Technical Report

The original project proposal submitted from NovaTorque Inc (NovaTorque) in 2016 was to improve the existing motor with 95% efficiency by reducing the losses by 21% to achieve 96%. A few months after the proposal was submitted, NovaTorque lost funding and went out of business. The assets of NovaTorque were then acquired by Regal Beloit Corporation (“Regal Beloit” or “Regal”). When the NovaTorque proposal was selected, the project was transferred to Regal Beloit. Once we had production samples from the new Regal production line, they were tested at the Regal Beloit test lab in Wausau, WI. The original NovaTorque motor had an efficiency of 95%, but when the technology was transferred to Regal Beloit, there were multiple manufacturing improvements made, even though the basic electromagnetic design did not change. The test results in Wausau showed that the motors made at the Regal Beloit plant had an efficiency of 96%. Since the goal of the project was to reduce the losses by 21%, a new efficiency target of 96.8% became the project objective. In the first budget period, motors were tested to get the baseline performance. We then used FEA modeling with ANSYS Maxwell to model the existing motor to get correlation between the FEA simulations and the actual test results. Once the model was validated, we evaluated some changes that could be made to the stator to reduce the losses and improve efficiency without changing the rotor or stator housing, keeping the modifications easy to implement. The changes were primarily in the area of making the stator axially shorter and adding Soft Magnetic Composite (SMC) tooth tips. In the second budget period, we proceeded to design and build the new stator that was identified above and identified additional improvements in the process that included a stator machining modification and the use of rectangular wire. When we actually built the motor, the choice of rectangular wire turned out to be a problem. The wire was made by squishing round wire to get the rectangular shape, which caused work hardening, making the wire too stiff to make the desired coils. We shifted to annealed square wire which was better, but we still could not maintain the proper coil envelope. The result was that we had reduced cross section area for stator laminations. We also had to have a radial offset resulting in a radial misalignment between the stator and rotor because of the oversized coils. After the motor was completed, it was shipped to Texas A&M University for testing. With the loss of flux from these issues, the measured motor efficiency was only 96.3%. The primary focus of this motor was to make sure our FEA simulation model predicted the measured losses and overall efficiency, this we moved on to the FEA simulation. The FEA simulations of the motor “as built” with misalignments had good correlation with the test results, so the next step was to use that model to optimize the design of the motor for a final build. This time we considered changes to the stator and rotor and also minor changes to the housing diameter. In the third budget period, we did the detailed design and construction of the final prototypes. The final prototypes had a slight increase in the stator diameter to fit in a standard Regal Beloit housing. We shortened the stator and use more layers of wire in the coils. We also increased the cone angle of the rotor and stator from the original 110 degrees to 130 degrees to get some additional efficiency and optimized the stator cross section. The predicted efficiency from the FEA simulations was 96.9%. When completed, the motors were tested. We were a little short of reaching our target efficiency goal of 96.8%. We were only able to get to 96.7% efficiency. While it may be possible with additional iterations in designs and future builds to gain that additional 0.1%, we believe that we are close to the best we can achieve from a practical viewpoint, and additional iterations would be more work than the potential gains would be worth. No other motor in this class can even reach the 96% that we started with.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2012

EXPLORING THE EFFECTS OF STELLAR ROTATION AND WIND CLEARING: DEBRIS DISKS AROUND F STARS

We have conducted a study of debris disks around F stars in order to explore correlations between rotation, stellar winds, and circumstellar disks. We obtained new 24 {mu}m photometry from the Multiband Imaging Photometer for Spitzer (MIPS) camera for a sample of 188 relatively nearby F dwarfs with various rotation rates and optical colors, and combined it with archival MIPS data for 66 more F stars, as well as Wide-field Infrared Survey Explorer data for the entire sample, plus 9 more F stars. Based on the objects' K{sub s} - [24] and [3.4] - [22] colors, we identify 22 stars in our sample as having 22 and/or 24 {mu}m excesses above our detection limit, 13 of which are new discoveries. Our overall disk detection rate is 22/263, or 8%, consistent with previous determinations of disk fractions in the solar neighborhood. While fast-rotating stars are expected to have strong winds capable of efficiently removing dust, we find no correlation between rotational velocity and infrared excess. Similarly, we find no significant difference in excess detection rate between late-type F stars, which have convective surfaces, and early-type F stars, which have fully radiative envelopes. However, the essentially unknown range of ages in this sample may be washing out any effects relating rotation, winds, and disks.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure Calculations

We describe here a novel iterative strategy for Kohn–Sham density functional theory calculations aimed at large systems (>1,000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn–Sham Hamiltonian on every self-consistent field (SCF) iteration, we employ a two-level Chebyshev polynomial filter based complementary subspace strategy to (1) compute a set of vectors that span the occupied subspace of the Hamiltonian; (2) reduce subspace diagonalization to just partially occupied states; and (3) obtain those states in an efficient, scalable manner via an inner Chebyshev filter iteration. By reducing the necessary computation to just partially occupied states and obtaining these through an inner Chebyshev iteration, our approach reduces the cost of large metallic calculations significantly, while eliminating subspace diagonalization for insulating systems altogether. We describe the implementation of the method within the framework of the discontinuous Galerkin (DG) electronic structure method and show that this results in a computational scheme that can effectively tackle bulk and nano systems containing tens of thousands of electrons, with chemical accuracy, within a few minutes or less of wall clock time per SCF iteration on large-scale computing platforms. We anticipate that our method will be instrumental in pushing the envelope of large-scale ab initio molecular dynamics. As a demonstration of this, we simulate a bulk silicon system containing 8,000 atoms at finite temperature, and obtain an average SCF step wall time of 51 s on 34,560 processors; thus allowing us to carry out 1.0 ps of ab initio molecular dynamics in approximately 28 h (of wall time).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