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DOE OSTI2022

Wind Beneath Your Wings

Advances in wind turbine technology and the need for renewable energy resources drive the rapid expansion of the wind industry in the Unites States and abroad. In 2019, wind energy overtook hydropower as the most-used source of renewable energy generation in the country, producing 300 million megawatt-hours of electricity or roughly 6% of the nation's total power output. Continuing this rapid expansion while also protecting wildlife requires more efficient and cost-effective wind-energy-wildlife impact monitoring and minimization technologies. The National Renewable Energy Laboratory's (NREL's) wind energy program offers unparalleled expertise in environmental science and wildlife impact mitigation, helping project partners develop and validate their ideas.

Altamont Pass↗

NASA NTRS1980

Lateral density variations in elastic Earth models from an extended minimum energy approach

Kaula's minimum energy approach was extended to include the nonhydrostatic gravitational potential energy and the density perturbation field was obtained to degree and order eight. The depth profiles for the density perturbation show a stratification with density excesses and deficiencies alternating with depth. The addition of the gravitational potential energy in the minimization process does not change significantly the conclusions based on results for the minimum shear strain energy case, concerning the inability of the mantle to withstand the lateral loading elastically.

Sanchez, B. V.↗

DOE OSTI2021

Bardeen-Cooper-Schrieffer pairing of composite fermions

Topological pairing of composite fermions has led to remarkable ideas, such as excitations obeying non-Abelian braid statistics and topological quantum computation. Here, we construct a p-wave paired Bardeen-Cooper-Schrieffer (BCS) wave function for composite fermions in the torus geometry, which is a convenient geometry for formulating momentum space pairing as well as for revealing the underlying composite-fermion Fermi sea. Following the standard BCS approach, we minimize the Coulomb interaction energy at half filling in the lowest and the second Landau levels, which correspond to filling factors ν = 1/2 and ν = 5/2 in GaAs quantum wells, by optimizing two variational parameters that are analogous to the gap and the Debye cut-off energy of the BCS theory. Our results show no evidence for pairing at ν = 1/2 but a clear evidence for pairing at ν = 5/2. To a good approximation, the highest overlap between the exact Coulomb ground state at ν = 5/2 and the BCS state is obtained for parameters that minimize the energy of the latter, thereby providing support for the physics of composite-fermion pairing as the mechanism for the 5/2 fractional quantum Hall effect. We discuss the issue of modular covariance of the composite-fermion BCS wave function, and calculate its Hall viscosity and pair correlation function. By similar methods, we look for but do not find an instability to s-wave pairing for a spin-singlet composite-fermion Fermi sea at half-filled lowest Landau level in a system where the Zeeman splitting has been set to zero.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Entanglement minimization in hadronic scattering with pions

Recent work [S. R. Beane, D. B. Kaplan, N. Klco and M. J. Savage, Phys. Rev. Lett. 122, 102001 (2019), arXiv:1812.03138.] conjectured that entanglement is minimized in low-energy hadronic scattering processes. It was shown that the minimization of the entanglement power (EP) of the low-energy baryon–baryon [Formula: see text]-matrix implies novel spin–flavor symmetries that are distinct from large-[Formula: see text] QCD predictions and are confirmed by high-precision lattice QCD simulations. Here, the conjecture of minimal entanglement is investigated for scattering processes involving pions and nucleons. The EP of the [Formula: see text]-matrix is constructed for the [Formula: see text] and [Formula: see text] systems, and the consequences of minimization of entanglement are discussed and compared with large-[Formula: see text] QCD expectations.

Physics↗

DOE OSTI2020

Investigating the minimum post-burst energy required to function an exploding bridgewire detonator

