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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 127 records · Page 7

Control of core–shell nanoparticles properties through plasma synthesis: a computational study

The improved properties of core–shell nanoparticles (CSNPs) over homogeneous nanoparticles (NPs) have expanded and diversified the applications of these nanomaterials. However, controlling the properties of CSNPs can be a challenging task. Low temperature plasmas have proven to be an effective method of producing NPs with uniform size and morphology, and high yield. That said, NP transport and growth dynamics are sensitive to LTP properties. We report on a computational investigation of the evolution of Ge–Si CSNP properties as a function of operating conditions through the modeling of a flowing, two-zone inductively coupled plasma (ICP) reactor. Ar/GeH 4 and Ar/SiH 4 gas mixtures were supplied to separate plasma zones at a pressure of 1 Torr to promote growth of Ge cores and Si shells. The negatively charged CSNPs are trapped electrostatically in the vicinity of the antennas where the plasma is generated and where the majority of particle growth occurs. Particles that grow to a critical size are then de-trapped by fluid drag due to neutral gas flow. A two-dimensional hybrid plasma model coupled with a three-dimensional kinetic NP transport model were utilized to resolve plasma chemistry and NP growth processes that take place on distinct timescales. The trends in CSNP properties and trapping mechanisms associated with flow rate, applied ICP power and inlet precursor fraction are discussed. While the spatial distribution of plasma produced radical species can have significant impact on the NP growth process, the NP transport dynamics are what ultimately dictates the growth environment that is unique to each particle and so determines their final dimension and composition. The key to optimizing reactor conditions involves controlling the spatial density of growth species and plasma profile as a means to tailor particle trapping dynamics suitable to produce CSNPs for a specific application.

36 MATERIALS SCIENCE↗

Modeling plasma-induced surface charge effects on CO 2 activation by single atom catalysts supported on reducible and irreducible metal oxides

Abstract The accumulation of negative surface charge on catalytic surfaces in the presence of low-temperature plasma (LTP) could influence catalytic performance. However, it is difficult to disentangle the role of surface charging and other LTP catalytic effects in experiment. Herein, we use density functional theory (DFT) modeling to understand the effect of plasma-induced surface charging on CO 2 activation by atomically dispersed single atom (SA) catalysts on both reducible and irreducible metal oxide supports. We model CO 2 adsorption strength and CO 2 dissociation barriers for Co 1 , Ni 1 , Cu 1 , Rh 1 , Pd 1 , and Ag 1 SAs on both reducible and irreducible supports, namely, CeO 2 (100), TiO 2 (101), and γ -Al 2 O 3 (110), to elucidate trends. We find that accumulated surface charge on the SA increases the CO 2 adsorption strength and decreases the CO 2 dissociation barrier for all studied SA/support combinations. For both charged and uncharged (neutral) systems, SAs on the reducible CeO 2 (100) support generally adsorb CO 2 more weakly compared to when on irreducible supports like γ -Al 2 O 3 (110). SAs on γ -Al 2 O 3 (110) typically have larger barriers for CO 2 dissociation for both charged and uncharged systems compared to TiO 2 (101) and CeO 2 (100). The magnitude of surface charging effects on CO 2 binding energies and dissociation barriers depends sensitively on both the SA and the support. In some cases, the CO 2 activation trends qualitatively change between neutral and charged systems for a fixed SA across different supports. This DFT modeling study demonstrates that surface charging should be considered in strong electric fields because it can have a large effect on molecule adsorption and bond-breaking on catalytic surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental observation and numerical investigation of filamentary structures in magnetized plasmas

Filamentary structures in low-pressure, low-temperature plasmas are produced when strong magnetic fields are applied parallel to the electric field defined by parallel electrodes. Filamentary structures are regions within the plasma that have distinct properties such as optical brightness and extend along the magnetic field lines. In our experiments, an argon, radio frequency discharge is exposed to a strong background magnetic field in the magnetized dusty plasma experiment at Auburn University. Different forms of filamentary structures emerge in the plasma such as columns, target, or spiral-like structures. To investigate the origin and the characteristics of these patterns, we have developed a three-dimensional fluid model that can reproduce the experimental observations which enables us to investigate the underlying mechanisms of the filamentation process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Research briefing on contemporary problems in plasma science

