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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Final Technical Report for DE-SC0022206

This project developed foundational genetic, genomic, and epigenetic tools for anaerobic fungi (Neocallimastigomycota), a group of microorganisms with exceptional natural abilities to deconstruct lignocellulosic biomass. Efficient biomass deconstruction remains a major barrier to economical production of renewable fuels, chemicals, and materials from agricultural and forestry residues. The project sought to enable mechanistic studies and future engineering of anaerobic fungi by improving genomic resources, establishing methods for gene expression, and investigating epigenetic regulation of biomass-degrading pathways. Major accomplishments included generation of the first chromosome-scale genome assemblies for multiple anaerobic fungal species, providing publicly available genomic resources that support both engineering and fundamental biological research. The project established the first reproducible system for heterologous gene expression in anaerobic fungi and identified genomic features and mobile genetic elements that may support future development of stable transformation technologies. In parallel, the project demonstrated direct conversion of untreated lignocellulosic biomass into fuels and specialty chemicals through a fungal-yeast bioprocess and identified anaerobic fungal enzymes with utility for metabolic engineering. The research also revealed that epigenetic regulation plays an important role in controlling fungal gene expression and enzyme production, identifying potential strategies for enhancing biomass degradation. Collectively, this work established anaerobic fungi as a tractable emerging platform for bioenergy and biomanufacturing research, generated valuable public resources, trained the next generation of researchers, and advanced DOE-BER goals related to predictive biology, sustainable bioprocessing, and the circular bioeconomy.

Solomon, Kevin [University of Delaware] (ORCID:000↗
NASA NTRS1987

Observation of millimeter-wave oscillations from resonant tunneling diodes and some theoretical considerations of ultimate frequency limits

Recent observations of oscillation frequencies up to 56 GHz in resonant tunneling structures are discussed in relation to calculations by several authors of the ultimate frequency limits of these devices. It is found that calculations relying on the Wentzel-Kramers-Brillouin (WKB) approximation give limits well below the observed oscillation frequencies. Two other techniques for calculating the upper frequency limit were found to give more reasonable results. One method employs the solution of the time-dependent Schroedinger equation obtained by Kundrotas and Dargys (1986); the other uses the energy width of the transmission function for electrons through the double-barrier structure. This last technique is believed to be the most accurate since it is based on general results for the lifetime of any resonant state. It gives frequency limits on the order of 1 THz for two recently fabricated structures. It appears that the primary limitation of the oscillation frequency for double-barrier resonant-tunneling diodes is imposed by intrinsic device circuit parameters and by the transit time of the depletion layer rather than by time delays encountered in the double-barrier region.

Sollner, T. C. L. G.↗
NASA NTRS1993

Theoretical characterization of the reaction NH2+NO - products

The potential energy surface (PES) for NH2+NO is characterized using complete active space self-consistent-field (CASSCF)/derivative methods to locate the stationary points, followed by internally contracted configuration interaction (ICCI) calculations to determine the energetics. Production of N2+H2O is found to involve a complex mechanism, which, however, has no barrier with respect to NH2+NO. This pathway is exothermic by 124.5 kcal/mol. Production of NH2+OH can occur with no barrier other than the exothermicity from any of three isomers of HNNOH.

Walch, Stephen P.↗
NASA NTRS1996

On the Reaction of FNO2 with CH3, t-butyl, and C13H21

Theoretical studies are reported for the reaction of FN02 with the radicals CH3, t-butyl, and C13H21, which are templates for the radical site of a hydrogenated diamond surface. All structures axe fully optimized using density functional theory (DFT) based on the B3LYP functional. Calibration calculations axe performed for CH3 + FNO2 using the coupled cluster approach, the the internally contracted multireference configuration. interaction method, and second order perturbation theory based upon complete active space SCF (CASSCF) reference wave function. These calibration calculations support the B3LYP approach for the calculation of bond energies, but show the B3LYP barrier is too low. Combining the calibration calculations with the larger clusters yields our best estimate of a barrier of about 10 kcal/mol. for the reaction of FNO2 with a radical site on hydrogenated diamond.