The minimum energy required after bridge-burst to function a commercially available RP-1 exploding bridgewire detonator with a gold bridgewire was investigated using two capacitor discharge units (CDUs) making use of state-of-the-art on/off high-voltage high-current switches. Both switches are capable of shutting off the current flow in ≈100ns and the conduction time was varied systematically to limit the duration of electrical energy delivered from the CDU until a detonation go/no-go threshold was reached. It was found that the minimal extra electrical energy required for a soft-fire (a statistically marginal go) was approximately half that required for a hard-fire (a definite go). Furthermore, the measured energy required to function the RP-1 detonator from the 11.5 kV CDU was approximately 20 mJ greater than for the 600 V CDU, and it is postulated that this was due to arcing across the detonator terminals and an associated current shunt that was not efficient at depositing energy conducive to detonator functioning. Measurements of the bridgewire temperatures bursting in air showed that the maximum temperature reached was consistent (≈18kK) when sufficient energy was delivered that the detonator functioned (either soft- or hard-fire), but that the temperature for a sub-threshold bridgewire burst was significantly cooler at approximately 8 kK. Furthermore, it was demonstrated that the intensity of the light emitted at burst scaled with deposited energy. A related finding is that the light emission from the bridgewire peaks some tens of nanoseconds after both peak voltage and peak electrical power.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

NASA NTRS2010

Integral Battery Power Limiting Circuit for Intrinsically Safe Applications

A circuit topology has been designed to guarantee the output of intrinsically safe power for the operation of electrical devices in a hazardous environment. This design uses a MOSFET (metal oxide semiconductor field-effect transistor) as a switch to connect and disconnect power to a load. A test current is provided through a separate path to the load for monitoring by a comparator against a preset threshold level. The circuit is configured so that the test current will detect a fault in the load and open the switch before the main current can respond. The main current passes through the switch and then an inductor. When a fault occurs in the load, the current through the inductor cannot change immediately, but the voltage drops immediately to safe levels. The comparator detects this drop and opens the switch before the current in the inductor has a chance to respond. This circuit protects both the current and voltage from exceeding safe levels. Typically, this type of protection is accomplished by a fuse or a circuit breaker, but in order for a fuse or a circuit breaker to blow or trip, the current must exceed the safe levels momentarily, which may be just enough time to ignite anything in a hazardous environment. To prevent this from happening, a fuse is typically current-limited by the addition of the resistor to keep the current within safe levels while the fuse reacts. The use of a resistor is acceptable for non-battery applications where the wasted energy and voltage drop across the resistor can be tolerated. The use of the switch and inductor minimizes the wasted energy. For example, a circuit runs from a 3.6-V battery that must be current-limited to 200 mA. If the circuit normally draws 10 mA, then an 18-ohm resistor would drop 180 mV during normal operation, while a typical switch (0.02 ohm) and inductor (0.97 ohm) would only drop 9.9 mV. From a power standpoint, the current-limiting resistor protection circuit wastes about 18 times more power than the switch and the inductor configuration. In the fault condition, both the resistor and the inductor react immediately. The resistor reacts by allowing more current to flow and dropping the voltage. Initially, the inductor reacts by dropping the voltage, and then by not allowing the current to change. When the comparator detects the drop in voltage, it opens the switch, thus preventing any further current flow. The inductor alone is not sufficient protection, because after the voltage drop has settled, the inductor would then allow the current to change, in this example, the current would be 3.7 A. In the fault condition, the resistor is flowing 200 mA until the fuse blows (anywhere from 1 ms to 100 s), while the switch and inductor combination is flowing about 2 A test current while monitoring for the fault to be corrected. Finally, as an additional safety feature, the circuit can be configured to hold the switch opened until both the load and source are disconnected.

Burns, Bradley M.↗

DOE OSTI2024

Raptor Monitoring and Minimization Technologies

In June 2023, the International Energy Agency Wind Task 34 - Working Together to Resolve the Environmental Effects of Wind Energy (WREN) - organized a forum to discuss monitoring and minimization strategies used to study raptor interactions with wind energy facilities. The forum included experts in raptor movement and behavior, minimization measures, technology validation, and wind energy development from four countries. The experts represented a range of international stakeholder groups including private industry, financial institutions, government agencies, nonprofit organizations, and wildlife consultants. This educational brief summarizes the discussion during the forum and written comments from additional participants who could not attend the live event. Relevant literature was used to provide additional context when needed.