An overview is presented of the broad perspective of all plasma science. Detailed discussions are given of scientific opportunities in various subdisciplines of plasma science. The first subdiscipline to be discussed is the area where the contemporary applications of plasma science are the most widespread, low temperature plasma science. Opportunities for new research and technology development that have emerged as byproducts of research in magnetic and inertial fusion are then highlighted. Then follows a discussion of new opportunities in ultrafast plasma science opened up by recent developments in laser and particle beam technology. Next, research that uses smaller scale facilities is discussed, first discussing non-neutral plasmas, and then the area of basic plasma experiments. Discussions of analytic theory and computational plasma physics and of space and astrophysical plasma physics are then presented.

Source record↗

Plasma-assisted atomic layer etching of single-crystal diamond

Applications of near-surface nitrogen-vacancy (NV) centers in diamond are often limited by surface defects created during processing. Understanding and controlling plasma-induced surface damage is important for preserving the optical and spin properties of diamond NV centers. We report molecular dynamics simulations of a novel form of plasma-aided atomic layer etching of diamond. In this proposed scheme, the initial surface modification step consists of Ar + ion bombardment. This creates an amorphous layer at the surface, the thickness of which is controlled by the ion energy. Amorphization is known to help smooth the surface, at least locally, and would also serve to sputter clean an initially contaminated surface. A second step impacts the amorphous carbon layer with O + between about 1 and 5 eV. Simulations show that this energy range will remove the amorphous carbon but will not etch the underlying diamond. Though this energy range is not trivial to achieve in a conventional low-temperature plasma, potential methods for creating these low-energy O + ions are discussed. In addition to a-C etching, the O + impacts are predicted to remove any isolated (100) diamond terraces by selectively attacking the edges of the terraces. The proposed atomic layer etching (ALE) approach reverses the conventional ALE sequence in which the surface modification step is usually chemical modification (oxidation in this case), followed by a removal step using Ar + impacts. This plasma ALE procedure is predicted to create a diamond surface that is atomically flat and defect free.

Draney, J. S. [Princeton University, NJ (United St↗

Diagnostics of plasma–liquids systems: Challenges and their mitigation

This article will review two popular methods of laser diagnostics in a plasma–liquid system and generally in low-temperature plasmas. These are Thomson scattering and laser-induced fluorescence. Setting up the plasma–liquid interaction experiment will be described while stressing the important points for laser diagnostics and maintaining conditions for correct and repeatable measurements. In this work, I will discuss the caveats that are encountered when measuring an inherently unstable and collisional system, such as plasma interacting with the liquid and how these challenges impact that data analysis and calibration efforts for these two-diagnostic approaches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Non-Equilibrium Processes, Stability, Design and Control of Pulsed Plasmas for Materials Processing

The energy and angle of impact of ions, interspersed with fluxes of neutral radicals, on the surface of wafers during plasma materials processing are critical parameters for the fabrication of microelectronic devices, nanostructure materials and biocompatible materials. This sensitivity extends to nearly all applications of plasmas to materials processing and surface modification. Low temperature plasmas for plasma materials processing have traditionally used continuously excited plasmas. However, pulsed plasma processing is an enabling technology for achieving finer resolution of microelectronics fabrication and for producing unique surface properties in a wide range of applications. This research project is addressing fundamental plasma physics issues in materials processing – the control of pulsed plasmas and the means for optimizing plasma produced reactant fluxes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Design Considerations for Controlling Silicon Nanoparticle Nucleation and Growth in a Nonthermal Plasma

