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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Physical and electrical properties of melt-spun Fe-Si (3–8 wt.%) soft magnetic ribbons

Highlights: • Increasing processing wheel speed during melt spinning refined both the ribbon cross-sectional thickness and grain size. • Mössbauer studies indicated Si content influenced the number of Fe sites and the magnetic field/structural environments. • Vickers hardness and the elastic modulus were observed to increase in response to elevated Si content and wheel speed. • Increasing Si content diluted the magnetization. - Abstract: Fe-Si alloys ranging from 3 to 8 wt% Si were rapidly solidified using melt spinning. Wheel speeds of 30 m/s and 40 m/s were employed to vary cooling rates. Mössbauer spectroscopic studies indicated the Si content significantly influenced the number of Fe sites, relative abundance of various Fe species, and internal magnetic fields/structural environments. Wheel speed altered Fe speciation only in the 3 wt% sample. Scanning electron microscopy confirmed that increasing the wheel speed refined both the ribbon thickness and grain size. Electron backscatter diffraction results suggest tailoring melt spinning process parameters and alloy chemistry may offer the ability to manipulate {001} texture development. Electrical resistivity measurements were observed to increase in response to elevated Si content. Increased hardness was correlated to elevated Si content and wheel speed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Pressure-induced phase transition and electrical properties of thermoelectric Al-doped Mg{sub 2}Si

A recent study has shown the thermoelectric performance of Al-doped Mg{sub 2}Si materials can be significantly enhanced at moderate pressure. To understand the cause of this phenomenon, we have performed in situ angle dispersive X-ray diffraction and infrared reflectivity measurements up to 17 GPa at room temperature. Contrary to previous experiment, using helium as a pressure transmission medium, no structural transformation was observed in pure Mg{sub 2}Si. In contrast, a phase transition from cubic anti-fluorite (Fm-3m) to orthorhombic anti-cotunnite (Pnma) was observed in the Al-doped sample at 10 GPa. Infrared reflectivity measurements show the electrical conductivity increases with pressure and is further enhanced after the phase transition. The electron density of states at the Fermi level computed form density functional calculations predict a maximum thermoelectric power factor at 1.9 GPa, which is in good agreement with the experimental observation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Reversible electric-field control of magnetization at oxide interfaces

Electric field control of magnetism has remained a major challenge which would greatly impact data storage technology. Although progress in this direction has been recently achieved, reversible magnetization switching by an electric field requires the assistance of a bias magnetic field. In this work, we take advantage of the novel electronic phenomena emerging at interfaces between correlated oxides and demonstrate reversible, voltage-driven magnetization switching without magnetic field. Sandwiching a (non superconducting) cuprate between two manganese oxide layers, we find a novel form of magnetoelectric coupling arising from the orbital reconstruction at the interface between interfacial Mn spins and localized states in the CuO2 planes. This results in a ferromagnetic coupling between the manganite layers that can be controlled by a voltage. Consequently, the devices can be electrically toggled between two magnetization states (and corresponding spin-dependent resistance states in magnetic tunnel junctions) in the absence of a magnetic field.

Cuellar, F. A.↗
DOE OSTI2014

Excitons in a quasi-one-dimensional quantum nanorod under a strong electric field

The response of an exciton in the ground and first excited states to a strong DC electric field is studied in a quasi-one-dimensional nano quantum well (i.e., nanorod) bounded by high symmetric barriers by studying the energy, the oscillator strength, the root-mean-square (RMS) average of the electron-hole (e-h) separation, and the average positions of the electron and the hole. The interplaying effect between the barrier confinement, e-h attraction, and the field-induced e-h separation for exciton binding is examined. We find that, for a long nanorod, the exciton energy, as well as, the oscillator strength drops abruptly as a function of the field near the exciton-dissociation field while the RMS average of the e-h separation rises rapidly. For shorter rods, the transition is more gradual due to the combined effect of the confinement and the long-range e-h interaction. A strong field is shown to transform the optically-inactive first excited state into an optically-active state in the field range between the dissociation field of the ground state and that of the first excited level. We also find that, in the ground state, the (lighter) electron is dragged by the (heavier) hole below the dissociation field. The dependence of the above mentioned properties on the rod length is also investigated for varying fields. The results are compared with those obtained for the rods with parabolic confinement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Integrated optical and electrical modeling of plasmon-enhanced thin film photovoltaics: A case-study on organic devices

