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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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DOE OSTI2017

First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs

We present a first-principles framework to investigate the electron scattering channels and transport properties for polar materials by combining the exact solution of the linearized electron-phonon (e-ph) Boltzmann transport equation in its integral-differential form associated with the e-ph coupling matrices obtained from the polar Wannier interpolation scheme. No ad hoc parameter is required throughout this calculation, and GaAs, a well-studied polar material, is used as an example to demonstrate this method. In this work, the long-range and short-range contributions as well as the intravalley and intervalley transitions in the e-ph interactions (EPIs) have been quantitatively addressed. Promoted by such mode-by-mode analysis, we find that in GaAs, the piezoelectric scattering is comparable to deformation-potential scattering for electron scatterings by acoustic phonons in EPI even at room temperature, and it makes a significant contribution to mobility. Furthermore, we achieved good agreement with experimental data for the mobility, and we identified that electrons with mean free paths between 130 and 210 nm provide the dominant contribution to the electron transport at 300 K. As a result, such information provides a deeper understanding of the electron transport in GaAs, and the presented framework can be readily applied to other polar materials.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Extended-Term Dynamic Simulations with High Penetrations of Photovoltaic Generation.

The uncontrolled intermittent availability of renewable energy sources makes integration of such devices into today's grid a challenge. Thus, it is imperative that dynamic simulation tools used to analyze power system performance are able to support systems with high amounts of photovoltaic (PV) generation. Additionally, simulation durations expanding beyond minutes into hours must be supported. This report aims to identify the path forward for dynamic simulation tools to accom- modate these needs by characterizing the properties of power systems (with high PV penetration), analyzing how these properties affect dynamic simulation software, and offering solutions for po- tential problems. We present a study of fixed time step, explicit numerical integration schemes that may be more suitable for these goals, based on identified requirements for simulating high PV penetration systems. We also present the alternative of variable time step integration. To help determine the characteristics of systems with high PV generation, we performed small signal sta- bility studies and time domain simulations of two representative systems. Along with feedback from stakeholders and vendors, we identify the current gaps in power system modeling including fast and slow dynamics and propose a new simulation framework to improve our ability to model and simulate longer-term dynamics.

14 SOLAR ENERGY↗

NASA NTRS1980

Absolute elastic differential electron scattering cross sections for He - A proposed calibration standard from 5 to 200 eV

Absolute differential, integral, and momentum-transfer cross sections for electrons elastically scattered from helium are reported for the impact energy range of 5 to 200 eV. Angular distributions for elastically scattered electrons are measured in a crossed-beam geometry using a collimated, differentially pumped atomic-beam source which requires no effective-path-length correction. Below the first inelastic threshold the angular distributions were placed on an absolute scale by use of a phase-shift analysis. Above this threshold, the angular distributions from 10 to 140 deg were fitted using the phase-shift technique, and the resulting integral cross sections were normalized to a semiempirically derived integral elastic cross section. Depending on the impact energy, the data are estimated to be accurate to within 5 to 9%.

DOE OSTI2025

Advanced Processing of Coal and Coal Waste to Produce Graphite for Fast-Charging Lithium-Ion Battery Anode

The University of North Dakota (UND) Energy & Environmental Research Center (EERC), in collaboration with the UND Center for Process Engineering Research (CPER), conducted a project to validate two technologies capable of converting North Dakota lignite and lignite coal waste to high-quality graphite for fast-charging lithium-ion battery (LIB) anode. The project was conducted over about 3 years from April 7, 2022, to July 6, 2025. The two technological paths pursued in this project include path A – direct conversion of coal or coal waste to graphite by the upgraded carbon ores to products (UCOP) process being developed at the EERC and path B – lignite-derived coal tar pitch (CTP) conversion to graphite (CTP2G) process being developed at CPER. The results from this project validate the two technological approaches and are expected to be an integral part of a portfolio of emerging technologies for making high-quality graphite not only from North Dakota lignite, but from all ranks of U.S. domestic coal and coal waste resources. The quality of the graphite produced by these technologies is high enough for various applications, including batteries for the fast-growing electric vehicle industry, energy storage applications, electric arc furnace electrodes for steel production, and graphene production, among others. Although the two technologies can produce high-quality graphite, they are fundamentally different in that the UCOP technology provides a direct path to transform coal to graphite, while the CTP2G technology needs to go through a CTP intermediate and a coking process for the intermediate, which requires a special facility to accomplish. For application in the industry, the UCOP process is designed to be more flexible, with feedstock to include potentially any carbonaceous material such as all coal ranks and biochar, while the CTP2G process is designed to utilize CTP as the starting precursor. The key project accomplishments include the following: • Successful preparation of high-quality synthetic graphite from North Dakota lignite coal/coal wastes and lignite-derived CTP. • Patent application has been filed for the UCOP process and an internal invention disclosure has been filed for the CTP2G process. • The produced graphite performs better than a commercial battery-grade sample in LIB coin cells, especially fast-charging capability, stability, and long-duration cycling. • Coin-type Li-ion half-cells with CTP2G graphite showed excellent performance, with >370 mAh/g capacity, >90% initial coulombic efficiency, and 93%/67% retention at 1C/2C rate, which outperforms commercial graphite in charging speed, stability, and cycling. • Results of fabricated 18650 cells were consistent with the observations in coin cells. • Preliminary techno-economic analysis (TEA) estimates for the UCOP technology indicate a manufacturing cost of about $\$$39/kg based on 50-metric ton/year capacity. • Preliminary TEA estimates for the CTP2G technology indicate a market price of about $\$$7107/ton ($\$$7/kg) based on 22,000-ton/year production capacity.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2025

