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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

The Response of the South Asian Summer Monsoon Circulation to Intensified Irrigation in Global Climate Model Simulations

Agricultural intensification in South Asia has resulted in the expansion and intensification of surface irrigation over the twentieth century. The resulting changes to the surface energy balance could affect the temperature contrasts between the South Asian land surface and the equatorial Indian Ocean, potentially altering the South Asian Summer Monsoon (SASM) circulation. Prior studies have noted apparent declines in the monsoon intensity over the twentieth century and have focused on how altered surface energy balances impact the SASM rainfall distribution. Here, we use the coupled Goddard Institute for Space Studies ModelE-R general circulation model to investigate the impact of intensifying irrigation on the large-scale SASM circulation over the twentieth century, including how the effect of irrigation compares to the impact of increasing greenhouse gas (GHG) forcing. We force our simulations with time-varying, historical estimates of irrigation, both alone and with twentieth century GHGs and other forcings. In the irrigation only experiment, irrigation rates correlate strongly with lower and upper level temperature contrasts between the Indian sub-continent and the Indian Ocean (Pearson's r = -0.66 and r = -0.46, respectively), important quantities that control the strength of the SASM circulation. When GHG forcing is included, these correlations strengthen: r = -0.72 and r = -0.47 for lower and upper level temperature contrasts, respectively. Under irrigated conditions, the mean SASM intensity in the model decreases only slightly and insignificantly. However, in the simulation with irrigation and GHG forcing, inter-annual variability of the SASM circulation decreases by *40 %, consistent with trends in the reanalysis products. This suggests that the inclusion of irrigation may be necessary to accurately simulate the historical trends and variability of the SASM system over the last 50 years. These findings suggest that intensifying irrigation, in concert with increased GHG forcing, is capable of reducing the variability of the simulated SASM circulation and altering the regional moisture transport by limiting the surface warming and reducing land-sea temperature gradients.

amplification↗
NASA NTRS2006

A Survey of Plasmas and Their Applications

Plasmas are everywhere and relevant to everyone. We bath in a sea of photons, quanta of electromagnetic radiation, whose sources (natural and artificial) are dominantly plasma-based (stars, fluorescent lights, arc lamps.. .). Plasma surface modification and materials processing contribute increasingly to a wide array of modern artifacts; e.g., tiny plasma discharge elements constitute the pixel arrays of plasma televisions and plasma processing provides roughly one-third of the steps to produce semiconductors, essential elements of our networking and computing infrastructure. Finally, plasmas are central to many cutting edge technologies with high potential (compact high-energy particle accelerators; plasma-enhanced waste processors; high tolerance surface preparation and multifuel preprocessors for transportation systems; fusion for energy production).

Eastman, Timothy E.↗
DOE OSTI2021

Enabling bifacial thin film devices by developing a back surface field using Cu x AlO y

Bifacial solar cells have the potential to increase the energy yield per unit area over traditional monofacial devices without significant added cost, driving $/kWh costs lower and accelerating the adoption of solar photovoltaics. However, the performance of bifacial thin film solar cells significantly lags that achieved by crystalline silicon cells. Here we incorporate wide bandgap Cu x AlO y as a back buffer layer for CdTe devices and achieve a backside illuminated device with high current density and high fill factor. Moreover, these values remain nearly constant even as the absorber layer thickness changes, indicating that a fully-depleted device is not required for efficient charge collection. We show that this response is indicative of a back surface field, albeit with a persistent high back surface recombination velocity. By managing electron reflection, we achieved a backside illumination conversion efficiency of 7.1% and bifaciality of 0.55 for a 3.3 µm CdTe device and 8.0% and 0.62 for a 2 µm device. Future improvements can be made by identifying and incorporating a passivation material that reduces the back surface recombination velocity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Deep Potential model for liquid–vapor equilibrium and cavitation rates of water