minimization↗

DOE OSTI2023

Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene

Understanding complex chemical systems—such as biomolecules, catalysts, and novel materials—is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined with a suitable ansatz. However, straightforward application of many chemically-inspired ansatze yields prohibitively deep circuits. In this work, we employ several circuit optimization methods tailored for trapped-ion quantum devices to enhance the feasibility of intricate chemical simulations. The techniques aim to lessen the depth of the unitary coupled cluster with singles and doubles (uCCSD) ansatz's circuit compilation, a considerable challenge on current noisy quantum devices. Furthermore, we use symmetry-inspired classical post-selection methods to further refine the outcomes and minimize errors in energy measurements, without adding quantum overhead. Our strategies encompass optimal mapping from orbital to qubit, term reordering to minimize entangling gates, and the exploitation of molecular spin and point group symmetry to eliminate redundant parameters. The inclusion of error mitigation via post-selection based on known molecular symmetries improves the results to near milli-Hartree accuracy. These methods, when applied to a benzene molecule simulation, enabled the construction of an 8-qubit circuit with 69 two-qubit entangling operations, pushing the limits for variational quantum eigensolver (VQE) circuits executed on quantum hardware to date. 1 1 This manuscript has been authored in part by UT-Battelle, LLC, under contract DE-AC05-000R22725 with the US Department of Energy (DOE). The publisher acknowledges the US government license to provide public access under the DOE Public Access Plan(https://energy.gov/doe-public-access-plan).

Goings, Joshua↗

DOE OSTI2026

Analysis of strategies to meet ASHRAE S241 infectious aerosol control targets by space type and region using EnergyPlus™ simulations

Professional organizations, such as ASHRAE, have recently proposed new voluntary standards for controlling infectious aerosols. Specifically, ASHRAE Standard 241 (S241) defines equivalent clean air targets for a range of space types that can be met through combinations of mitigation measures. This paper seeks to inform the selection of measures by space type and climate zone through building simulations that quantify the impacts of increased outdoor air ventilation; increasing filtration and/or adding germicidal ultraviolet (GUV) in the central heating, ventilation, and air-conditioning (HVAC) systems; or using portable air cleaners (PACs), upper room GUV, or whole room GUV approaches to increase equivalent clean air delivery. The measures are assessed individually and in practical combinations for their ability to meet S241 in four space types (offices, classrooms, dining areas, and healthcare waiting rooms) using prototype buildings modeled using EnergyPlus. The mitigation measures are compared holistically against baseline building operations using metrics for equivalent clean air, energy, and comfort. The results in this study show that single measures can meet S241 for offices with minimal impacts on energy and comfort, while either upper room GUV systems or combinations of measures such as MERV 13 HVAC filtration with PACs are needed to meet S241 for classrooms. The dining area and healthcare waiting room targets cannot be met in this study when assuming design occupancy and MS2 as the challenge agent, even when combining multiple measures together. This paper provides valuable considerations when designing measures to meet S241 for a range of spaces and scenarios.

GUV↗

DOE OSTI2023

LongBondEliminator: A Molecular Simulation Tool to Remove Ring Penetrations in Biomolecular Simulation Systems

We develop a workflow, implemented as a plugin to the molecular visualization program VMD, that can fix ring penetrations with minimal user input. LongBondEliminator, detects ring piercing artifacts by the long, strained bonds that are the local minimum energy conformation during minimization for some assembled simulation system. The LongBondEliminator tool then automatically treats regions near these long bonds using multiple biases applied through NAMD. By combining biases implemented through the collective variables module, density-based forces, and alchemical techniques in NAMD, LongBondEliminator will iteratively alleviate long bonds found within molecular simulation systems. Through three concrete examples with increasing complexity, a lignin polymer, an viral capsid assembly, and a large, highly glycosylated protein aggrecan, we demonstrate the utility for this method in eliminating ring penetrations from classical MD simulation systems. The tool is available via gitlab as a VMD plugin, and has been developed to be generically useful across a variety of biomolecular simulations.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRSDate not supplied

Exploring Quantum State Preparation Using Tensor Networks and Sparse Wavefunction Simulations