Comparative Study of Solvatomorphs of Stryker's Reagent Using MicroED and Quantum Mechanics

Abstract The atomic position of hydrogen atoms in metal hydrides has been a long‐standing structural question in inorganic chemistry given that hydride delivery is integral to diverse chemical reactions. Microcrystal electron diffraction (microED), with it's increased sensitivity toward hydrogen atoms relative to X‐ray diffraction, offers a potential path to addressing this challenge. Herein, the first microED study of Stryker's reagent is reported, resulting in the structure of a new benzene solvate. Improved accuracy for hydrogen atom positions was obtained via a quantum crystallography (QCr) approach, Hirshfeld atom refinement (HAR). Structural and topological analysis supports edge bridging hydrides in the microED structure of a THF solvate form, consistent with previous diffraction studies. Interestingly, analysis of a new benzene solvate, discovered in this study, is consistent with mixed edge‐ and face‐bridging hydrides.

Jha, Kunal K. [Division of Chemistry &amp, Chemica↗

DOE OSTI2022

System and technoeconomic analysis of solar thermochemical hydrogen production

Hydrogen is a promising energy carrier that can be obtained from various feedstocks using renewable energy sources. Direct solar thermochemical hydrogen (STCH) production by water splitting can utilize the full spectrum of solar radiation and has the potential to achieve high solar energy conversion efficiencies. Currently STCH research areas focus on material discovery. This paper evaluates the performance of various STCH materials in the context of a system platform to assess techno-economic benefits and gaps in the path to STCH scale-up. Additionally, to analyze the hydrogen production cost, a concentrating solar thermal (CST) system is introduced as a platform for integrating STCH materials and accommodating generalized thermochemical processes. The thermochemical process is based on a two-step STCH cycle using metal oxide that consists of a high temperature step for metal oxide reduction, followed by an oxidation step for water splitting at a lower temperature. A preferred configuration is to have the high temperature step occurring in a directly irradiated solar receiver reactor. To this end, we conceptualized a receiver design and associated solar field layout and investigated STCH operational boundaries, component costs and sensitivity parameters on the $2/kgH 2 goal of hydrogen production. The study explored system-related variables and factors associated with scaling up. The CST platform allows more comprehensive studies that encompass aspects of STCH materials and systems such as cost, hydrogen productivity and replacement frequency, alongside other system components like heliostat field, tower, and potential receiver costs.

08 HYDROGEN↗

DOE OSTI2023

The Role of Topography in Controlling Evapotranspiration Age

Abstract Evapotranspiration (ET) age is a key metric of water sustainability but a major unknown partly due to the extreme difficulty in modeling it. Groundwater is found to be important in ET age variations in small‐scale studies, yet our understanding is insufficient because groundwater systems are nested across scales. Here, we conducted GPU‐accelerated particle tracking with integrated hydrologic modeling to quantify the variations in ET age at a regional scale of ∼0.4 M km 2 . Simulation results reveal topography‐driven flow paths shaping the spatial and temporal patterns of ET age variations. On ridges, where root zone decoupling with deep subsurface storage, ET age is generally young, with seasonal variations dominated by meteorological conditions. In the valley bottom, ET age is generally old, with significant subseasonal variations caused by the convergence of subsurface flow paths. On hillslopes with water table depths ranging from 1 to 10 m, ET age shows strong seasonal variations caused by the connections with lateral groundwater regulated by ET demand. Our modeling approach provides insights into the basic linkages between ET age and topography at large scale. Our work highlights the perspective of multiscale studies of ET age, suggesting new field experiments to test these process connections and to determine if such linkages warrant inclusion in Earth System Models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