The nanoscale light control for absorption enhancement of organic photovoltaic (OPV) devices inevitably produces strongly non-uniform optical fields. These non-uniformities due to the localized optical modes are a primary route toward absorption enhancement in OPV devices. Therefore, a rigorous modeling tool taking into account the spatial distribution of optical field and carrier generation is necessary. Presented here is a comprehensive numerical model to describe the coupled optical and electrical behavior of plasmon-enhanced polymer:fullerene bulk heterojunction (BHJ) solar cells. In this model, a position-dependent electron-hole pair generation rate that could become highly non-uniform due to photonic nanostructures is directly calculated from the optical simulations. By considering the absorption and plasmonic properties of nanophotonic gratings included in two different popular device architectures, and applying the Poisson, current continuity, and drift/diffusion equations, the model predicts quantum efficiency, short-circuit current density, and desired carrier mobility ratios for bulk heterojunction devices incorporating nanostructures for light management. In particular, the model predicts a significant degradation of device performance when the carrier species with lower mobility are generated far from the collecting electrode. Consequently, an inverted device architecture is preferred for materials with low hole mobility. This is especially true for devices that include plasmonic nanostructures. Additionally, due to the incorporation of a plasmonic nanostructure, we use simulations to theoretically predict absorption band broadening of a BHJ into energies below the band gap, resulting in a 4.8% increase in generated photocurrent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Evaluation of the constant potential method in simulating electric double-layer capacitors

A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is the choice of an appropriate model for the electrode. Typically, in such simulations the electrode surface is modeled using a uniform fixed charge on each of the electrode atoms, which ignores the electrode response to local charge fluctuations in the electrolyte solution. In this work, we evaluate and compare this Fixed Charge Method (FCM) with the more realistic Constant Potential Method (CPM), [S. K. Reed et al., J. Chem. Phys. 126, 084704 (2007)], in which the electrode charges fluctuate in order to maintain constant electric potential in each electrode. For this comparison, we utilize a simplified LiClO{sub 4}-acetonitrile/graphite EDLC. At low potential difference (ΔΨ ⩽ 2 V), the two methods yield essentially identical results for ion and solvent density profiles; however, significant differences appear at higher ΔΨ. At ΔΨ ⩾ 4 V, the CPM ion density profiles show significant enhancement (over FCM) of “inner-sphere adsorbed” Li{sup +} ions very close to the electrode surface. The ability of the CPM electrode to respond to local charge fluctuations in the electrolyte is seen to significantly lower the energy (and barrier) for the approach of Li{sup +} ions to the electrode surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films

Non-equilibrium state defines physical properties of materials in many technologies, including architectural, metallic, and semiconducting amorphous glasses. In contrast, crystalline electronic and energy materials, such as transparent conductive oxides (TCO), are conventionally thought to be in equilibrium. Here, we demonstrate that high electrical conductivity of crystalline Ga-doped ZnO TCO thin films occurs by virtue of metastable state of their defects. These results imply that such defect metastability may be important in other functional oxides. This finding emphasizes the need to understand and control non-equilibrium states of materials, in particular, their metastable defects, for the design of novel functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evolving Electricity Supply and Demand to Achieve Net-Zero Emissions: Insights from the EMF-37 Study