Thuemmel, H. T.↗
NASA NTRS2007

Increasing Durability of Flame-Sprayed Strain Gauges

Thermally sprayed dielectric ceramic coatings are the primary means of attaching strain and temperature gauges to hot-section rotating parts of turbine engines. As hot-section temperatures increase, lifetimes of installed gauges decrease, and seldom exceed one hour above 2,000 F (approx.1,100 C). Advanced engine components are expected to operate at temperatures approaching 2,200 F (approx.1,200 C), and the required high-temperature lifetime is 10 hours minimum. Typically, to enable a ceramic coating to adhere to the smooth surface of an engine component, a thermally sprayed NiCrAlY or NiCoCrAlY bond coat is applied to the smooth surface, thereby providing a textured surface to which the ceramic coat can adhere. The main failure mechanism of this system is decohesion and/or delamination at the interface between the ceramic top coat and the bond coat, caused by oxidation of the bond coat and stresses from the mismatch between the coefficients of thermal expansion of the ceramic top coat and the metallic bond coat. The approach taken to increase the high-temperature lifetime of a gauge attached to an engine component by the method described above involves (1) selective oxidation of the bond coat by means of a heat treatment in reduced oxygen partial pressure followed by (2) the application of a noble-metal diffusion barrier. In experiments to test this approach, heat treatments of NiCoCrAlY bond coats were carried out in a tube furnace in which, in each case, the temperature was alternately (1) increased at a rate of 3 C per minute and (2) held steady for one hour until the desired temperature was reached. The tube furnace was continuously purged with dry nitrogen gas. A final heat-treatment temperature range of 1,600 to 1,800 F (871 to 982 C) proved most beneficial.

Gregory, Otto J.↗
NASA NTRS2011

Spacecraft Testing Programs: Adding Value to the Systems Engineering Process

Testing has long been recognized as a critical component of spacecraft development activities - yet many major systems failures may have been prevented with more rigorous testing programs. The question is why is more testing not being conducted? Given unlimited resources, more testing would likely be included in a spacecraft development program. Striking the right balance between too much testing and not enough has been a long-term challenge for many industries. The objective of this paper is to discuss some of the barriers, enablers, and best practices for developing and sustaining a strong test program and testing team. This paper will also explore the testing decision factors used by managers; the varying attitudes toward testing; methods to develop strong test engineers; and the influence of behavior, culture and processes on testing programs. KEY WORDS: Risk, Integration and Test, Validation, Verification, Test Program Development

Britton, Keith J.↗
DOE OSTI2021

On the Use of Smart Meter Data to Estimate the Voltage Magnitude on the Primary Side of Distribution Service Transformers: Preprint

This paper develops a novel method to estimate the voltage magnitude on the primary side of distribution service transformers. The proposed method relies exclusively on smart meters, and therefore it is fully data-driven. This is an important feature because electric utilities have detailed models of only the primary network--that is, the network between the distribution substation and the primary side of service transformers that are installed closer to end-customer sites. The network that connects the secondary side of service transformers to end-customer sites, referred to as the secondary network, is simply represented by a lumped load. For each secondary network, the proposed method uses data acquired from only 2 smart meters: the closest and the farthest--in the sense of electrical distance--from the service transformer. As a reference to this feature, the proposed method is named SM2Vp. To our knowledge, this is the first time a method is shown to provide actionable information for real-time operation and control of power distribution grids using only two smart meters per secondary network. This is important because utilities have experienced barriers in managing and using large data sets for real-time operation and control. SM2Vp is primarily intended to provide pseudo-measurements for distribution system state estimation, but it can also be used directly for voltage control schemes. The performance of SM2Vp is demonstrated by numerical simulations carried out on three secondary network synthetic models and by using field data provided by a utility partner serving customers in southwestern California. A maximum relative error of approximately 3.9% or less is observed for the primary voltage magnitude estimates in all numerical experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Electrostatic Barriers to Nanoparticle Accessibility of a Porous Matrix

Translocation from one cavity to another through a narrow constriction (i.e., a “hole”) represents the fundamental elementary process underlying hindered mass transport of nanoparticles and macromolecules within many natural and synthetic porous materials, including intracellular environments. This process is complex and may be influenced by long-range (e.g., electrostatic) particle–wall interactions, transient adsorption/desorption, surface diffusion, and hydrodynamic effects. In this study, we used a three-dimensional (3D) tracking method to explicitly visualize the process of nanoparticle diffusion within periodic porous nanostructures, where electrostatic interactions were mediated via ionic strength. The effects of electrostatic interactions on nanoparticle transport were surprisingly large. For example, an increase in the Debye length of only a few nanometers (in a material with a hole diameter of ~100 nm) increased the mean cavity escape time 3-fold. A combination of computational and experimental analyses indicated that this hindered cavity escape was due to an electrostatic energy barrier in the region of the hole, which was quantitatively explained using DLVO theory. These findings explicitly demonstrate that the cavity escape process was barrier-limited and dominated by electrostatic effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Applications of Automation Methods for Nonlinear Fracture Test Analysis

