Results for “Route optimization” — Page 42

DOE OSTI2022

Orthogonal glycolytic pathway enables directed evolution of noncanonical cofactor oxidase

Abstract Noncanonical cofactor biomimetics (NCBs) such as nicotinamide mononucleotide (NMN + ) provide enhanced scalability for biomanufacturing. However, engineering enzymes to accept NCBs is difficult. Here, we establish a growth selection platform to evolve enzymes to utilize NMN + -based reducing power. This is based on an orthogonal, NMN + -dependent glycolytic pathway in Escherichia coli which can be coupled to any reciprocal enzyme to recycle the ensuing reduced NMN + . With a throughput of >10 6 variants per iteration, the growth selection discovers a Lactobacillus pentosus NADH oxidase variant with ~10-fold increase in NMNH catalytic efficiency and enhanced activity for other NCBs. Molecular modeling and experimental validation suggest that instead of directly contacting NCBs, the mutations optimize the enzyme’s global conformational dynamics to resemble the WT with the native cofactor bound. Restoring the enzyme’s access to catalytically competent conformation states via deep navigation of protein sequence space with high-throughput evolution provides a universal route to engineer NCB-dependent enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Beyond low lignin: Identifying the primary barrier to plant biomass conversion by fermentative bacteria

Renewable alternatives for nonelectrifiable fossil-derived chemicals are needed and plant matter, the most abundant biomass on Earth, provide an ideal feedstock. However, the heterogeneous polymeric composition of lignocellulose makes conversion difficult. Lignin presents a formidable barrier to fermentation of nonpretreated biomass. Extensive chemical and enzymatic treatments can liberate fermentable carbohydrates from plant biomass, but microbial routes offer many advantages, including concomitant conversion to industrial chemicals. Here, testing of lignin content of nonpretreated biomass using the cellulolytic thermophilic bacterium,Anaerocellum bescii, revealed that the primary microbial degradation barrier relates to methoxy substitutions in lignin. This contrasts with optimal lignin composition for chemical pretreatment that favors high S/G ratio and low H lignin. Genetically modified poplar trees with diverse lignin compositions confirm these findings. In addition, poplar trees with low methoxy content achieve industrially relevant levels of microbial solubilization without any pretreatments and with no impact on tree fitness in greenhouse.

Science & Technology - Other Topics↗

NASA NTRS1994

Interactive orbital proximity operations planning system instruction and training guide

This guide instructs users in the operation of a Proximity Operations Planning System. This system uses an interactive graphical method for planning fuel-efficient rendezvous trajectories in the multi-spacecraft environment of the space station and allows the operator to compose a multi-burn transfer trajectory between orbit initial chaser and target trajectories. The available task time (window) of the mission is predetermined and the maneuver is subject to various operational constraints, such as departure, arrival, spatial, plume impingement, and en route passage constraints. The maneuvers are described in terms of the relative motion experienced in a space station centered coordinate system. Both in-orbital plane as well as out-of-orbital plane maneuvering is considered. A number of visual optimization aids are used for assisting the operator in reaching fuel-efficient solutions. These optimization aids are based on the Primer Vector theory. The visual feedback of trajectory shapes, operational constraints, and optimization functions, provided by user-transparent and continuously active background computations, allows the operator to make fast, iterative design changes that rapidly converge to fuel-efficient solutions. The planning tool is an example of operator-assisted optimization of nonlinear cost functions.

Grunwald, Arthur J.↗

NASA NTRS2020

Required Filtering to Optimize Use of TOS

This presentation was originally given to ATD-2 industry partners at the Surface CDM (Collaborative Decision Making) Team (SCT) & Flow Evaluation Team (FET) meeting at NTX on 2/20/2020. The briefing presented lessons learned from Stormy 19, an overview of how terminal restrictions are handled by the ATD-2 system, and additional Trajectory Option Sets (TOS) route filtering capabilities planned for Stormy 20.