A Disruptive Approach to Electric Vehicle Power Electronics Final Report

This project developed and demonstrated a new power electronics technology for electric vehicle drivetrains, that achieved significant improvements in power density and efficiency over standard drive cycles, relative to the commercial state of the art. In particular, the prototype measured loss and efficiency curves demonstrated a reduction in total loss over the US EPA US06 drive cycle by a factor of four. Similar reductions are observed for urban (UDDS) and highway (HWFET) drive cycles. Further, the project demonstrated a significant reduction in the total film capacitor requirements, by over an order of magnitude; this was achieved through fundamental improvements in converter circuit topologies. These nonincremental technology advances can lead to significant improvements in temperature rise, reliability, cost, and cooling system size and weight. These results were achieved through a new proposed composite converter architecture, and were demonstrated in a boost-type system similar to that employed by Toyota, Ford, and Honda. A 30 kW silicon prototype achieved a US06 average efficiency of 97.5%, which represents a reduction in average loss by a factor of approximately four relative to the 92.5% average efficiency of the commercial state of the art. A silicon carbide prototype achieved similar efficiency, while also achieving power densities of 23 kW/L (volumetric) and 20 kW/kg (gravimetric) in a boost dc-dc system including magnetics and film capacitors. This was achieved with a SiC switching frequency of 240 kHz, which allowed employment of planar magnetics. These power densities are roughly four times better than the commercial state of the art, and significantly exceed the DOE APEEM 2020 goals. In addition to the composite boost system, a SiC inverter was demonstrated at the 800 V 30 kW level. This inverter was demonstrated driving a permanent magnet machine over the US 06 drive cycle. The replacement of 1200 V Si IGBTs with 1200 V SiC MOSFETs led to improvement of CAFE average efficiency from 98.7% to 99.5%, which corresponds to a reduction of average loss by a factor of approximately two. The modular nature of the composite converter architecture opens the possibility of reuse of one or more converter modules during charging operations, providing a path for onboard charging capability at significant power levels while significantly reducing the volume and weight of the added charger module. This project demonstrated an integrated Level II charger whose add-on specific weight was approximately four times better than the DOE PHEV charger 2022 targets.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1988

Flight evaluation of an integrated control and display system for high-precision manual landing flare of powered-lift STOL aircraft

An account is given of the features and performance of a manual landing flare and touchdown system capable of great precision, as demonstrated by its installation in the NASA Quiet Short-haul Research Aircraft (QSRA). The integrated cockpit display and closed-loop control employed constitutes a trajectory-augmentation system that extends QSRA flight control from augmentation of altitude, flight path angle, and airspeed, to the augmentation of the trajectory itself. The + or - 18 ft touchdown dispersion achieved is approximately equal to that obtained during aircraft carrier trials of the same aircraft.

Hynes, Charles S.↗

NASA NTRS1994

Simplex turbopump design

Turbomachinery used in liquid rocket engines typically are composed of complex geometries made from high strength-to-weight super alloys and have long design and fabrication cycle times (3 to 5 years). A simple, low-cost turbopump is being designed in-house to demonstrate the ability to reduce the overall cost to $500K and compress life cycle time to 18 months. The simplex turbopump was designed to provide a discharge pressure of 1500 psia of liquid oxygen at 90 lbm/s. The turbine will be powered by gaseous oxygen. This eliminates the need for an inter-propellant seal typically required to separate the fuel-rich turbine gases from the liquid oxygen pump components. Materials used in the turbine flow paths will utilize existing characterized metals at 800 deg R that are compatible with a warm oxygen environment. This turbopump design would be suitable for integration with a 40 K pound thrust hybrid motor that provides warm oxygen from a tapped-off location to power the turbine. The preliminary and detailed analysis was completed in a year by a multiple discipline, concurrent engineering team. Manpower, schedule, and cost data were tracked during the process for a comparison to the initial goal. The Simplex hardware is the procurement cycle with the expectation of the first test to occur approximately 1.5 months behind the original schedule goal.

