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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Transmission expansion with smart switching under demand uncertainty and line failures

One of the major challenges in deciding where to build new transmission lines is that there is uncertainty regarding future loads, renewal generation output and equipment failures. We propose a robust optimization model whose transmission expansion solutions ensure that demand can be met over a wide range of conditions. Specifically, we require feasible operation for all loads and renewable generation levels within given ranges, and for all single transmission line failures. Furthermore, we consider transmission switching as an allowable recovery action. This relatively inexpensive method of redirecting power flows improves resiliency, but introduces computational challenges. Lastly, we present a novel algorithm to solve this model. Computational results are discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Redox dynamics of manganese as a mitochondrial life-death switch

Sten Orrenius, M.D., Ph.D., pioneered many areas of cellular and molecular toxicology and made seminal contributions to our knowledge of oxidative stress and glutathione (GSH) metabolism, organellar functions and Ca{sup +2}-dependent mechanisms of cell death, and mechanisms of apoptosis. On the occasion of his 80{sup th} birthday, we summarize current knowledge on redox biology of manganese (Mn) and its role in mechanisms of cell death. Mn is found in all organisms and has critical roles in cell survival and death mechanisms by regulating Mn-containing enzymes such as manganese superoxide dismutase (SOD2) or affecting expression and activity of caspases. Occupational exposures to Mn cause “manganism”, a Parkinson's disease-like condition of neurotoxicity, and experimental studies show that Mn exposure leads to accumulation of Mn in the brain, especially in mitochondria, and neuronal cell death occurs with features of an apoptotic mechanism. Interesting questions are why a ubiquitous metal that is essential for mitochondrial function would accumulate to excessive levels, cause increased H{sub 2}O{sub 2} production and lead to cell death. Is this due to the interactions of Mn with other essential metals, such as iron, or with toxic metals, such as cadmium? Why is the Mn loading in the human brain so variable, and why is there such a narrow window between dietary adequacy and toxicity? Are non-neuronal tissues similarly vulnerable to insufficiency and excess, yet not characterized? We conclude that Mn is an important component of the redox interface between an organism and its environment and warrants detailed studies to understand the role of Mn as a mitochondrial life-death switch. - Highlights: • Either insufficient or excess manganese activates mitochondria-mediated cell death. • The optimal healthy Mn exposure window is very narrow. • Mitochondrial H{sub 2}O{sub 2} production depends on Mn across physiologic to toxicologic range. • Integrative omics needed to understand complex Mn interaction in cell fate. • Mn is central to redox interface between an organism and its environment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Comparative assessment of new oxygen carrier materials for gas switching reforming of natural gas: Techno-economics assessment, life cycle analysis, and experimental insights

The increasing demand for hydrogen and the CO 2 intensity of natural gas (NG) reforming motivate the development of low-carbon-emission hydrogen production technologies. Gas Switching Reforming (GSR) with integrated CO 2 capture, a technology based on Chemical Looping Reforming (CLR), has been experimentally proven and shows potential for scale-up. In this study, select oxygen carriers (OC) (NiO/Al 2 O 3 , Fe 2 O 3 -CeO 2 /Al 2 O 3 , and magnetite) were tested in methane steam reforming in a fixed bed reactor to determine their relative reactivities under relevant conditions for GSR (800 °C, 7 bar total pressure). Process models were then developed to perform techno-economic analysis (TEA) of GSR for hydrogen production (GSR-H 2 ) and a combined cycle (GSR-CC) in which high-purity H 2 is fired in a gas turbine to produce electricity. Operating at 10 bar and 1100 °C and with the additional recovery steps implemented increased H 2 production by ∼ 30% and improved efficiency relative to prior studies. For GSR-H 2 , the levelized cost of hydrogen (LCOH) is 1.61–1.64 $/kg-H 2 , competitive with a reference SMR case, though operating and maintenance costs are higher due to increased electricity demand. GSR-CC has a significantly higher levelized cost of electricity (LCOE) than its reference NGCC (natural gas combined cycle) plant, suggesting it is less competitive; however, increasing production scale could make it more attractive. Life-cycle results for GSR-H 2 indicate NG consumption drives ∼ 75% of total global warming impacts (∼2.3 kg CO 2 eq/kg H 2 ). An environmental, health, and safety screening suggests iron-based carriers are comparatively safer, whereas NiO may pose greater risks. Overall, GSR-H 2 is a scalable, competitive option for hydrogen production using nickel and non-nickel OC.