ATD-2↗

DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗

DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗

DOE OSTI2017

Thermodynamic and Microstructural Mechanisms in the Corrosion of Advanced Ceramic Tc-bearing Waste Forms and Thermophysical Properties

Technetium-99 (Tc, t 1/2 = 2.13x10 5 years) is a challenge from a nuclear waste perspective and is one of the most abundant, long-lived radioisotopes found in used nuclear fuel (UNF). Within the Hanford Tank Waste Treatment and Immobilization Plant, technetium volatilizes at typical glass melting temperature, is captured in the off-gas treatment system and recycled back into the feed to eventually increase Tc-loadings of the glass. The aim of this NEUP project was to provide an alternative strategy to immobilize fission technetium as durable ceramic waste form and also to avoid the accumulation of volatile technetium within the off gas melter system in the course of vitrifying radioactive effluents in a ceramic melter. During this project our major attention was turned to the fabrication of chemical durable mineral phases where technetium is structurally bond entirely as tetravalent cation. These mineral phases will act as the primary waste form with optimal waste loading and superior resistance against leaching and corrosion. We have been very successful in fabricating phase-pure micro-gram amounts of lanthanide-technetium pyrochlores by dry-chemical synthesis. However, upscaling to a gram-size synthesis route using either dry- or wet-chemical processing was not always successful, but progress can be reported on a variety of aspects. During the course of this 5-year NEUP project (including a 2-year no-cost extension) we have significantly enhanced the existing knowledge on the fabrication and properties of ceramic technetium waste forms.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1988

Comparison of the surface charge behavior of commercial silicon nitride and silicon carbide powders

The adsorption and desorption of protons from aqueous solution onto the surfaces of a variety of commercial silicon carbide and silicon nitride powders has been examined using a surface titration methodology. This method provides information on some colloidal characteristics, such as the point of zero charge (pzc) and the variation of proton adsorption with dispersion pH, useful for the prediction of optimal ceramic-processing conditions. Qualitatively, the magnitude of the proton adsorption from solution reveals small differences among all of the materials studied. However, the results show that the pzc for the various silicon nitride powders is affected by the powder synthesis route. Complementary investigations have shown that milling can also act to shift the pzc exhibited by silicon nitride powder. Also, studies of the role of the electrolyte in the development of surface charge have indicated no evidence of specific adsorption of ammonium ion on either silicon nitride or silicon carbide powders.

Whitman, Pamela K.↗

NASA NTRS2017

Assessment of Air Traffic Controller Acceptability of Aircrew Route Change Requests

NASA developed the traffic aware strategic aircrew requests concept for a cockpit automation that identifies route improvements and advises the aircrew to request the change from the air traffic controller. In order to increase the chance of air traffic control approval, the automation ensures that the route is clear of known traffic, weather, and airspace restrictions. Hence the technology is anticipated to provide benefits in areas such as flight efficiency, flight schedule compliance, passenger comfort, and pilot and controller workload. In support of a field trial of a prototype of the technology, observations were conducted at the Atlanta and Jacksonville air traffic control centers to identify the main factors that affect the acceptability of aircrew requests by air traffic controllers. Observers shadowed air traffic controllers as the test flight pilot made pre-scripted requests to invoke acceptability issues and then they interviewed voluntarily fifty controllers with experience ranging from one to thirty-five years. The most common reason for rejecting requests is conflicting with traffic followed by violating air traffic procedures, increasing sector workload, and conflicting with major arrival and departure flows and flow restrictions. Quantitative parameters such as the distance that a route should maintain from sector boundaries and special use airspace were identified and recommended for inclusion in the automation.

Flight Optimization; Field Trial↗

NASA NTRS2017

Assessment of Air Traffic Controller Acceptability of Aircrew Route Change Requests

NASA developed the traffic aware strategic aircrew requests concept for a cockpit automation that identifies route improvements and advises the aircrew to request the change from the air traffic controller. In order to increase the chance of air traffic control approval, the automation ensures that the route is clear of known traffic, weather, and airspace restrictions. Hence the technology is anticipated to provide benefits in areas such as flight efficiency, flight schedule compliance, passenger comfort, and pilot and controller workload. In support of a field trial of a prototype of the technology, observations were conducted at the Atlanta and Jacksonville air traffic control centers to identify the main factors that affect the acceptability of aircrew requests by air traffic controllers. Observers shadowed air traffic controllers as the test flight pilot made pre-scripted requests to invoke acceptability issues and then they interviewed voluntarily fifty controllers with experience ranging from one to thirty-five years. The most common reason for rejecting requests is conflicting with traffic followed by violating air traffic procedures, increasing sector workload, and conflicting with major arrival and departure flows and flow restrictions. Quantitative parameters such as the distance that a route should maintain from sector boundaries and special use airspace were identified and recommended for inclusion in the automation.