Marsh, Matt↗

NASA NTRS2011

Advanced UVOIR Mirror Technology Development for Very Large Space Telescopes

Objective of this work is to define and initiate a long-term program to mature six inter-linked critical technologies for future UVOIR space telescope mirrors to TRL6 by 2018 so that a viable flight mission can be proposed to the 2020 Decadal Review. (1) Large-Aperture, Low Areal Density, High Stiffness Mirrors: 4 to 8 m monolithic & 8 to 16 m segmented primary mirrors require larger, thicker, stiffer substrates. (2) Support System:Large-aperture mirrors require large support systems to ensure that they survive launch and deploy on orbit in a stress-free and undistorted shape. (3) Mid/High Spatial Frequency Figure Error:A very smooth mirror is critical for producing a high-quality point spread function (PSF) for high-contrast imaging. (4) Segment Edges:Edges impact PSF for high-contrast imaging applications, contributes to stray light noise, and affects the total collecting aperture. (5) Segment-to-Segment Gap Phasing:Segment phasing is critical for producing a high-quality temporally stable PSF. (6) Integrated Model Validation:On-orbit performance is determined by mechanical and thermal stability. Future systems require validated performance models. We are pursuing multiple design paths give the science community the option to enable either a future monolithic or segmented space telescope.

Stahl, H. Philip↗

NASA NTRS2012

Online Cable Tester and Rerouter

Hardware and algorithms have been developed to transfer electrical power and data connectivity safely, efficiently, and automatically from an identified damaged/defective wire in a cable to an alternate wire path. The combination of online cable testing capabilities, along with intelligent signal rerouting algorithms, allows the user to overcome the inherent difficulty of maintaining system integrity and configuration control, while autonomously rerouting signals and functions without introducing new failure modes. The incorporation of this capability will increase the reliability of systems by ensuring system availability during operations.

Lewis, Mark↗

NASA NTRS1994

An integrated optical CO2 sensor. Phase 0: Design and fabrication of critical elements

Significant progress has been made toward all of the goals for the first phase of the project short of actual fabrication of a light path. Two alternative approaches to fabricating gold mirrors using the basic LIGA process were developed, one using electroplated solid gold mirrors and the second using gold plated over a nickel base. A new method of fabrication, the transfer mask process, was developed and demonstrated. Analysis of the projected surface roughness and beam divergence effects was completed. With gold surface with low surface roughness scattering losses are expected to be insignificant. Beam divergence due to diffraction will require a modification of the original design, but should be eliminated by fabricating mirrors 1000 mu m in height by 1000 mu m in width and using a source with an initial beam radius greater than 300 mu m. This may eliminate any need for focusing optics. Since the modified design does not affect the mask layout, ordering of the mask and fabrication of the test structures can begin immediately at the start of Phase 1.

Murphy, Michael C.↗

DOE OSTI2022

Multifunctional intensified reactor device with integrated heat and mass transfer

A packing device for mass and heat transfer with a subject fluid includes a housing having opposing ends, and subject fluid openings at each opposing end defining a subject fluid flow path for at least one subject fluid flowing through the packing device. A plurality of mass and heat transfer plates each include an interior heat exchange fluid channel disposed between interior heat transfer surfaces of the mass and heat transfer plates. A heat exchange fluid inlet and fluid outlet can supply and remove heat exchange fluid to the heat exchange fluid channels of the mass and heat transfer plates. The mass and heat transfer plates can be oriented to define there between fluid flow channels for the subject fluid. A method and system for mass and heat transfer with a subject fluid, and a method and system for the removal of CO2 from a gas stream are disclosed.

Lai, Canhai↗

DOE OSTI2013

A Simple Model of Global Aerosol Indirect Effects

Most estimates of the global mean indirect effect of anthropogenic aerosol on the Earth’s energy balance are from simulations by global models of the aerosol lifecycle coupled with global models of clouds and the hydrologic cycle. Extremely simple models have been developed for integrated assessment models, but lack the flexibility to distinguish between primary and secondary sources of aerosol. Here a simple but more physically-based model expresses the aerosol indirect effect using analytic representations of droplet nucleation, cloud and aerosol vertical structure, and horizontal variability in cloud water and aerosol concentration. Although the simple model is able to produce estimates of aerosol indirect effects that are comparable to those from some global aerosol models using the same global mean aerosol properties, the estimates are found to be sensitive to several uncertain parameters, including the preindustrial cloud condensation nuclei concentration, primary and secondary anthropogenic emissions, the size of the primary particles, the fraction of the secondary anthropogenic emissions that accumulates on the coarse mode, the fraction of the secondary mass that forms new particles, and the sensitivity of liquid water path to droplet number concentration. Aerosol indirect effects are surprisingly linear in emissions. This simple model provides a much stronger physical basis for representing aerosol indirect effects than previous representations in integrated assessment models designed to quickly explore the parameter space of emissions-climate interactions. The model also produces estimates that depend on parameter values in ways that are consistent with results from detailed global aerosol-climate simulation models.