03 NATURAL GAS↗
DOE OSTI2025

Life cycle assessment of a novel gas switching reforming for sustainable hydrogen production with CO2 capture

Gas switching reforming for hydrogen production (GSR-H2) presents an efficient, low-carbon hydrogen production method that incorporates integrated carbon capture, offering efficiency gains over traditional methods such as proton exchange membrane (PEM) electrolysis, steam methane reforming (SMR) and the newer method of chemical looping reforming (CLR). GSR-H2 has been demonstrated in lab scale which operates as an exothermic process that eliminates the need for additional natural gas combustion, using its own waste heat to generate process steam and partially offset energy usage through electricity production. Beyond its thermal self-sufficiency, GSR-H2 advances upon CLR by integrating all reaction stages within a single reactor cluster, eliminating the complexities of solid circulation, reducing capital costs, and enhancing overall process efficiency. This streamlined design simplifies scale-up and enables inherent CO2 separation with minimal energy penalty, making GSR-H2 a highly competitive pathway for low-carbon hydrogen production. This study presents the first life cycle assessment (LCA) of GSR-H2, offering a novel evaluation of this new process’s environmental impacts across diverse energy scenarios. Key findings reveal that in the renewables-powered scenario, GSR-H2 achieves a GWP of 2.77 kg CO2 eq per kg H2, a substantial improvement over SMR’s 10.4 kg CO2 eq and close to the low emissions of CLR (1.84 kg CO2 eq) and PEM electrolysis (1.85 kg CO2 eq). These results demonstrate GSR-H2’s competitive advantage as a lower-emission alternative, combining design simplicity and efficiency gains, especially in renewable-integrated systems. These results establish GSR-H2 as a competitive, scalable option for hydrogen production, particularly in decarbonization efforts.

03 NATURAL GAS↗
DOE OSTI2016

A convex penalty for switching control of partial differential equations

A convex penalty for promoting switching controls for partial differential equations is introduced; such controls consist of an arbitrary number of components of which at most one should be simultaneously active. Using a Moreau–Yosida approximation, a family of approximating problems is obtained that is amenable to solution by a semismooth Newton method. In conclusion, the efficiency of this approach and the structure of the obtained controls are demonstrated by numerical examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Data-based and secure switched cyber–physical systems

In this work, we develop a completely model-free moving target defense framework for the detection and mitigation of sensor and/or actuator attacks in cyber–physical systems with dynamics that evolve in discrete-time. We incorporate an intrusion detection mechanism based on an approximate dynamic programming technique that learns the policies for optimal regulation and optimal tracking while simultaneously defending against actuator and sensor attacks in a model-free fashion. Switching rules are leveraged to force proactive and reactive defense mechanisms as well as, guarantee the stability of the equilibrium point. Finally, as a case study, we apply the proposed moving target defense framework to a DC–DC converter that is used in electric vehicles.

42 ENGINEERING↗
DOE OSTI2019

Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching

Single-crystal optical actuators are emerging as a prospective material form for nano-optical mechanical switching, sensing, or transduction device applications in nano-technology and quantum technology. Crystal-lattice strain effects lie at the molecular origins of their macroscopic optical behavior, and linkage photoisomerization is an attractive source of optical actuation if only suitably functioning materials of this ilk could be found. In this work, we discover η 1 -SO 2 to η 1 -OSO single-crystal linkage photoisomerization in [Ru(NH 3 ) 4 (SO 2 )(3-phenylpyridine)]Cl 2 ·H 2 O, which behaves macroscopically as a single-crystal optical actuator, whereby the crystal peels in response to light-induction at 100 K. It thermally recovers, whereupon the crystal exhibits remarkable restorative properties. We apply photocrystallography alongside concerted optical microscopy and optical absorption spectroscopy to reveal how the molecular origins of photoisomerization induce crystal-lattice strain that engenders this macroscopic crystal peeling effect. Finally, linking structure and function across molecular and macroscopic length scales showcases a means by which single-crystal optically actuating materials could be systematically designed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies

An atomistic understanding of the photoinduced spin-state switching (PSS) within polynuclear systems of d 4 –d 7 transition metal ion complexes is required for their rational integration into light-driven reactions of chemical and biological interest. However, in contrast to mononuclear systems, the multidimensional dynamics of the PSS in solvated molecular arrays have not yet been elucidated due to the expected complications associated with the connectivity between the metal centers and the strong interactions with the surroundings. Herein, the PSS in a solvated triiron(II) metallogrid complex is characterized using transient optical absorption and X-ray emission spectroscopies on the femtosecond time scale. The complementary measurements reveal the photoinduced creation of energy-rich (hot) and long-lived quintet states, whose dynamics differ critically from their mononuclear congeners. We report this finding opens major prospects for developing novel schemes in solution-phase spin chemistry that are driven by the dynamic PSS process in compact oligometallic arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Ferroelectric Switching in Hybrid Molecular-Beam-Epitaxy-Grown BaTiO 3 Films

Molecular beam epitaxy (MBE) is a promising synthesis technique for both heterostructure growth and epitaxial integration of ferroelectric BaTiO 3 . However, direct measurement of the remnant polarization (P r ) has not been previously reported in MBE-grown BaTiO 3 films. We report the in situ growth of an all-epitaxial SrRuO 3 /BaTiO 3 /SrRuO 3 heterostructure on Nb-doped SrTiO 3 (001) substrates by hybrid MBE using metal–organic precursors. This capacitor structure consisting of 16 nm SrRuO 3 /40 nm BaTiO 3 /16 nm SrRuO 3 shows hysteretic polarization–electric field (P–E) curves with P r ∼ 15 μC cm –2 at frequencies ranging from 500 Hz to 20 kHz, after isolating the intrinsic ferroelectric response from non-ferroelectric contributions using the Positive-Up-Negative-Down (PUND) method. We hypothesize that the asymmetry in switching behavior and current leakage has origins in structural defects. Furthermore, this work opens the door to defect-engineered ferroelectric BaTiO 3 -based heterostructures grown by hybrid MBE for future electronic, photonic and spintronic applications.

SrRuO3 electrode↗
DOE OSTI2025

Resistive Switching of Spinel Li 4 Ti 5 O 12 Lithium-Ion Battery Material for Neuromorphic Computing

The rapid rise of AI has exposed significant limitations in conventional Von Neumann computing architecture, particularly in regard to speed and energy efficiency. To address these challenges, researchers are exploring a brain-inspired neuromorphic architecture that mimics biological neural networks, enabling massive parallel processing with reduced power consumption for complex AI computational demands. Recent interest has focused on utilizing battery electrodes and solid electrolyte materials for their resistive switching properties in developing a neuromorphic architecture. These properties are precisely tuned through local- and bulk-level chemical composition modifications via voltage bias stimuli. In this study, we demonstrate fabricating a three-terminal lithium-ion electrochemical transistor based on lithium titanium oxide (Li 4 Ti 5 O 12 ), a popular lithium-ion battery anode material. We deposited and characterized LTO thin films using RF sputtering, demonstrating a 6 orders of magnitude increase in electronic conductivity upon lithiation, with conductivity plateauing after 20% lithiation. Density functional theory calculations revealed transformation from the insulating to conducting state, supported by experimental characterization through X-Ray Photoelectron Spectroscopy (XPS) and Direct Current (DC) polarization analyses. The fabricated transistor consisted of LTO as the channel layer, gold as source/drain terminals, lithium phosphorus oxynitride (LiPON) as the lithium-ion conductor, and copper as the gate terminal. The device exhibited clear hysteresis in transfer characteristics due to lithium insertion/extraction processes. Long-term potentiation (LTP) and long-term depression (LTD) measurements showed an asymmetric ratio of 1.425 and maximum/minimum conductance ratio of 7.83. When implemented in a deep neural network (DNN) for MNIST handwritten digit recognition, the device achieved 92.03% accuracy over 20 training epochs. Detailed transport mechanism analysis revealed the crucial role of oxygen vacancies and interface effects in device operation. Our preliminary findings establish LTO-based lithium-ion electrochemical transistors as promising candidates for energy-efficient neuromorphic computing applications, offering potential solutions to traditional Von Neumann architecture limitations.