The variational quantum eigenvalue solver is a powerful hybrid quantum-classical approach that has been suggested as a candidate method to run on near-term quantum hardware for computing ground state electronic energies of molecular systems. However, even for small molecules, the number of variational parameters and qubits required to minimize the electronic energy is beyond the reach of current quantum computers except for small basis sets. We explore a new paradigm for state preparation where we test how much of the optimization can be approximately prepared with classical computers to reduce the number of optimization steps performed using a quantum device. By adapting a recent algorithm for the factorized form of the UCC ansatz, we can study molecular electronic structure problems with up to 64 qubits. In addition, we also test a related approach of using tensor networks to optimize quantum circuits in order to benchmark various lattice models. We present results using these approaches and discuss strategies for incorporating these ideas into variational algorithms involving near-term quantum computers. Our results help demonstrate the strength of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction.

quantum computing↗

NASA NTRS1978

Transverse shear stiffness of laminated anisotropic shells

Equations are derived for the transverse shear stiffness of laminated anisotropic shells. Without making assumptions for thickness distribution for either transverse shear stresses or strains, constitutive equations for the transverse shear deformation theory of anisotropic heterogeneous shells are found. The equations are based on Taylor series expansions about a generic point for stress resultants and couples, identically satisfying plate equilibrium equations. These equations are used to find statically correct expressions for in-surface stresses, transverse shear stresses, and the area density of transverse shear strain energy, in terms of transverse shear stress resultants and redundants. The application of Castigliano's theorem of least work minimizes shear strain energy with respect to the redundants. Examples are presented for several laminated walls. Good agreement is found between the results and those of exact three-dimensional elasticity solutions for the cylindrical bending of a plate.

Cohen, G. A.↗

NASA NTRS2018

Assessment of the Mars Helicopter Thermal Design Sensitivities Using the Veritrek Software

The Mars Helicopter will be a technology demonstration conducted during the Mars 2020 mission. The primary mission objective is to achieve several 90-second flights and capture visible light images via forward and nadir mounted cameras. These flights could possibly provide reconnaissance data for sampling site selection for other Mars surface missions. The helicopter is powered by a solar array, which stores energy in secondary batteries for flight operations, imaging, communications, and survival heating. The helicopter thermal design is driven by minimizing survival heater energy while maintaining compliance with allowable flight temperatures in a variable thermal environment. Due to the small size of the helicopter and its complex geometries, along with the fact that it operates with very low power and small margins, additional care had to be paid while planning thermal tests and designing the thermal system. A Thermal Desktop® model has been developed to predict the thermal system’s performance. A reduced-order model (ROM) created with the Veritrek software has been utilized to explore the sensitivities of the thermal system’s drivers, such as electronics dissipations, gas gaps, heat transfer coefficients, etc., as well as to assess and verify the final thermal design. This paper presents the performance of the Veritrek software products and the details of the ROM creation process. The results produced by Veritrek were utilized to study the effect of the major thermal design drivers and Mars environment on the Mars Helicopter in as little as 10 days, an effort that would have taken over 4 months using traditional thermal analysis techniques.

Hengeveld, Derek W.↗

DOE OSTI2021

Urban microclimate and its impact on building performance: A case study of San Francisco

Urban microclimate exerts an increasing influence on urban buildings, energy, and sustainability. This study uses 10-year measured hourly weather data at 27 sites in San Francisco, California, to (1) analyze and visualize the urban microclimate patterns and urban heat island effect; (2) simulate annual energy use and peak electricity demand of typical large office buildings and large hotels to investigate the influence of urban microclimate on building performance; (3) simulate indoor air temperature of a single-family house without air-conditioning during the record three-day heatwave of 2017, to quantify the divergence of climate resilience due to urban microclimate effect. Results show significant microclimate effects in San Francisco with up to 11 °C outdoor air temperature difference between the coastal and downtown areas on September 1, 2017, during the record three-day heatwave. The simulated energy results of the prototype large office and large hotel buildings using the 2017 weather data show over 100% difference in annual heating energy use and 65% difference in annual cooling energy use across different stations; as well as up to 30% difference in peak cooling electricity demand. The impacts on annual site or source energy use are minimal (less than 5%) as cooling and heating in a mild climate are a relatively small portion of overall building energy use in San Francisco. Results also show the microclimate effects influence indoor air temperature of unconditioned homes by up to 5 °C. Newer buildings and homes are much less affected by microclimate effects due to more stringent performance requirements of the building envelope and energy systems. Furthermore, these findings inform that San Francisco microclimate variations should be considered in urban energy planning, building energy codes and standards, as well as heat resilience policymaking.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2001

