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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Generation of megatesla magnetic fields by intense-laser-driven microtube implosions

A microtube implosion driven by ultraintense laser pulses is used to produce ultrahigh magnetic fields. Due to the laser-produced hot electrons with energies of mega-electron volts, cold ions in the inner wall surface implode towards the central axis. By pre-seeding uniform magnetic fields on the kilotesla order, the Lorenz force induces the Larmor gyromotion of the imploding ions and electrons. Due to the resultant collective motion of relativistic charged particles around the central axis, strong spin current densities of ~ peta-ampere/cm 2 are produced with a few tens of nm size, generating megatesla-order magnetic fields. The underlying physics and important scaling are revealed by particle simulations and a simple analytical model. The concept holds promise to open new frontiers in many branches of fundamental physics and applications in terms of ultrahigh magnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

X-ray free electron laser heating of water and gold at high static pressure

Probing of reactive materials such as H 2 O ices and fluids at the high pressures and temperatures of planetary interiors is limited by unwanted chemical reactions and confinement failure. Faster experiments can mitigate such issues, but the common approach of adiabatic compression limits the conditions achieved. This study demonstrates a fast experimental strategy for the creation and probing of selected extreme states using static compression coupled with ultrafast X-ray laser heating. Indirect X-ray heating of H 2 O through the use of a gold absorber is evidenced by sample melting inferred from textural changes in the H 2 O diffraction lines and inter-dispersion of gold and H 2 O melts. Coupled with numerical analysis of femtosecond energy absorption, thermal equilibration, and heat transfer, all evidence indicates that temperatures in excess of an electron volt have been reached in the H 2 O at high pressure. Even after repeated heating, samples stayed chemically unchanged from the starting material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Unconventional magnetisation texture in graphene/cobalt hybrids

Magnetic domain structure and spin-dependent reflectivity measurements on cobalt thin films intercalated at the graphene/Ir(111) interface are investigated using spin-polarised low-energy electron microscopy. We find that graphene-covered cobalt films have surprising magnetic properties. Vectorial imaging of magnetic domains reveals an unusually gradual thickness-dependent spin reorientation transition, in which magnetisation rotates from out-of-the-film plane to the in-plane direction by less than 10° per cobalt monolayer. During this transition, cobalt films have a meandering spin texture, characterised by a complex, three-dimensional, wavy magnetisation pattern. In addition, spectroscopy measurements suggest that the electronic band structure of the unoccupied states is essentially spin-independent already a few electron-Volts above the vacuum level. These properties strikingly differ from those of pristine cobalt films and could open new prospects in surface magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Structure and dynamics of water on the forsterite surface

The behavior of water on mineral surfaces is the key to understanding interfacial and chemical reaction processes. Olivine is one of the major rock-forming minerals and its interaction with water is a ubiquitous phenomenon both on Earth's surface and in the subsurface. This work presents a combined study using molecular dynamics (MD) simulations and quasi-elastic neutron scattering (QENS) experiments conducted using three different instruments to study the structure and dynamics of water on the forsterite (Mg-end member of olivine) surface at 270 K. A combination of three different QENS instruments probes dynamical processes occurring across a broad range of time scales (~1 ps to ~1 ns in this study). The water structure on the hydroxylated surface is composed of three distinct water layers, transitioning from well-ordered and nearly immobile closest to the surface to a less structured layer. Here, the energies of three motions (including translation and rotation) derived from simulations agree well with the experiments, covering the energy range from a few to hundreds of micro electron volts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Boosting alkaline hydrogen evolution: the dominating role of interior modification in surface electrocatalysis

The alkaline hydrogen evolution reaction (A-HER) holds great promise for clean hydrogen fuel generation but its practical utilization is severely hindered by the sluggish kinetics for water dissociation in alkaline solutions. Traditional ways to improve the electrochemical kinetics for A-HER catalysts have been focusing on surface modification, which still can not meet the demanding requirements for practical water electrolysis because of catalyst surface deactivation. In this work, we report an interior modification strategy to significantly boost the A-HER performance. Specifically, a trace amount of Pt was doped in the interior Co 2 P (Pt–Co 2 P) to introduce a stronger dopant–host interaction than that of the surface-modified catalyst. Consequently, the local chemical state and electronic structure of the catalysts were adjusted to improve the electron mobility and reduce the energy barriers for hydrogen adsorption and H–H bond formation. As a proof-of-concept, the interior-modified Pt–Co 2 P shows a reduced onset potential at near-zero volts for the A-HER, low overpotentials of 2 mV and 58 mV to achieve 10 and 100 mA cm –2 , and excellent durability for long-term utilization. The interior-modified Pt–Co 2 P delivers superior A-HER performance to Pt/C and other state-of-the-art electrocatalysts. This work will open a new avenue for A-HER catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ultrafast structural dynamics of UV photoexcited cis , cis -1,3-cyclooctadiene observed with time-resolved electron diffraction