Computational studies of liquid water and its phase transition into vapor have traditionally been performed using classical water models. Here, we utilize the Deep Potential methodology—a machine learning approach—to study this ubiquitous phase transition, starting from the phase diagram in the liquid–vapor coexistence regime. The machine learning model is trained on ab initio energies and forces based on the SCAN density functional, which has been previously shown to reproduce solid phases and other properties of water. Here, we compute the surface tension, saturation pressure, and enthalpy of vaporization for a range of temperatures spanning from 300 to 600 K and evaluate the Deep Potential model performance against experimental results and the semiempirical TIP4P/2005 classical model. Moreover, by employing the seeding technique, we evaluate the free energy barrier and nucleation rate at negative pressures for the isotherm of 296.4 K. Further, we find that the nucleation rates obtained from the Deep Potential model deviate from those computed for the TIP4P/2005 water model due to an underestimation in the surface tension from the Deep Potential model. From analysis of the seeding simulations, we also evaluate the Tolman length for the Deep Potential water model, which is (0.091 ± 0.008) nm at 296.4 K. Finally, we identify that water molecules display a preferential orientation in the liquid–vapor interface, in which H atoms tend to point toward the vapor phase to maximize the enthalpic gain of interfacial molecules. We find that this behavior is more pronounced for planar interfaces than for the curved interfaces in bubbles. This work represents the first application of Deep Potential models to the study of liquid–vapor coexistence and water cavitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Charging of Basic Structural Shapes in a Simulated Lunar Environment

In order to understand the effect of the charging environment on and around structures on the lunar surface, we have exposed basic structural shapes to electrons and Vacuum Ultra-Violet (VUV) radiation. The objects were, in separate runs, isolated, grounded, and placed on dielectric surfaces. In this presentation, the effects of electron energy, VUV flux, and sample orientation, on the charging of the objects will be examined. The potential of each of the object surfaces was monitored in order to determine the magnitude of the ram and wake effects under different orientations relative to the incoming beams (solar wind). This is a part of, and complementary to, the study of the group at USC under Dr. J. Wang, the purpose of which is to model the effects of the charging environment on structures on the lunar surface.

Craven, P.↗
DOE OSTI2021

Origins of electronic bands in the antiferromagnetic topological insulator MnBi 2 Te 4

Despite the rapid progress in understanding the first intrinsic magnetic topological insulator MnBi 2 Te 4 , its electronic structure remains a topic under debates. In this work, we perform a thorough spectroscopic investigation into the electronic structure of MnBi 2 Te 4 via laser-based angle-resolved photoemission spectroscopy. Through quantitative analysis, we estimate an upper bound of 3 meV for the gap size of the topological surface state. Furthermore, our circular dichroism measurements reveal band chiralities for both the topological surface state and quasi-2D bands, which can be well reproduced in a band hybridization model. A numerical simulation of energy-momentum dispersions based on a four-band model with an additional step potential near the surface provides a promising explanation for the origin of the quasi-2D bands. Our study represents a solid step forward in reconciling the existing controversies in the electronic structure of MnBi 2 Te 4 , and provides an important framework to understand the electronic structures of other relevant topological materials MnBi 2n Te 3n+1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Enhanced Boundary Layer Height Detection Using Ceilometer, Surface Meteorology, and Radiation Products With a Random Forest Ensemble Method

This study develops and evaluates a Random Forest (RF) model for estimating planetary boundary layer height (PBLH) using 9 years of data from the Atmospheric Radiation Measurement Southern Great Plains (ARM SGP) user facility, with potential application in the NOAA Surface Radiation (SURFRAD) Network. The model integrates ceilometer, surface meteorology, and radiation measurements, and is trained using thermodynamic PBLH estimates derived from radiosondes. This approach aims to bridge gaps between aerosol-based and thermodynamic-based PBLH estimates. The RF model outperformed traditional methods during daytime and better captured transition periods, demonstrating improved accuracy and robustness. At ARM SGP, it showed a substantial reduction in both bias and RMSE, with a bias near zero (−4.9 m) compared with traditional Haar Wavelet (HW) (70.9 m) and Vaisala BL-View software (124.1 m), and an RMSE of 303.2 m, lower than both BL-View (566.9 m) and HW (404.6 m). During daytime hours, RF consistently outperformed both alternatives, maintaining lower bias and RMSE across all periods. At a second evaluation site, RF achieved the lowest overall RMSE (323.7 m), similar to HW (326.4 m) and significantly better than BL-View (738.3 m). However, all models showed reduced accuracy under stable nighttime conditions, limiting the reliability of PBLH estimates. Key predictors for the model included the lifting condensation level height (LCLH), aerosol gradients, and month for seasonal variability. The study underscores the potential of integrating machine learning with multiple data sets such as surface energy and thermodynamic data to advance PBLH estimation.