25 ENERGY STORAGE↗
DOE OSTI2020

Exchange of Ions across the TiN/TaO x Interface during Electroformation of TaO x -Based Resistive Switching Devices

The valence change model describes the resistive switching in metal oxide-based devices as due to electroreduction of the oxide and subsequent electromigration of oxygen vacancies. Here, we present cross-sectional X-ray energy-dispersive spectroscopy elemental maps of Ta, O, N, and Ti in electroformed TiN/TaO 2.0 /TiN structures. O, N, and Ti were exchanged between the anode and the functional oxide in devices formed at high power (~1 mW), but the exchange was below the detection limit at low power (<0.5 mW). All structures exhibit a similar Ta-enriched and O-depleted filament formed by the elemental segregation in the functional oxide by the temperature gradient. The elemental interchange is interpreted as due to Fick’s diffusion caused by high temperatures in the gap of the filament and is not an essential part of electroformation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

On-Surface Single-Molecule Identification of Mass-Selected Cyclodextrin-Supported Polyoxovanadates for Multistate Resistive-Switching Memory Applications

Polyoxovanadate anions immobilized on conducting substrates are promising candidates for molecule-based memory technologies. However, strong electronic interactions with the substrate and the formation of larger agglomerates remain bottlenecks on the way to their technical application. We demonstrate that ion soft-landing of mass selected cyclodextrin- functionalized hexavanadates enables to deposit these host-guest complexes as single memory units on surfaces without their quaternary ammonium countercations from solution. The cyclodextrin provides a stabilizing “shell” for the dianions. Further, multistate switching evidenced by the change in molecular resistance has been detected using scanning tunneling microscopy and spectroscopy and attributed to reduction of individual vanadium (+V) centers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Transforming Boron Carbon Nitride: A Carbon-to-Oxygen Switch to Boost Propane Oxidative Dehydrogenation

Hexagonal boron nitride (h-BN) catalysts exhibit high alkene selectivity in the oxidative dehydrogenation of propane (ODHP). Nevertheless, the conversion-selectivity trade-off persisted primarily due to the low density of oxygen-containing boron active species, while simple and controllable modification strategies for h-BN still face challenges. Herein, we developed an in situ carbon-to-oxygen switch strategy within a tailored boron carbon nitride (BCN) framework, in which uniformly embedded B–C 3 were transformed into B–O 3 via oxidative treatment (denoted as BNO x ). The structural evolution from B–C 3 to B–O 3 was well characterized by spectroscopy and soft X-ray absorption techniques. The resulting BNO x catalysts, enriched with B–O 3 units, demonstrated performance in ODHP, achieving a propane conversion of 50.4% with 32.7% olefin yield at 500 °C. Density functional theory (DFT) calculations confirmed that B–O 3 species preferentially lower activation barriers, rendering the process thermodynamically more favorable. In conclusion, this work introduced an in situ reconstruction method for atomic-level heteroatom-engineered h-BN catalysts, opening an avenue for advanced catalyst design across energy conversion systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Real-Time Corrective Switching in Response to Simultaneous Contingencies