aerosol↗

NASA NTRS1994

Spatial awareness comparisons between large-screen, integrated pictorial displays and conventional EFIS displays during simulated landing approaches

An extensive simulation study was performed to determine and compare the spatial awareness of commercial airline pilots on simulated landing approaches using conventional flight displays with their awareness using advanced pictorial 'pathway in the sky' displays. Sixteen commercial airline pilots repeatedly made simulated complex microwave landing system approaches to closely spaced parallel runways with an extremely short final segment. Scenarios involving conflicting traffic situation assessments and recoveries from flight path offset conditions were used to assess spatial awareness (own ship position relative the the desired flight route, the runway, and other traffic) with the various display formats. The situation assessment tools are presented, as well as the experimental designs and the results. The results demonstrate that the integrated pictorial displays substantially increase spatial awareness over conventional electronic flight information systems display formats.

Parrish, Russell V.↗

DOE OSTI2025

Success Path Method: Conformance with Safety Management Systems

All industrial facilities deal with safety hazards such as equipment failures, chemical and toxic releases, and fires and explosions just to name a few. A disciplined framework for managing the integrity of operating systems and processes that handle hazardous substances by applying good design principles, engineering, and operating practices is called process safety. The goal of such framewoks is to prevent the release of energy or material that could cause harm to people or damage to equipment and/or environment. Process safety covers all aspects of facility operation also including design, maintenance, and human and organizational factors that could possibly have effect on process safety. As it will be seen from the discussion below, process safety is just one of the pieces of the much bigger matter, a safety culture. Many industries have long recognized the importance of safety culture in their day-to-day operation. Although the definition of safety culture can slightly differ from organization to organization, in general, a safety culture is how things are done to demonstrate a commitment to safety by everyone involved. An organization acquires safety culture over time as the product of individual and group values, actions, and behaviors toward overall safety. It is important to note that safety culture should not be viewed as some static state that an organization wants to reach. It is more like a constantly evolving level of “how things are done when nobody is watching.” Safety culture is an inherent characteristic of an organization, it is always present, but the level can range on a continuum from undesirable to desirable or more commonly used, from negative to positive. An example for an undesirable, negative safety culture would be a company in which accidents resulting in harm (physical and/or emotional) of its employees, equipment or surrounding environment and community occur frequently. At the other end of the spectrum would be a company in which such accidents are rare or do not occur at all (desired or positive safety culture). Every company/industry exists somewhere within this spectrum.

42 ENGINEERING↗

DOE OSTI2017

Integration of the ITER Tokamak C-model with the Building Model

The pellet injector system is designed to accommodate the requirement of continuous plasma refueling during ITER Tokamak operations. Through pellet flight tubes/injection lines, the pellets can directly reach the interior of the tokamak vacuum vessel. The pellet injector system is located at a port cell outside of the Tokamak bio-shield. The plasma radiation source in the tokamak vacuum vessel, together with the highly activated surrounding water in port cells, present major radiation challenges for the pellet injector system during ITER operation and after shutdown. These sources produce a radiation field encompassing the entire Tokamak complex. The ITER neutronics reference model C-model is an ITER radiation transport model. It represents a 40 deg. regular torus sector out to the bio-shield, which consists of 38 individual systems. The Monte Carlo N-Particle (MCNP) input of the C-model consists of more than a hundred thousand cell definitions and surface definitions, and over three hundred material compositions. The latest tokamak complex MCNP model is significantly more detailed than any previous releases. It consists of 36,863 cell definitions, 57,105 surface definitions, and a total of 21 different types of materials. The C-model and tokamak building model share the bio-shield as the boundary between them. In general, the radiation fields in the building due to the plasma source during tokamak operation are determined by generating the radiation source in the inner faces of the bio-shield. An inherent limitation of this approach is that it can only approximate the directions in which streaming paths are produced through the bio-shield plugs. To better estimate the shutdown dose rate for the pellet injector system due to the plasma source, we have decided to integrate the tokamak model (C-model) with the complex building model. Both MCNP models are provided by the ITER International Organization (IO) to the Oak Ridge National Laboratory (ORNL) Radiation Transport (RT) group.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