boundary layer height↗
DOE OSTI2022

Magnetism and magnetotransport in the kagome antiferromagnet Mn 3 Ge

We perform classical Monte Carlo and stochastic Landau-Lifshitz-Gilbert simulations to study the temperature-dependent magnetism of the kagome antiferromagnet Weyl metal Mn3Ge, and we find that a long-range chiral order sets in at a transition temperature well below the Neel temperature (T N ). Based on the crystalline symmetries imposed by the chiral magnetic order, we argue for the presence of multiple isoenergetic Weyl nodes (nodes that are at the same energy and with a congruent Fermi surface around them) near the chemical potential. Using the semiclassical Boltzmann equations, we show that the combined contribution to the net longitudinal magnetoconductance (LMC) and the planar Hall conductance (PHC) from tilted Weyl nodes can lead to signatures that are qualitatively distinct from that of a single pair of Weyl nodes. In particular, we show that magnetic orders with different chiralities can give rise to different periods in LMC and PHC as a function of the in-plane magnetic field direction. As a result, this is ultimately related to differences in the symmetry-imposed constraints on the Weyl nodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

WBG-Enabled Current-Source Inverters for Integrated PM Motor Drives

This project takes advantage of the special capabilities of wide-bandgap (WBG) power semiconductor devices to develop innovative power electronics in the form of new current-source inverters (CSIs) that offer promising advantages over the dominant voltage-source inverter (VSI) topology. These CSIs, in turn, are extremely well-suited for integration into the housings of permanent magnet synchronous machines (PMSMs) to form integrated motor drives (IMDs). These new IMDs offer great promise for achieving major energy savings in a wide variety of applications that benefit from adjustable-speed control, including air conditioners, laundry appliances, industrial pumps/compressors, electric vehicles, and aerospace drives. WBG devices play a critical enabling role in these new IMDs because of their transformative features including much higher switching frequencies, lower losses, and compatibility with high operating temperatures. When incorporated into new CSI-based IMDs with PM machines, these WBG switches open the door to achieving major increases in power density, drive system efficiency, and fault tolerance, as well as substantial reductions in electromagnetic interference (EMI), manufacturing cost, and temperature-induced failures. The higher operating temperature capability of WBG devices compared to conventional silicon power devices is very appealing in IMD applications because the power electronics is mounted in close proximity to the motors which typically operate at temperatures well above the maximum limits of today’s silicon-based power electronics. This project has succeeded in designing, building, and testing multiple prototype versions of this CSI-IMD that have overcome many technical challenges in order to demonstrate the impressive performance improvements that can be achieved by the WBG-enabled CSI-IMD. The preliminary demo and bench-top versions of the current-source inverter developed during the first two years of the project were critical to laying the technical foundations for the 3 kW prototype CSI-IMD unit that was successfully built and tested during the third year. This prototype CSI-IMD unit was designed to fit within the housing envelope of the original permanent magnet (PM) synchronous machine in order to meet the demanding power density requirements that were set at the beginning of the project. All of the remaining performance objectives set for the prototype CSI-IMD unit including efficiency and electromagnetic interference (EMI) were also met. The last 18 months of the project were devoted to developing further enhancements of the WBG-enabled CSI-IMD technology that better prepare it for commercial production. More specifically, an upgraded version of the prototype CSI-IMD unit was developed that moved the power electronics into the same machine housing chamber as the motor, substantially raising the thermal demands on the power electronics. Tests with five different combinations of motor enclosure types and air cooling configurations were evaluated. Importantly, this work confirmed that the power electronics can deliver its full rated power and still operate well within its maximum temperature limits even for worst-case conditions when the housing is “totally-enclosed” without any openings for air to enter or exit the enclosure, and no blower/fan is provided to blow air over the outside surface of the enclosure. Reaching the full performance and energy-savings potential of this disruptive CSI-IMD motor drive technology is highly consistent with ARPA-E’s stated mission to “enhance the economic and energy security of the United States” while also supporting its commitment to “ensure that the U.S. maintains a technological lead in developing and deploying advanced energy technologies”. Follow-on projects are under way to explore the scalability of WBG-enabled CSI-IMD technology to 100 kW (peak) electric vehicle traction drives and fault-tolerant modular motor drives for future electrified aircraft propulsion applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2005