Conjugated diene molecules are highly reactive upon photoexcitation and can relax through multiple reaction channels that depend on the position of the double bonds and the degree of molecular rigidity. Understanding the photoinduced dynamics of these molecules is crucial for establishing general rules governing the relaxation and product formation. Here, in this study, we investigate the femtosecond time-resolved photoinduced excited-state structural dynamics of cis,cis-1,3-cyclooctadiene, a large-flexible cyclic conjugated diene molecule, upon excitation with 200 nm using mega-electron-volt ultrafast electron diffraction and trajectory surface hopping dynamics simulations. We tracked the photoinduced structural changes from the Franck–Condon region through the conical intersection seam to the ground state. Our findings revealed a novel primary reaction coordinate involving ring distortion, where the ring stretches along one axis and compresses along the perpendicular axis. The nuclear wavepacket remains compact along this reaction coordinate until it reaches the conical intersection seam, and it rapidly spreads as it approaches the ground state, where multiple products are formed.

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

The influence of protein electrostatics on potential inversion in flavoproteins

Biology uses relatively few electron-transfer cofactors, tuning their potentials, electronic couplings, and reorganization energies to carry out the required chemistry. It is remarkable that the potential ordering of two-electron transfer active flavins can be normal (first oxidation at low potential and second oxidation at high potential) or inverted, and the gap between the potentials can be as large as one volt. Analysis based on structural bioinformatics and electrostatics indicates that the ordering of the flavin redox potential is influenced by protein electrostatics. In all 36 flavoproteins examined, the introduction of a negative charge near the flavin in silico increases the extent of potential inversion (by lowering the electrochemical potential of the second electron-transfer step); the introduction of a positive charge near the flavin favors normally ordered potentials. We also find that the addition of positive charges increases the electrochemical potential for the naturally occurring one-electron transition in flavodoxins (between deprotonated hydroquinone and neutral semiquinone) and also increases the second one-electron transition in bifurcating flavins (between anionic semiquinone and fully oxidized flavin). Finally, we find that proximity of a proton acceptor, notably conserved arginine, supports proton-coupled electron transfer because it may act as a proton acceptor, promoting potential inversion. This key arginine residue may enable two-electron transfer chemistry by promoting the proton-coupled electron transfer process over the pure electron transfer process, suggesting how a protein's flavin environment may influence one- or two-electron chemistry in flavoproteins.

Singh, Niven [Duke Univ., Durham, NC (United State↗
DOE OSTI2015

Reactive power planning under high penetration of wind energy using Benders decomposition

This study addresses the optimal allocation of reactive power volt-ampere reactive (VAR) sources under the paradigm of high penetration of wind energy. Reactive power planning (RPP) in this particular condition involves a high level of uncertainty because of wind power characteristic. To properly model wind generation uncertainty, a multi-scenario framework optimal power flow that considers the voltage stability constraint under the worst wind scenario and transmission N 1 contingency is developed. The objective of RPP in this study is to minimise the total cost including the VAR investment cost and the expected generation cost. Therefore RPP under this condition is modelled as a two-stage stochastic programming problem to optimise the VAR location and size in one stage, then to minimise the fuel cost in the other stage, and eventually, to find the global optimal RPP results iteratively. Benders decomposition is used to solve this model with an upper level problem (master problem) for VAR allocation optimisation and a lower problem (sub-problem) for generation cost minimisation. Impact of the potential reactive power support from doubly-fed induction generator (DFIG) is also analysed. Lastly, case studies on the IEEE 14-bus and 118-bus systems are provided to verify the proposed method.

17 WIND ENERGY↗
DOE OSTI2025

Improving photovoltaic hosting capacity of distribution networks with coordinated inverter control: A case study of the EPRI J1 feeder

Abstract Adding photovoltaic (PV) systems in distribution networks, while desirable for reducing the carbon footprint, can lead to voltage violations under high solar‐low load conditions. The inability of traditional volt‐VAr control in eliminating all the violations is also well‐known. This article presents a novel coordinated inverter control methodology that leverages system‐wide situational awareness to significantly improve hosting capacity (HC). The methodology employs a real‐time voltage‐reactive power (VQ) sensitivity matrix in an iterative linear optimizer to calculate the minimum reactive power intervention from PV inverters needed for mitigating over‐voltage without resorting to active power curtailing or requiring step voltage regulator setting changes. The algorithm is validated using the EPRI J1 feeder under an extensive set of realistic use cases and is shown to provide 3x improvement in HC under all scenarios.