Using automated and standardized computer tools to calculate the pertinent test result values has several advantages such as: 1. allowing high-fidelity solutions to complex nonlinear phenomena that would be impractical to express in written equation form, 2. eliminating errors associated with the interpretation and programing of analysis procedures from the text of test standards, 3. lessening the need for expertise in the areas of solid mechanics, fracture mechanics, numerical methods, and/or finite element modeling, to achieve sound results, 4. and providing one computer tool and/or one set of solutions for all users for a more "standardized" answer. In summary, this approach allows a non-expert with rudimentary training to get the best practical solution based on the latest understanding with minimum difficulty.Other existing ASTM standards that cover complicated phenomena use standard computer programs: 1. ASTM C1340/C1340M-10- Standard Practice for Estimation of Heat Gain or Loss Through Ceilings Under Attics Containing Radiant Barriers by Use of a Computer Program 2. ASTM F 2815 - Standard Practice for Chemical Permeation through Protective Clothing Materials: Testing Data Analysis by Use of a Computer Program 3. ASTM E2807 - Standard Specification for 3D Imaging Data Exchange, Version 1.0 The verification, validation, and round-robin processes required of a computer tool closely parallel the methods that are used to ensure the solution validity for equations included in test standard. The use of automated analysis tools allows the creation and practical implementation of advanced fracture mechanics test standards that capture the physics of a nonlinear fracture mechanics problem without adding undue burden or expense to the user. The presented approach forms a bridge between the equation-based fracture testing standards of today and the next generation of standards solving complex problems through analysis automation.

Allen, Phillip A.↗
DOE OSTI2023

Role of isospin composition in low-energy nuclear fusion

We employ a microscopic approach that examines the impact of isospin dynamics on the process of low- energy nuclear fusion along an isotope chain and dependence on deformation. Our method utilizes the density constrained time-dependent Hartree-Fock theory (DC-TDHF), where isoscalar and isovector characteristics of the energy density functional (EDF) are examined in turn. This approach is applied to a series of fusion interactions of 176 Yb with increasingly neutron rich isotopes of calcium. By evaluating the contributions from the isoscalar and isovector components of the EDF, we look to quantify the influence of isospin composition on the conditions under which fusion is most likely to take place. Furthermore, our findings reveal that, in nonsymmetric systems, the isovector dynamics plays a significant role. Its typical effect is a reduction in the potential barrier, which turns into enhancement for neutron-rich systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1994

The Fraternal Twins of Quartet O4(+)

Eleven stationary geometries of quartet O4(+) have been studied by ab initio methods. The geometries were optimized at the Complete Active Space Self-Consistent Field (CASSCF) level of theory and the energies were calculated by the multiconfigurational second order pertubation method (CASPT2), using Double-Zeta Plus polarization (DZP), Triple-Zeta Plus Double Polarization (TZ2P), average Atomic Natural Orbital (ANO) (5s4p2d) and average ANO (6s5p3d2f) basis sets. The rectangular and trans-planar structures are found to be the most stable, with an energy barrier to conversion between the two at the threshold of dissociation. Both have a delocalized hole and are stable relative to separated 02 and 02(+)by 11.0 and 11.5 kcal/mol for the rectangular and the 2 trans-planar structure, respectively, compared with the experimentally deduced energy in the range of 9.2 to 10.8 kcal/mol. The adiabatic ionization potentials of 04 and 02 are computed to be 11.67 and 12.21 eV, while experimental values are 11.66 and 12.07 eV, respectively. The vibrational frequencies have been computed for all degrees of freedom at the CASSCF level of theory. Symmetry breaking is found to be a particular problem in the computation of the antisymmetric stretch frequency for the delocalized structures at the CASSCF level of theory. Attempts to rectify these problems using the restricted active space self-consistent field (RASSCF) method leads to additional difficulties, but further analysis yields insight into the symmetry breaking and problems with earlier calculations. Finally, a nonorthogonal configuration interaction (CI) calculation based on the interaction of localized CASSCF wave functions using the Complete Active Space State Interation (CASSI) method leads to a balanced treatment of the antisymmetric stretch which is free from symmetry breaking. The study explains the four most prominent absorption frequencies observed in the partially unassigned IR spectrum of O4(+) isolated in solid neon as the antisymmetric OO stretch, and the combination band of the symmetric and antisymmetric 00 stretch of both the rectangular and trans-planar structures.