Nanostructure Engineered Chemical Sensors for Hazardous Gas and Vapor Detection

A nanosensor technology has been developed using nanostructures, such as single walled carbon nanotubes (SWNTs) and metal oxides nanowires or nanobelts, on a pair of interdigitated electrodes (IDE) processed with a silicon based microfabrication and micromachining technique. The IDE fingers were fabricated using thin film metallization techniques. Both in-situ growth of nanostructure materials and casting of the nanostructure dispersions were used to make chemical sensing devices. These sensors have been exposed to hazardous gases and vapors, such as acetone, benzene, chlorine, and ammonia in the concentration range of ppm to ppb at room temperature. The electronic molecular sensing in our sensor platform can be understood by electron modulation between the nanostructure engineered device and gas molecules. As a result of the electron modulation, the conductance of nanodevice will change. Due to the large surface area, low surface energy barrier and high thermal and mechanical stability, nanostructured chemical sensors potentially can offer higher sensitivity, lower power consumption and better robustness than the state-of-the-art systems, which make them more attractive for defense and space applications. Combined with MEMS technology, light weight and compact size sensors can be made in wafer scale with low cost.

Li, Jing↗
NASA NTRS2009

Carbon Nanotube Based Chemical Sensors for Space and Terrestrial Applications

A nanosensor technology has been developed using nanostructures, such as single walled carbon nanotubes (SWNTs), on a pair of interdigitated electrodes (IDE) processed with a silicon-based microfabrication and micromachining technique. The IDE fingers were fabricated using photolithography and thin film metallization techniques. Both in-situ growth of nanostructure materials and casting of the nanostructure dispersions were used to make chemical sensing devices. These sensors have been exposed to nitrogen dioxide, acetone, benzene, nitrotoluene, chlorine, and ammonia in the concentration range of ppm to ppb at room temperature. The electronic molecular sensing of carbon nanotubes in our sensor platform can be understood by intra- and inter-tube electron modulation in terms of charge transfer mechanisms. As a result of the charge transfer, the conductance of p-type or hole-richer SWNTs in air will change. Due to the large surface area, low surface energy barrier and high thermal and mechanical stability, nanostructured chemical sensors potentially can offer higher sensitivity, lower power consumption and better robustness than the state-of-the-art systems, which make them more attractive for defense and space applications. Combined with MEMS technology, light weight and compact size sensors can be made in wafer scale with low cost. Additionally, a wireless capability of such a sensor chip can be used for networked mobile and fixed-site detection and warning systems for military bases, facilities and battlefield areas.

Li, Jing↗
NASA NTRSDate not supplied

Recommendations For Developing Space Suit Integrated Food Systems and Delivering Nutrition Before, During, and After Lunar Eva

INTRODUCTION Artemis missions will include a higher tempo and frequency of extravehicular activities (EVAs) than any previous space program. Because of the physical demands expected from the crew, future space suit designs are required to incorporate nutritional support to the astronauts during lunar surface EVAs lasting longer than 4 hours. The purpose of this project was to provide recommendations to aid the development of an in-suit system that can adequately, safely, and acceptably deliver nutrition to a crewmember while confined to a space suit during EVA. METHODS Physiological, logistical, and engineering aspects of potential in-suit nutrition approaches were assessed through literature reviews, assessments of commercial off the shelf (COTS) foods, suit volumetric modeling, and feedback from subject matter experts and crewmembers. Key driving factors in the development of in-suit nutrition requirements included how much and what type of nutrition should be included, what food formulations are appropriate and safe, what are inherent limitations of space suits, what are the potential risks to the crewmember in the suit, and what practices and preferences from astronauts should be considered. Design references were conceptualized and assessed for strengths and limitations as potential in-suit nutrition systems for surface EVA. RESULTS Acute exogenous energy demands vary greatly depending on activity intensity and duration, and partial energy replenishment (i.e., 60–80 kcal∙hr-1 of EVA, or 460–680 kcal for EVAs lasting up to 8 hours) during activities could improve performance, safety, and recovery. COTS foods capable of providing these energy requirements exist; however, no COTS foods have been identified that pass NASA flight standards for microbiological safety and stability. In-suit nutrition delivery design references that were considered included in-suit concepts for a prefilled drink bag, a hydratable drink bag, and a solid food stick. In addition, a helmet feed port concept was considered for use with drink bags external to the suit. Volumetric models of the in-suit drink bag concepts, based on xEMU dimensions, indicate challenges of fitting formulations > 200 ml (equating to approximately 200 kcal). Astronaut feedback on the four concepts indicated that despite some individual preferences for inclusion of solid foods and helmet port designs, the prefilled drink bag concept was the most preferred. A prefilled drink bag can only be used if food safety and stability can be ensured, possibly requiring advancements in food delivery hardware. CONCLUSION The ability to meet the increased need for nutrition during surface EVAs through provision of nutrients in the suited configuration would benefit overall crew health, performance, and morale, and thus increase the likelihood of mission success. It is recommended that in-suit nutrition capabilities provide at least 400–600 kcal within the suit during EVAs lasting > 4 hours and that suit designs include a dedicated volume for food grade nutrition systems. The developed food system should either allow for 1) installation of prefilled (sealed sterile) liquid nutrition in the suit and provide a mechanism to break the seal at the time that consumption is desired or 2) demonstrate that the unsealed food product shelf life allows for safe consumption after at least 12 hours of EVA.