This paper explores the role of electricity in achieving economy-wide net-zero CO2 emissions by 2050 in the United States based on results from 17 models as part of the 37th Stanford Energy Modeling Forum (EMF-37). In the study's Net-Zero scenario, the models use diverse pathways to achieve net-zero emissions by 2050, with gross energy-related residual emissions ranging from 17.2 to 66.6 % of 2020 levels. Electricity consistently emerges as central to achieving net-zero, with models projecting rapid electrification of end-uses and rapidly declining CO2 intensity of electricity. However, the extent of electrification and the technology mix to decarbonize the power sector vary considerably across models. In the Net-Zero scenario, electricity is projected to evolve from ~20 % of final energy in 2020 to 17-63 % in 2050 across the models driven by electrification in all sectors-buildings, industry, and transportation-and, to a lesser extent by direct air capture. By 2050, total electricity consumption increases by 24-176 % (relative to 2020), accompanied by significant expansion in renewable electricity production. Together, solar and wind generation grows by 175-834 %, supplying 45-90 % of total electricity in 2050, with wind achieving slightly higher shares than solar. Electricity storage technologies are deployed at scale to support wind and solar generation. The electricity generation mix varies across models: some project almost complete reliance on renewables, while others see a substantial role for natural gas, often with carbon capture and storage. This paper synthesizes the rich diversity of modeling approaches and results, highlighting differing views on how key drivers of electricity demand and supply might evolve.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

Contact value relations and density functional theory for the electrical double layer

The recently developed contact-corrected density functional theory is applied to an electric double layer containing a valence and size symmetric electrolyte. The restricted primitive model is used to describe the electrolyte, and a non-polarisable, smooth, planar, uniformly charged hard surface is used to model the electrode. Comparison with Monte Carlo simulation results for this system shows that the theory satisfies the first contact value relation in line with the premise of the approach. Additionally, the theory is found to satisfy the semi-empirical second contact value relation quite closely. This is a welcome result, since no reference is made to this second relation nor is the relation used in the theoretical development. The second contact relation is closely related to the anomalous positive temperature derivative of the double layer capacitance at low temperature, low ion concentration, and low electrode charge, and indeed, the contact-corrected density functional theory predicts this effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Ephemeral Electric Potential and Electric Field Sensor

Systems, methods, and devices of the various embodiments provide for the minimization of the effects of intrinsic and extrinsic leakage electrical currents enabling true measurements of electric potentials and electric fields. In an embodiment, an ephemeral electric potential and electric field sensor system may have at least one electric field sensor and a rotator coupled to the electric field sensor and be configured to rotate the electric field sensor at a quasi-static frequency. In an embodiment, ephemeral electric potential and electric field measurements may be taken by rotating at least one electric field sensor at a quasi-static frequency, receiving electrical potential measurements from the electric field sensor when the electric field sensor is rotating at the quasi-static frequency, and generating and outputting images based at least in part on the received electrical potential measurements.

Generazio, Edward R.↗
DOE OSTI2018

Modeling the adsorbate coverage distribution over a multi-faceted catalytic grain in the presence of an electric field: O/Fe from first principles

The impact of an external electric field on the concerted behavior of oxygen over a multi-faceted catalytic Fe grain is determined via the interpolation of ab initio models of oxygen adsorption on Fe(100), Fe(110), and Fe(111) in the presence of an external electric field. The application of both negative and positive electric fields weaken the adsorption strength for oxygen on all three surface facets, with Fe(110) experiencing the greatest effect. Kinetic models of a multi-faceted catalytic Fe grain show that the average oxygen coverage over the grain surface is reduced under the influence of both a negative and positive electric field, which are consistent with phase diagram results at comparable pressures. Furthermore, we show that there is a weak synergistic effect between a Pd promoter and a positive electric field on the oxygen adsorption energy, i.e. the Pd promoter and electric field combination weaken the oxygen adsorption energy to a greater degree than the simple addition of both components separately. Overall, the work shows that the application of an applied external electric field may be a useful tool in fine-tuning chemical properties of Fe-based catalysts in hydrodeoxygenation applications.