Lindh, Roland↗
DOE OSTI2020

Probing Mg Intercalation in the Tetragonal Tungsten Bronze Framework V 4 Nb 18 O 55

While commercial Li-ion batteries offer the highest energy densities of current rechargeable battery technologies, their energy storage limit has almost been achieved. Therefore, there is considerable interest in Mg batteries, which could offer increased energy densities in comparison to Li-ion batteries if a high-voltage electrode material, such as a transition-metal oxide, can be developed. However, there are currently very few oxide materials which have demonstrated reversible and efficient Mg 2+ insertion and extraction at high voltages; this is thought to be due to poor Mg 2+ diffusion kinetics within the oxide structural framework. Here, in this paper, the authors provide conclusive evidence of electrochemical insertion of Mg 2+ into the tetragonal tungsten bronze V 4 Nb 18 O 55 , with a maximum reversible electrochemical capacity of 75 mA h g –1 , which corresponds to a magnesiated composition of Mg 4 V 4 Nb 18 O 55 . Experimental electrochemical magnesiation/demagnesiation revealed a large voltage hysteresis with charge/discharge (1.12 V vs Mg/Mg 2+ ); when magnesiation is limited to a composition of Mg 2 V 4 Nb 18 O 55 , this hysteresis can be reduced to only 0.5 V. Hybrid-exchange density functional theory (DFT) calculations suggest that a limited number of Mg sites are accessible via low-energy diffusion pathways, but that larger kinetic barriers need to be overcome to access the entire structure. The reversible Mg 2+ intercalation involved concurrent V and Nb redox activity and changes in crystal structure, as confirmed by an array of complementary methods, including powder X-ray diffraction, X-ray absorption spectroscopy, and energy-dispersive X-ray spectroscopy. Consequently, it can be concluded that the tetragonal tungsten bronzes show promise as intercalation electrode materials for Mg batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Roll-to-Roll, Dual-Layer Slot Die Coating of Chitin and Cellulose Oxygen Barrier Films for Renewable Packaging

Cellulose and chitin are the two most abundant naturally produced biopolymers and are being extensively studied as candidates for renewable oxygen barrier films used in packaging. It has been shown that bilayers formed from cellulose nanocrystals (CNCs) and chitin nanofibers (ChNFs) exhibit oxygen barrier properties similar to polyethylene terephthalate (PET). However, this prior work explored only coating each layer individually in sequence through techniques such as spray coating. Here, we demonstrate the viability of dual-layer slot die coating of CNC/ChNF bilayers onto cellulose acetate (CA) substrates. The dual-layer slot die method enables significantly lower oxygen permeability versus spray coating while using a roll-to-roll system that applies the bilayer in a single pass. This work discusses suspension properties, wetting, and drying conditions required to achieve well-controlled ChNF/CNC bilayers. Spray-coated bilayer films were on average 25% thinner than the dual-layer bilayer film; however, the thickness-normalized oxygen permeability (OP) of the dual-layer-coated ChNF/CNC bilayer film on CA was 20 times better than that of the spray-coated bilayers. Additionally, it has been shown that ChNF contributes to the wetting and barrier properties. Values of OP for the slot die-coated bilayers under optimized drying conditions were as low as 1.2 cm 3 ∙μm∙m -2 ∙d -1 ∙kPa -1 , corresponding to a normalized oxygen transmission rate of 0.32 cm 3 ∙m -2 ∙d -1 at 23 °C and 50% relative humidity. It is also noted that the adhesive properties of the dual-layer coating are also improved when films are air-dried and that ChNF contributes to the wetting and barrier properties.

09 BIOMASS FUELS↗
DOE OSTI2022

Multifamily Air Leakage Evaluation: A Modular Case Study

The purpose of this case study is to compare the air leakage rates of modular and site-built multifamily dwelling units. The methods, materials, and equipment were observed to be very similar in the modular and site-constructed units in this case study. The installation quality of building envelope measures such as insulation and air barrier appeared to be better for modular construction, because they were installed in a controlled, factory setting. Through field observations, we identified cosmetic damage to the envelope of modular units following transport to the building site, but with no resulting significant air leakage pathways. However, we did see air leakage pathways resulting from field modifications to the envelope of modular units to accommodate structural and mechanical connections. We found that the extensive use of through-wall HVAC systems, combined with the transport, placement, and rework of modular units may compromise the high-quality envelope installation and airtightness observed in the factory without careful planning and/or design. Opportunities for improvement identified from the tested modular dwelling units include minimizing and optimally locating penetrations, pre-cutting and detailing penetrations at the factory where possible, properly sealing field modifications, and using split HVAC systems in place of through-wall packaged systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1982

Minority carrier diffusion length measurements - A review and comparison of techniques

A review of the major techniques for measuring minority carrier diffusion lengths in solar cells is given. Limits of applicability are indicated for each method, as relevant to indirect bandgap materials such as silicon, and direct bandgap materials like gallium arsenide. A discussion and bibliography is presented for the following techniques: uniform generation, electron beam induced current, Schottky barrier (and other steady-state) photocurrent, surface photovoltage, transient decay, and luminescence.