Dalal, Dhaval [School of Electrical, Computer, and↗
DOE OSTI2013

Adhesion strength of sputtered TiAlN-coated WC insert tool

The adhesion strength of TiAlN coating that deposited by using DC magnetron sputtering on WC insert tool are studied. TiAlN coating are deposited on Tungsten Carbide (WC) insert tool by varying negatively substrate bias from 79 to 221 volt and nitrogen flow rate from 30 to 72 sccm. The adhesion strength are obtained by using Rockwell indentation test method with a Brale diamond at applied load of 60,100 and 150 kgf. The lateral diameter of indentation is plotted on three different applied loads and the adhesion strength of TiAlN coating was obtained from the curved slopes at 100 and 150 kgf. The lower curve slop indicated better adhesion strength. The results shows that the adhesion strength of sputterred TiAlN coating tend to increase as the negatively substrate bias and nitrogen flow rate are increased.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Direct numerical simulation of electrokinetic instability and transition to chaotic motion

A new type of instability—electrokinetic instability—and an unusual transition to chaotic motion near a charge-selective surface (semiselective electric membrane, electrode, or system of micro-/nanochannels) was studied by the numerical integration of the Nernst-Planck-Poisson-Stokes system and a weakly nonlinear analysis near the threshold of instability. A special finite-difference method was used for the space discretization along with a semi-implicit 31/3 -step Runge-Kutta scheme for the integration in time. Two kinds of initial conditions were considered: (a) white-noise initial conditions to mimic “room disturbances” and subsequent natural evolution of the solution, and (b) an artificial monochromatic ion distribution with a fixed wave number to simulate regular wave patterns. The results were studied from the viewpoint of hydrodynamic stability and bifurcation theory. The threshold of electroconvective movement was found by the linear spectral stability theory, the results of which were confirmed by numerical simulation of the entire system. Our weakly nonlinear analysis and numerical integration of the entire system predict possibility of both kinds of bifurcations at the critical point, supercritical and subcritical, depending on the system parameters. The following regimes, which replace each other as the potential drop between the selective surfaces increases, were obtained: one-dimensional steady solution, two-dimensional steady electroconvective vortices (stationary point in a proper phase space), unsteady vortices aperiodically changing their parameters (homoclinic contour), periodic motion (limit cycle), and chaotic motion. The transition to chaotic motion does not include Hopf bifurcation. The numerical resolution of the thin concentration polarization layer showed spike-like charge profiles along the surface, which could be, depending on the regime, either steady or aperiodically coalescent. The numerical investigation confirmed the experimentally observed absence of regular (near-sinusoidal) oscillations for the overlimiting regimes. There is a qualitative agreement of the experimental and the theoretical values of the threshold of instability, the dominant size of the observed coherent structures, and the experimental and theoretical volt–current characteristics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

High voltage stability performance of a gamma ray detection device

An industrial grade digital radiation survey meter device is currently being developed at Malaysian Nuclear Agency. This device used a cylindrical type Geiger Mueller (GM) which acts as a detector. GM detector operates at relatively high direct current voltages depend on the type of GM tube. This thin/thick walled cylindrical type of GM tube operates at 450-650 volts range. Proper value and stability performance of high voltage are important parameters to ensure that this device give a reliable radiation dose measurement. This paper will present an assessment of the stability and performance of the high voltage supply for radiation detector. The assessment is performed using System Identification tools box in MATLAB and mathematical statistics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Fixation of chiral smectic liquid crystal (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate using UV curing techniques

Chiral Smectic Liquid Crystal (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate has been synthesized using method of steglich esterification at room temperature. The mesomorphic behavior of chiral smectic at 55°C that showed schlieren texture in POM analysis. Fixation of structure chiral smectic liquid crystal by means of photopolymerization of monomer (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate under UV irradiation which called UV curing techniques. The curing process using UV 3 lamps 100 volt at 60°C for an hour. The product of photopolymerization could be seen by analysis of FTIR spectra both monomer and polymer. FTIR spectra of monomer, two peaks for ester carbonyl and C-C double bond groups appeared at 1729.09 cm-1and 3123.46 cm{sup −1}. After UV curing process, peak for the carbonyl group at 1729.09 cm{sup −1} decreased and a new peak at 1160.21 cm{sup −1} appeared due to the carbonyl group attached to a C-C bond group and then peak at 3123.46 cm{sup −1} for C-C double bond group was disappeared.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Charging of moving surfaces by corona discharges sustained in air