E L Dillon↗
NASA NTRSDate not supplied

Recommendations for Developing Space Suit Integrated Food Systems and Delivering Nutrition Before, During, and After Lunar EVA

INTRODUCTION Artemis missions will include a higher tempo and frequency of extravehicular activities (EVAs) than any previous space program. Because of the physical demands expected from the crew, future space suit designs are required to incorporate nutritional support to the astronauts during lunar surface EVAs lasting longer than 4 hours. The purpose of this project was to provide recommendations to aid the development of an in-suit system that can adequately, safely, and acceptably deliver nutrition to a crewmember while confined to a space suit during EVA. METHODS Physiological, logistical, and engineering aspects of potential in-suit nutrition approaches were assessed through literature reviews, assessments of commercial off the shelf (COTS) foods, suit volumetric modeling, and feedback from subject matter experts and crewmembers. Key driving factors in the development of in-suit nutrition requirements included how much and what type of nutrition should be included, what food formulations are appropriate and safe, what are inherent limitations of space suits, what are the potential risks to the crewmember in the suit, and what practices and preferences from astronauts should be considered. Design references were conceptualized and assessed for strengths and limitations as potential in-suit nutrition systems for surface EVA. RESULTS Acute exogenous energy demands vary greatly depending on activity intensity and duration, and partial energy replenishment (i.e., 60–80 kcal∙hr-1 of EVA, or 460–680 kcal for EVAs lasting up to 8 hours) during activities could improve performance, safety, and recovery. COTS foods capable of providing these energy requirements exist; however, no COTS foods have been identified that pass NASA flight standards for microbiological safety and stability. In-suit nutrition delivery design references that were considered included in-suit concepts for a prefilled drink bag, a hydratable drink bag, and a solid food stick. In addition, a helmet feed port concept was considered for use with drink bags external to the suit. Volumetric models of the in-suit drink bag concepts, based on xEMU dimensions, indicate challenges of fitting formulations > 200 ml (equating to approximately 200 kcal). Astronaut feedback on the four concepts indicated that despite some individual preferences for inclusion of solid foods and helmet port designs, the prefilled drink bag concept was the most preferred. A prefilled drink bag can only be used if food safety and stability can be ensured, possibly requiring advancements in food delivery hardware. CONCLUSION The ability to meet the increased need for nutrition during surface EVAs through provision of nutrients in the suited configuration would benefit overall crew health, performance, and morale, and thus increase the likelihood of mission success. It is recommended that in-suit nutrition capabilities provide at least 400–600 kcal within the suit during EVAs lasting > 4 hours and that suit designs include a dedicated volume for food grade nutrition systems. The developed food system should either allow for 1) installation of prefilled (sealed sterile) liquid nutrition in the suit and provide a mechanism to break the seal at the time that consumption is desired or 2) demonstrate that the unsealed food product shelf life allows for safe consumption after at least 12 hours of EVA.

space suit↗
DOE OSTI2024

Additive Manufacturing of Thermal Energy Storage Composites with Microencapsulated Phase Change Materials Supported in a Multi-Polymer Matrix