Catalysis in the 3rd Dimension: How Organic Molecules May be Formed

Catalysis is often little more than a word to phenomenologically describe the fact that a reaction follows a pat1 that leads to products of an unexpected kind or of unexpected yield. Low activation energy barriers for intermediates are recognized as the most likely cause why a system deviates from the thermodynamic pull towards minimizing its free energy and ends up in a metastable state. Seldom is the mechanism known. This i: particularly true for heterogeneous catalysis under hydrothermal conditions with minerals as catalysts. It is commonly assumed that catalytic action takes place across solid-fluid interfaces and that, on the atomic level, interfaces are just 2-dimensional contacts. This makes it difficult to understand, for instance, the assembly of long-chain carboxylic (fatty) acids. 3y studying single crystals that grew from a melt in the presence of H2O and CO2, we can show: (1) that numerals take up the fluid components into solid solution, (2) that some-thing happens converting them to -educedH and C, (3) that C atoms segregate into dislocations and tie C-C bonds. The products are medium-to-long chain Cn protomolecules, with some C-H attached, pre-assembled in the dislocations. Upon solvent extraction, these proto-molecules turn into carboxylic and dicarboxylic acids. This observation suggests that, in a very elementary step, catalysis under hydrothermal conditions leading to fatty acids involves the pre-assembly of Cn entities in the interface that is not 2-D but extends into the 3rd dimension, with dislocations as synthesis sites.

Freund, Friedemann↗

DOE OSTI2025

Techno-Economic Analysis and Life Cycle Assessment for the Separation of 2,3-Butanediol from Fermentation Broth Using Liquid–Liquid Extraction

It is energy-intensive to separate dilute 2,3-butanediol (2,3-BDO) (<10 wt %) from the aqueous phase of fermentation broth for sustainable aviation fuel (SAF) using conventional distillation. Liquid–liquid extraction (LLE) using oleyl alcohol as a solvent in a membrane extractor to extract BDO from water can significantly reduce the energy cost and minimize the potential emulsion. In an Aspen Plus model simulation, 95.2% BDO recovery and 97.1% BDO purity have been achieved using this LLE method with solvent recovery and heat integration. Here, the thermal energy cost was estimated to be 4.57 MJ/kg BDO, which is only about 16.8% of the lower heating value (LHV) of the BDO. This method consumes 81% less energy than the cascade distillation and reduces about $0.46/GGE (gasoline gallon equivalent) to the minimal fuel selling price. Meanwhile, the greenhouse gas (GHG) emission is 62% lower than petroleum-based jet fuel production and 34% less than using the cascade distillation.

09 BIOMASS FUELS↗

DOE OSTI2021

Achieving high ethylene yield in non-oxidative ethane dehydrogenation

Steam cracking of ethane, a non-catalytic thermochemical process, remains the dominant means of ethylene production. The severe reaction conditions and energy expenditure involved in this process incentivize the search for alternative reaction pathways and reactor designs which maximize ethylene yield while minimizing cost and energy input. Herein, we report a comparison of catalytic and non-catalytic non-oxidative dehydrogenation of ethane. We achieve ethylene yields as high as 67 % with an open tube quartz reactor without the use of a catalyst at residence times ~4 s. The open tube reactor design promotes simplicity, low cost, and negligible coke formation. Pristine quartz tubes were most effective, since coke formation was detected when defects were introduced by scratching the surface of the quartz. Surprisingly, the addition of solids to the quartz tube, such as quartz sand, alumina powder, or even Pt-based intermetallic catalysts, led to lower ethylene yield. Pt alloy catalysts are effective at lower temperatures, such as at 575 °C, but conversion is limited due to thermodynamic constraints. When operated at industrially relevant temperatures, such as 700 °C and above, these catalysts were not stable in our tests, causing ethylene yield to drop below that of the open tube. Furthermore, these results suggest that future research on non-oxidative dehydrogenation should be directed at optimizing reactor designs to improve the conversion of ethane to ethylene, since this approach shows promise for decentralized production of ethylene from natural gas deposits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Efficient low-temperature, catalyst-free dehydrogenation of alkanes

Riley, Christopher Ryan↗