Atmospheric pressure corona discharges are used in electrophotographic (EP) printing technologies for charging imaging surfaces such as photoconductors. A typical corona discharge consists of a wire (or wire array) biased with a few hundred volts of dc plus a few kV of ac voltage. An electric discharge is produced around the corona wire from which electrons drift towards and charge the underlying dielectric surface. The surface charging reduces the voltage drop across the gap between the corona wire and the dielectric surface, which then terminates the discharge, as in a dielectric barrier discharge. In printing applications, this underlying surface is continuously moving throughout the charging process. For example, previously charged surfaces, which had reduced the local electric field and terminated the local discharge, are translated out of the field of view and are replaced with uncharged surface. The uncharged surface produces a rebound in the electric field in the vicinity of the corona wire which in turn results in re-ignition of the discharge. The discharge, so reignited, is then asymmetric. We found that in the idealized corona charging system we investigated, a negatively dc biased corona blade with a dielectric covered ground electrode, the discharge is initially sustained by electron impact ionization from the bulk plasma and then dominated by ionization from sheath accelerated secondary electrons. Depending on the speed of the underlying surface, the periodic re-ignition of the discharge can produce an oscillatory charging pattern on the moving surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Improvement of graphene field-effect transistors by hexamethyldisilazane surface treatment

We report the improvement of the electrical characteristics of graphene field-effect transistors (FETs) by hexamethyldisilazane (HMDS) treatment. Both electron and hole field-effect mobilities are increased by 1.5 × –2×, accompanied by effective residual carrier concentration reduction. Dirac point also moves closer to zero Volt. Time evolution of mobility data shows that mobility improvement saturates after a few hours of HMDS treatment. Temperature-dependent transport measurements show small mobility variation between 77 K and room temperature (295 K) before HMDS application. But mobility at 77 K is almost 2 times higher than mobility at 295 K after HMDS application, indicating reduced carrier scattering. Performance improvement is also observed for FETs made on hydrophobic substrate–an HMDS-graphene-HMDS sandwich structure. Raman spectroscopic analysis shows that G peak width is increased, G peak position is down shifted, and intensity ratio between 2D and G peaks is increased after HMDS application. We attribute the improvements in electronic transport mainly to enhanced screening and mitigation of adsorbed impurities from graphene surface upon HMDS treatment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Graphene field emission devices

Graphene field emission devices are fabricated using a scalable process. The field enhancement factors, determined from the Fowler-Nordheim plots, are within few hundreds and match the theoretical predictions. The devices show high emission current density of ∼10 nA μm{sup −1} at modest voltages of tens of volts. The emission is stable with time and repeatable over long term, whereas the noise in the emission current is comparable to that from individual carbon nanotubes emitting under similar conditions. We demonstrate a power law dependence of emission current on pressure which can be utilized for sensing. The excellent characteristics and relative ease of making the devices promise their great potential for sensing and electronic applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Electrocaloric effect of metal-insulator transition in VO{sub 2}

The electrocaloric effect was observed in association with an electric-field induced metal-insulator transition in VO{sub 2} using a calorimetric measurement under an applied voltage. For a VO{sub 2} plate with a 0.4 mm thickness located in the center of a capacitor-like structure, the metal-insulator transition was manipulated by applying a few volts. The occurrence of a transition in such a thick sample with relatively low voltage indicates that a surface charge accumulation mechanism is effective. The isothermal entropy change reached 94 J kg{sup −1} K{sup −1}, while the adiabatic temperature change was calculated as −3.8 K under a voltage change of 0–3 V. The large entropy change is attributed to correlation of the complex freedom among spin, charge, and lattice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Two-dimensional electromagnetic quantum-hydrodynamic simulations of isochoric heating of a solid target by proton beams

Isochoric heating of an aluminum target by proton beams has been studied with a two-dimensional self-consistent electromagnetic quantum-hydrodynamic model, including the nonlinear quantum effects. It is shown that most protons deposit their energy within several micrometers near the surface, and the aluminum metal target is heated up to several electron volts in tens of Mbar pressure regime within one picosecond. Comparison between electrostatic and electromagnetic cases shows that the strength of electromagnetic field is much smaller than that of the electrostatic field at initial stage but increases more rapidly and becomes larger at later time. The results show that the time evolution of electric field has a significant influence on the interaction of intense beams with a solid target, while the effect of the self-magnetic field is small for non-relativistic beams considered here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