Advanced manufacturing techniques, such as additive manufacturing (AM), that can directly integrate phase change materials (PCMs) have garnered interest in recent years due to their potential for development of highly efficient thermal energy storage architectures. Complex, high surface area geometries embedded with PCMs that are only feasible with AM can improve thermal management with reduced material waste. Our work focuses on developing composite filaments with microencapsulated phase change materials (MEPCM) bound within a single or dual polymer matrix that can be processed through standard filament extruders and additively manufactured using off-the-shelf 3D printers. Polymer powders, rather than polymer pellets, were key to homogenously mixed filaments achieving high MEPCM loadings with no deterioration in thermal energy storage (TES) capability during extrusion. Composite filaments contain upwards of 60 wt% MEPCM and were printed without loss in feature resolution, print speed, or layer adhesion. Storage enthalpies of printed composites range from 100 - 130 kJ/kg, which were within 5% of the theoretical enthalpy based on weight fraction of MEPCM and maintained enthalpies within 1% over 500 thermal cycles. We can reliably manufacture low density, high surface area structures like 15% gyroid infill, along with dense, compact pucks at a 100% concentric infill. Prints were also scalable to a 900 cm3 honeycomb infill heat exchanger model that has an estimated energy storage capacity of 9 Wh.

3D printing↗
NASA NTRS1976

Two-dimensional radiant energy array computers and computing devices

Two dimensional digital computers and computer devices operate in parallel on rectangular arrays of digital radiant energy optical signal elements which are arranged in ordered rows and columns. Logic gate devices receive two input arrays and provide an output array having digital states dependent only on the digital states of the signal elements of the two input arrays at corresponding row and column positions. The logic devices include an array of photoconductors responsive to at least one of the input arrays for either selectively accelerating electrons to a phosphor output surface, applying potentials to an electroluminescent output layer, exciting an array of discrete radiant energy sources, or exciting a liquid crystal to influence crystal transparency or reflectivity.

Schaefer, D. H.↗
DOE OSTI2020

Simulating the Effects of Surface Energy Partitioning on Convective Organization: Case Study and Observations in the US Southern Great Plains

Realistic cloud-resolving simulations were performed to study the effects of surface energy partitioning (surface sensible and latent heat fluxes) on the organization of isolated convection into larger mesoscale convective systems (MCSs) near the US Southern Great Plains. The role of cold pools in mediating surface-convection interactions was explored. Better organized MCSs tended to occur in the experiments with perturbed wetter soil (and more active vegetation), regardless of the effects of soil moisture on the diurnal timing of convective triggering. Wetter soil led to shallower boundary layers and more convective available potential energy than drier soil. The roles of cold pools on convection are lifecycle-stage dependent: A dry surface allows more numerous colliding cold pools, thereby aiding in convective triggering by reducing entrainment in the early stages, and providing gust-front uplift in later stages. However, horizontal propagation of the cold-pool density current can outrun the convective system, creating a slantwise updraft and thus weakening the gust front uplift in later stages. This effect calls into question previous cold pool parameterizations, in which the gust front uplift is mainly proportional to the negative buoyancy of cold air. Finally, both the model and observation show an enhancement of surface latent heat flux during the passage of a gust front at night, suggesting that a positive feedback between the surface and convection helps MCSs to persist into the nighttime.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Processes at lithium-hydride/deuteride surfaces upon low energy impact of H/D

Sputtering, reflection, and retention processes at amorphous and crystalline lithium hydride surfaces due to impact of low energy (1–100 eV) hydrogen and deuterium atoms over the range of 0 o −85 o angle of incidence at 300 K surface temperature were investigated by atomistic computational methods. Classical molecular dynamics simulations were performed with improved reactive bond-order force field (ReaxFF) potentials that include long-range polarization effects. In addition to probabilities of surface processes, the energy and angular spectra of ejected particles were obtained. Comparison of these results with those previously obtained on pristine lithium surfaces indicates the importance of saturation of the Li surface and near-surface region with hydrogen. We show that such saturation, which is typical in both laboratory and fusion device experiments with lithium coating of the plasma-facing surfaces, significantly changes the surface processes with hydrogen irradiation in the understudied low-energy region of impact energies.

74 ATOMIC AND MOLECULAR PHYSICS↗