Khan, A. A.↗
NASA NTRS1984

Theoretical design of acoustic treatment for cabin noise control of a light aircraft

An analytical procedure has been used to design an acoustic treatment for cabin noise control of a light aircraft. Using this approach acoustic add-on treatments capable of reducing the average noise levels in the cabin by about 17 dB from the untreated condition are developed. The added weight of the noise control package is about 2 percent of the total gross take-off weight of the aircraft. The analytical model uses modal solutions wherein the structural modes of the sidewall and the acoustic modes of the receiving space are accounted for. The additional noise losses due to add-on treatments are calculated by the impedance transfer method. The input noise spectral levels are selected utilizing experimental flight data. The add-on treatments considered for cabin noise control include aluminum honeycomb panels, constrained layer damping tape, porous acoustic materials, noise barriers and limp trim panels. To reduce the noise transmitted through the double wall aircraft windows to acceptable levels, changes in the design of the aircraft window are recommended.

Vaicaitis, R.↗
NASA NTRS2001

Microstructural Investigation of High Emittance Glass Coatings on Fibrous Ceramic Insulation

This viewgraph presentation provides an overview of the Space Shuttle Thermal Protection System (TPS) and the various products incorporated in the TPS. There are three tile systems which include pure silica, fibrous refractory composite insulation (FRCI), and alumina enhanced thermal barrier (AETB). Coating systems include reaction cured glass (RCG) and toughened uni-piece insulation (TUFI). The microstructures of these systems are explored as are the manufacturing processes associated with each. Microstructural investigation using methods such as automated X-ray spectral image analysis (AXSIA) is a crucial part of understanding the mechanical nature of these systems.

Ellerby, Don↗
NASA NTRS2017

An Advanced Trajectory-Based Operations Prototype Tool and Focus Group Evaluation

Trajectory-based operations (TBO) is a key concept in the Next Generation Air Transportation System transformation of the National Airspace System (NAS) that will increase the predictability and stability of traffic flows, support a common operational picture through the use of digital data sharing, facilitate more effective collaborative decision making between airspace users and air navigation service providers, and enable increased levels of integrated automation across the NAS. The National Aeronautics and Space Administration (NASA) has been developing trajectory-based systems to improve the efficiency of the NAS during specific phases of flight and is now also exploring Advanced 4-Dimensional Trajectory (4DT) operational concepts that will integrate these technologies and incorporate new technology where needed to create both automation and procedures to support gate-to-gate TBO. A TBO Prototype simulation toolkit has been developed that demonstrates initial functionality that may reside in an Advanced 4DT TBO concept. Pilot and controller subject matter experts (SMEs) were brought to the Air Traffic Operations Laboratory at NASA Langley Research Center for discussions on an Advanced 4DT operational concept and were provided an interactive demonstration of the TBO Prototype using four example scenarios. The SMEs provided feedback on potential operational, technological, and procedural opportunities and concerns. After viewing the interactive demonstration scenarios, the SMEs felt the operational capabilities demonstrated would be useful for performing TBO while maintaining situation awareness and low mental workload. The TBO concept demonstrated produced defined routings around weather which resulted in a more organized, consistent flow of traffic where it was clear to both the controller and pilot what route the aircraft was to follow. In general, the controller SMEs felt that traffic flow management should be responsible for generating and negotiating the operational constraints demonstrated, in cooperation with the Air Traffic Control System Command Center, while air traffic control should be responsible for the implementation of those constraints. The SMEs also indicated that digital data communications would be very beneficial for TBO operations and would result in less workload due to reduced communications, would eliminate issues due to language barriers and frequency problems, and would make receiving, loading, accepting, and executing clearances easier, less ambiguous, and more expeditious. This paper describes an Advanced 4DT operational concept, the TBO Prototype, the demonstration scenarios and methods used, and the feedback obtained from the pilot and controller SMEs in this focus group evaluation.

Guerreiro, Nelson M.↗