Flight Optimization; Field Trial↗

DOE OSTI2026

Unraveling Defect-Dependent Conductivity-Type Switching in CuFe 2 O 4 for Enhanced Photoelectrocatalytic Reduction of Benzaldehyde

Photoelectrocatalytic (PEC) reduction provides a sustainable route for upgrading biomass-derived feedstocks with reduced energy requirements, yet remains largely unexplored beyond hydrogen evolution and CO 2 reduction due to the scarcity of stable photocathodes. Here, we report a defect-engineered CuFe 2 O 4 photocathode that enables directly quantified PEC reduction of benzaldehyde to benzyl alcohol using a singlecomponent, earth-abundant oxide. By controlling annealing temperature and oxygen partial pressure, CuFe 2 O 4 is systematically tuned from n-type to p-type conductivity. Electrochemical measurements, X-ray and ultraviolet photoelectron spectroscopy, and firstprinciples defect calculations collectively show that oxygen-rich annealing conditions suppress deep donor-type oxygen vacancies while stabilizing shallow acceptor-type copper vacancies, resulting in enhanced hole concentration and improved charge transport. In a mixed acetonitrile/water electrolyte employing 1,4-benzoquinone as a redox mediator, the optimized CuFe 2 O 4 photocathode achieves stable photoelectrochemical operation over 18 h under continuous illumination with a benzyl alcohol production rate of 2.57 μmol/h at −0.50 V vs Ag/AgNO 3 , corresponding to a Faradaic efficiency of 51.3%. This PEC approach lowers the required applied potential by ∼1 V compared to traditional electrocatalytic methods, offering a more energy-efficient route for carbonyl reduction. These findings establish CuFe 2 O 4 as a viable photocathode platform for sustainable photoelectrocatalytic organic transformations under mild reaction conditions.

benzaldehyde reduction↗

DOE OSTI2022

High temperature high strength austenitic steel fabricated by laser powder-bed fusion

Extremely fast cooling rates during laser powder-bed fusion (LPBF) can result in materials with unique microstructures. For LPBF 316L stainless steel, the formation of sub-grain cellular structures with high dislocation density has been linked to superior tensile properties at room temperature. This cellular structure offers also a new route for the development of high temperature LPBF steels with the nucleation of nano-size strengthening carbides in the cell walls. HK30Nb steel (Fe-25Cr-20Ni-Nb-C) was, therefore, fabricated by LPBF to evaluate its potential for high temperature applications. Optimization of the fabrication parameters yielded material with density greater than 99.7%, with nano Nb-rich precipitates in the cell walls. Annealing at 800 °C for 5h resulted in the nucleation and growth of additional precipitates mainly in the cell walls and at grain boundaries. Furthermore, the high dislocation density led to yield strength at 20–900 °C two to three times higher than yield strength for cast HK30Nb and the nano carbides in the cell walls significantly improved the cellular structure stability at 800 °C.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A branch-and-price algorithm for a team orienteering problem with fixed-wing drones

This paper formulates a team orienteering problem with multiple fixed-wing drones and develops a branch-and-price algorithm to solve the problem to optimality. Fixed-wing drones, unlike rotary drones, have kinematic constraints associated with them, thereby preventing them to make on-the-spot turns and restricting them to a minimum turn radius. This paper presents the implications of these constraints on the drone routing problem formulation and proposes a systematic technique to address them in the context of the team orienteering problem. Furthermore, a novel branch-and-price algorithm with branching techniques specific to the constraints imposed due to fixed-wing drones are proposed. Extensive computational experiments on benchmark instances corroborating the effectiveness of the algorithms are also presented.

42 ENGINEERING↗

DOE OSTI2023

Plasma catalytic non-oxidative methane conversion to hydrogen and value-added hydrocarbons on zeolite 13X

Non-thermal plasma has unfolded highly efficient, safe to operate novel routes for methane conversion to hydrogen. In this work, methane conversion is performed under atmospheric dielectric barrier discharge (DBD) plasma with and without 13X zeolite-based catalysts i.e., 13X, Ga/13X, Pd/13X, and Pd-Ga/13X. Experimental results indicate that the plasma catalytic process delivered almost twofold higher product yield than the plasma only route. The binary Pd-Ga catalyst possesses highest catalytic performance with about 40 % CH 4 conversion at an input flowrate of 5 cm 3 min -1 and 2W due to the formation of the Pd-Ga alloy, which acts as catalytic active centre for activating C–H bonds. Product yield can be tailored by the catalyst design where the bimetallic Pd-Ga/13X preferably favours the hydrocarbon formation while H 2 is the dominant product obtained over the Pd/13X. The cleavage of C–H bonds of methane molecule over the plasma only route is mainly governed by energetic electrons in the gaseous phase the catalyst activity, and plasma-catalyst synergism play a significant role in the plasma catalysis process. Further, the findings from this work provide significant insights into the methane activation for subsequent optimization of the methane conversion processes operated on floating production, storage, and offloading vessels (FPSOVs). Exploiting untapped offshore natural gas reserves, where conventional pipeline systems are less economical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Regular sensitivity computation avoiding chaotic effects in particle-in-cell plasma methods