The standard optimal power flow (OPF) problem is an economic dispatch (ED) problem combined with transmission constraints, which are based on a static topology. Prior research has demonstrated that cooptimization of generation dispatch and transmission topology results in cost savings. However, the computational complexity associated with topology control (TC) has been a major deterrent to its implementation. The proposed work investigates the application of a heuristic, a greedy algorithm, to improve the computational time for the TC problem while still maintaining the ability to find quality solutions. An expression is derived, which indicates the impact on the objective for a marginal change in the state of a transmission line. This expression is used to generate a priority list with potential candidate lines for switching, which may provide huge improvements to the system. The advantage of this method is that it is a fast heuristic as compared to using mixed integer programming (MIP) to find a solution. The heuristic is tested on real-time applications such as N-1 events, N - m events (m simultaneous contingencies), and cascading events. The proposed algorithm specifically targets cases that lead to load shedding in the system and provides a quick and efficient method to restore the loads by improving the deliverability of reserves via TC. Simulation results on the IEEE 73 bus test system and the IEEE 118 bus test system suggest a significant improvement in the amount of load served to the system with TC as opposed to without TC with minimal time and computation.

Electric power systems↗
DOE OSTI2015

Solitary pulse-on-demand production by optical injection locking of passively Q-switched InGaN diode laser near lasing threshold

In this letter, we investigate the behavior of a Q-switched InGaN multi-section laser diode (MSLD) under optical injection from a continuous wave external cavity diode laser. We obtain solitary optical pulse generation when the slave MSLD is driven near free running threshold, and the peak output power is significantly enhanced with respect to free running configuration. When the slave laser is driven well above threshold, optical injection reduces the peak power. Using standard semiconductor laser rate equation model, we find that both power enhancement and suppression effects are the result of partial bleaching of the saturable absorber by externally injected photons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The ensemble switch method for computing interfacial tensions

We present a systematic thermodynamic integration approach to compute interfacial tensions for solid-liquid interfaces, which is based on the ensemble switch method. Applying Monte Carlo simulations and finite-size scaling techniques, we obtain results for hard spheres, which are in agreement with previous computations. The case of solid-liquid interfaces in a variant of the effective Asakura-Oosawa model and of liquid-vapor interfaces in the Lennard-Jones model are discussed as well. We demonstrate that a thorough finite-size analysis of the simulation data is required to obtain precise results for the interfacial tension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A Q-switched Ho:YAG laser assisted nanosecond time-resolved T-jump transient mid-IR absorbance spectroscopy with high sensitivity

Knowledge of dynamical structure of protein is an important clue to understand its biological function in vivo. Temperature-jump (T-jump) time-resolved transient mid-IR absorbance spectroscopy is a powerful tool in elucidating the protein dynamical structures and the folding/unfolding kinetics of proteins in solution. A home-built setup of T-jump time-resolved transient mid-IR absorbance spectroscopy with high sensitivity is developed, which is composed of a Q-switched Cr, Tm, Ho:YAG laser with an output wavelength at 2.09 μm as the T-jump heating source, and a continuous working CO laser tunable from 1580 to 1980 cm{sup −1} as the IR probe. The results demonstrate that this system has a sensitivity of 1 × 10{sup −4} ΔOD for a single wavelength detection, and 2 × 10{sup −4} ΔOD for spectral detection in amide I′ region, as well as a temporal resolution of 20 ns. Moreover, the data quality coming from the CO laser is comparable to the one using the commercial quantum cascade laser.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Single-pulse picking at kHz repetition rates using a Ge plasma switch at the free-electron laser FELBE

We demonstrate a system for picking of mid-infrared and terahertz (THz) radiation pulses from the free-electron laser (FEL) FELBE operating at a repetition rate of 13 MHz. Single pulses are reflected by a dense electron-hole plasma in a Ge slab that is photoexcited by amplified near-infrared (NIR) laser systems operating at repetition rates of 1 kHz and 100 kHz, respectively. The peak intensity of picked pulses is up to 400 times larger than the peak intensity of residual pulses. The required NIR fluence for picking pulses at wavelengths in the range from 5 μm to 30 μm is discussed. In addition, we show that the reflectivity of the plasma decays on a time scale from 100 ps to 1 ns dependent on the wavelengths of the FEL and the NIR laser. The plasma switch enables experiments with the FEL that require high peak power but lower average power. Furthermore, the system is well suited to investigate processes with decay times in the μs to ms regime, i.e., much longer than the 77 ns long pulse repetition period of FELBE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