Bray, Jacob E.↗
DOE OSTI2018

Could a bioenergy program stimulate electric vehicle market penetration? Potential impacts of biogas to electricity annual rebate program

Abstract The biogas‐to‐electricity pathway under the Renewable Fuel Standard (RFS) allows for Renewable Identification Number (RIN) credits to be generated when electricity produced from biogas is used in the transportation sector. Though approved as a general pathway, EPA has proposed multiple credit allocation methods to functionalize this pathway. This study describes and evaluates a potential credit allocation framework where vehicle manufacturers generate electricity RIN (E‐RIN) credits and use these credits to increase the sales of plug‐in electric vehicles (PEVs). Under this framework, manufacturers use part of the credit value to reimburse electricity generators, offsetting potential higher biogas electricity generation cost. The remaining credit value is passed on to consumers as an annual PEV rebate to stimulate PEV sales. An iterative simulation framework is developed to fulfill two tasks: (a) to estimate the annual rebate amounts and their upfront value to consumers based on various factors, such as vehicle mileage, E‐RIN equivalence value, and biogas capacity, and (b) to evaluate potential impacts of the E‐RIN program on electrification of the future light‐duty vehicles (LDVs) and energy use. The annual rebate amount varies by vehicle technology and could be up to $870/year for battery electric vehicles (BEVs) and range between $230 and 825/year for plug‐in hybrid electric vehicles (PHEVs) depending on the electric range. These per vehicle rebates decrease when demand for electricity exceeds biogas electricity availability. The effectiveness of the program as modeled here is subject to different factors, such as the E‐RIN equivalence value, biogas electricity generation cost, biogas electricity generation capacity, and consumers’ valuation of the E‐RIN rebate. Our modeling results indicate that an E‐RIN program has the potential to produce nearly $12 billion in E‐RIN credits annually and to significantly increase PEV annual sales by up to 2.3 million and the PEV population by about 19.7 million in 2030.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Analyzing The Impacts of the Biogas-to-Electricity Purchase Incentives on Electric Vehicle Deployment with the MA3T Vehicle Choice Model