Particle-in-cell (PIC) simulation methods are attractive for representing species distribution functions in plasmas. However, as a model, they introduce uncertain parameters, and for quantifying their prediction uncertainty it is useful to be able to assess the sensitivity of a quantity-of-interest (QoI) to these parameters. Such sensitivity information is likewise useful for optimization. However, computing sensitivity for PIC methods is challenging due to the chaotic particle dynamics, and sensitivity techniques remain underdeveloped compared to those for Eulerian discretizations. This challenge is examined from a dual particle–continuum perspective that motivates a new sensitivity discretization. Two routes to sensitivity computation are presented and compared: a direct fully-Lagrangian particle-exact approach provides sensitivities of each particle trajectory, and a new particle-pdf discretization, which is formulated from a continuum perspective but discretized by particles to take the advantages of the same type of Lagrangian particle description leveraged by PIC methods. Since the sensitivity particles in this approach are only indirectly linked to the plasma-PIC particles, they can be positioned and weighted independently for efficiency and accuracy. The corresponding numerical algorithms are presented here in mathematical detail. The advantage of the particle-pdf approach in avoiding the spurious chaotic sensitivity of the particle-exact approach is demonstrated for Debye shielding and sheath configurations. In essence, the continuum perspective makes implicit the distinctness of the particles, which circumvents the Lyapunov instability of the N -body PIC system. The cost of the particle-pdf approach is comparable to the baseline PIC simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

BCC-Phased PdCu Alloy as a Highly Active Electrocatalyst for Hydrogen Oxidation in Alkaline Electrolytes

We report that anion-exchange membrane fuel cells hold promise to greatly reduce cost by employing nonprecious metal cathode catalysts. More efficient anode catalysts are needed, however, to improve the sluggish hydrogen oxidation reaction in alkaline electrolytes. We report that BCC-phased PdCu alloy nanoparticles, synthesized via a wet-chemistry method with a critical thermal treatment, exhibit up to 20-fold HOR improvement in both mass and specific activities, compared with the FCC-phased PdCu counterparts. HOR activity of the BCC-phased PdCu is 4 times or 2 times that of Pd/C or Pt/C, respectively, in the same alkaline electrolyte. In situ HE-XRD measurements reveal that the transformation of PdCu crystalline structure favors, at low annealing temperature (<300 °C), the formation of FCC structure. At higher annealing temperatures (300–500 °C), a BCC structure dominates the PdCu NPs. Density functional theory (DFT) computations unravel a similar H binding strength and a much stronger OH binding of the PdCu BCC surface (cf. FCC surface), both of which are simultaneously close to those of Pt surfaces. The synergistic optimization of both H and OH binding strengths is responsible for the enhancement of HOR activity on BCC-phased PdCu, which could serve as an efficient anode catalyst for anion-exchange membrane fuel cells. Lastly, this work might open a new route to develop efficient HOR catalysts from the perspective of crystalline structure transformation.

36 MATERIALS SCIENCE↗

NASA NTRS1975

Improved resource use decisions and actions through remote sensing

Operational uses of remote sensing for improving management decisions and actions concerning resource uses are considered in terms of first generation, or direct-action; and second generation or indirect, delayed-action applications. From among applications completed during 1974-75, seven case studies are offered in illustration of the many contrasts which can be drawn between first and second generation application studies. These include: (1) multi-agency river basin planning; (2) corridor assessment and route location for highway location together with improvement of county-level planning decisions; (3) improving timber management practices; (4) enforcement of new state statutes; (5) county-wide open space preservation; (6) land value reappraisal relative to property tax equalization; and (7) optimizing agri-business processing plant locations.

Hill-Rowley, R.↗

NASA NTRS2013

Spiraling Away from Vesta: Design of the Transfer from the Low to High Altitude Dawn Mapping Orbits

Dawn has successfully completed its orbital mission at Vesta and is currently en route to an orbital rendezvous with Ceres in 2015. The longest duration and most complex portion of the Vesta departure trajectory was the transfer from the low to high altitude science orbit. This paper describes the design of this low-thrust trajectory optimized assuming a minimum-propellant mass objective. The transfer utilized solar-electric ion propulsion applied over 139 spacecraft revolutions about Vesta. Science drivers, operational constraints, and robustness to statistical uncertainties are addressed. The 45-day transfer trajectory was successfully implemented in early 2012.

low thrust↗