This analysis represents the biogas-to-electricity pathway under the Renewable Fuel Standard (RFS) as a point of purchase incentive and tests the impact of this incentive on EV deployment using a vehicle consumer choice model. The credit value generated under this policy was calculated in a number of scenarios based on electricity use of each power train choice on a yearly basis over the 15 year vehicle lifetime, accounting for the average electric vehicle miles travelled and vehicle efficiency, competition for biogas-derived electricity among electric vehicles (EVs), the RIN equivalence value and the time value of money. The credit value calculation in each of these scenarios is offered upfront as a point of purchase incentive for EVs using the Market Acceptance of Advanced Automotive Technologies (MA3T) vehicle choice model, which tracks sales, fleet size and energy use over time. The majority of the scenarios use a proposed RIN equivalence value, which increases the credit value as a way to explore the analysis space. Additional model runs show the relative impact of the equivalence value on EV deployment. The MA3T model output shows that a consumer incentive accelerates the deployment of EVs for all scenarios relative to the baseline (no policy) case. In the scenario modeled to represent the current biogas-to-electricity generation capacity (15 TWh/year) with a 5.24kWh/RIN equivalence value, the policy leads to an additional 1.4 million plug-in hybrid electric vehicles (PHEVs) and 3.5 million battery electric vehicles (BEVs) in 2025 beyond the no-policy case of 1.3 million PHEVs and 2.1 million BEVs when the full value of the credit is passed on to the consumer. In 2030, this increases to 2.4 million PHEVs and 7.3 million BEVs beyond the baseline. This larger impact on BEVs relative to PHEVs is due in part to the larger credit that BEVs receive in the model based on the greater percentage of electric vehicle miles traveled by BEVs relative to PHEVs. In this scenario 2025 also represents the last year in which biogas-derived electricity is able to fully supply the transportation electricity demand in the model. After 2025, the credit value declines on a per vehicle basis. At the same time a larger fraction of the credit may shift towards biogas producers in order to incent additional biogas production. The expanded 41 TWh/year biogas availability scenarios represent an increase beyond today s generation capacity and allow greater eRIN generation. With a 5.24kWh/RIN equivalence value, when all of the credit is directed towards reducing vehicle purchase prices, the 41 TWh/year biogas scenario results in 4.1 million additional PHEVs and 12.2 million additional BEVs on the road in 2030 beyond the baseline of 2.5 million PHEVs and 6.1 million BEVs. Under this expanded biogas capacity, biogas-derived electricity generation is able to fully supply electricity for a fleet of over 21 million EVs (15.6 million BEVs and 5.8 million PHEVs) on a yearly basis. In addition to assessing the full value credit scenarios described above, multiple scenarios were analyzed to determine the impact if only a fraction of the credit value was passed on to the consumer. In all of these cases, the EV deployment was scaled back as the fraction of the credit that was passed on to the consumer was reduced. These scenarios can be used to estimate the impact if the credit value is reduced in other ways as well, as demonstrated by the scenarios where the current (22.6 kWh/RIN) equivalence value was used. The EV deployment that results from an equivalence value of 22.6 kWh/RIN equivalence value is roughly equivalent to the EV deployment observed in the 25% case using the 5.24 kWh/RIN equivalence value. A higher equivalence value means that a smaller number of credits, and therefore value, is created for each kWh, and therefore the impact on EV deployment is reduced. This analysis shows several of the drivers that will impact eRIN generation and credit value, and tests the impact of an eRIN point of purchase incentive on EV deployment. This additional incentive can accelerate the deployment of EVs when it is used to reduce vehicle purchase prices. However, the ultimate impact of this policy, as modeled here, will be determined by future RIN prices, the extent to which eRIN credit value can be passed on to the consumer as a point of purchase incentive and the equivalence value.

09 BIOMASS FUELS↗
DOE OSTI2016

Base-load high-temperature reactors with variable electricity to the grid using Brayton cycles to match low-carbon electricity markets - 18622

The electricity markets are changing because of (1) the transition to a low-carbon electricity grid and (2) addition of solar and wind. The large-scale addition of wind or solar results in low-electricity prices at times of high wind or solar output. It also results in higher electricity prices at times of low wind and solar input. This changing market in the United States favors natural gas plants with low capital costs and high operating costs where it is economic to shut down the gas turbine at times of low electricity prices. Such markets are less favorable to base-load nuclear plants. The change in the markets requires rethinking high-temperature reactor (HTR) power systems to enable base-load reactor operations with variable electricity to the grid. Base-load reactor operation is required to minimize costs but electricity output to the grid must be maximized at times of high prices to maximize total revenue. This can be accomplished by HTR open or closed Brayton power cycles coupled to high-temperature heat storage systems such as Firebrick Resistance-Heated Energy Storage (FIRES) or using auxiliary natural gas if coupled to an open Brayton power cycle. The temperature limits of HTRs are far below gas turbine temperature limits. This characteristic allows the power cycle to operate at base-load on nuclear heat with the option of added peak power by increasing compressed gas temperatures after nuclear heating but before the power turbine with other heat sources (natural gas, FIRES). For the case we have studied, the incremental heat to electricity efficiency is above 66%. The high efficiency is because it is a thermodynamic topping cycle. Because incremental heat-to-electricity efficiency is greater than a stand-alone natural gas plant (60%), such plants can directly compete against natural gas. At times of low electricity prices, electricity from the HTR and purchased from the grid is used to charge FIRES that can provide high-temperature heat as a substitute for natural gas for peak electricity production. Such nuclear Brayton cycles can replace fossil fuels in providing variable electricity on demand to the grid. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