Controlling the nucleation and growth of nanoparticles in low temperature plasma systems is imperative for controlling nanoparticle size distributions; and for some applications such as deposition and etching in microelectronic processing, preventing particle contamination. In this work, silicon nanoparticle (NP) production from silane is used as a model system to investigate the nucleation process. Although the mechanisms responsible for silicon NP nucleation and growth have been studied, it is unclear how controllable system parameters (e.g., pressure, system geometry, and gas composition) can be used to inhibit or promote NP formation. For example, the transport of reactive silane species is expected to significantly affect the feed fraction of silane required to nucleate silicon NP (the nucleation onset fraction) due to losses at the reactor walls. In this work, NP mass density was determined as a function of system pressure, gas composition, and reactor diameter for a tubular flow-through radiofrequency (RF) plasma using Ar/H2/He/SiH4 gas mixtures. A quartz crystal microbalance (QCM) impactor was developed to measure the total aerosol mass density downstream of the plasma and thereby identify the nucleation onset and its dependence on process parameters. Finally, a reaction mechanism was developed and incorporated into a global plasma chemistry model to better understand the nucleation onset and NP growth.

36 MATERIALS SCIENCE↗

Machine Learning of Plasma Science for Next Generation Microelectronics (Project Final Report)

Low temperature plasmas (LTPs) are an enabling technology behind reducing device dimensions and the continuation of Moore’s Law. It is estimated that 40-45% of all process steps necessary to manufacture semiconductor devices involve LTPs. However, challenges in plasma process design and continuous incorporation of novel materials for new device architectures are pushing the limits of what is possible with current plasma technology. For example, creating higher aspect ratio structures and etching features at the atomic scale both require finer control of the ion energy/velocity at wafer surfaces. To support these types of future innovations in the plasma processing systems that Sandia and the DOE rely upon, we have developed novel diagnostics, simulations, and machine learning capabilities to discover, characterize, and predict plasma phenomena affecting the ion energy/velocity distribution function (IEDF). These efforts also supported research program development and external collaboration with industry and academia through Sandia’s Plasma Research Facility (PRF). This report will focus on the following topics and accomplishments of this three year LDRD project, briefly summarized.

42 ENGINEERING↗

Application of molecular convergent close-coupling cross sections in a collisional radiative model for the triplet system of molecular hydrogen

Collisional radiative (CR) models for molecular hydrogen are of high relevance for performing qualitative and quantitative analysis of excited-state population densities measured in plasmas or predicting the dependence of plasma emission on parameter variations. Although the development of such models for H 2 started decades ago, major uncertainties still exist regarding the most important set of input parameters, namely the cross sections for electron-impact excitation. The deviations between cross sections from different datasets are particularly pronounced in the energy region close to the threshold energy, strongly increasing the uncertainty of CR models applied to low-temperature plasmas. This paper presents experimental validation of a set of newly calculated non ro-vibrationally resolved electron-impact cross sections calculated for the triplet system of H 2 using the molecular convergent close-coupling method in the adiabatic-nuclei formulation. These cross sections are implemented into a CR model based on the flexible solver Yacora. A first comparison of CR calculations with the different datasets to experimentally-determined population densities is performed at a planar ICP discharge for varying pressure (between 1 and 10 Pa) and RF power (between 700 and 1100 W). For the experimentally-accessible electron temperature and density range (2.5–10 eV and 1.8–3.3 × 10 16 m –3 , respectively), very good agreement between the model and experiment is obtained using the new data set, in contrast to previously used cross sections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multidimensional modeling of non-equilibrium plasma generated by a radio-frequency corona discharge

Low-temperature plasma (LTP) ignition concepts rely on the production of radical and charged species to speed up the onset of combustion in spark-ignition engines. These features are responsible for the superior performance of LTP igniters under extremely dilute combustion operation that is not achievable by conventional spark igniters. Additionally, LTP discharges extend the lifetime of the igniters, due to the avoidance of spark processes. For these reasons, the engine research community and the automotive industry have shown growing interest in this technology in the recent years. As of today, computational fluid-dynamics (CFD) codes typically used by the multi-dimensional engine modeling community do not have reliable models to describe LTP ignition processes. One key missing piece of information is the physical and chemical properties of the plasma and their effect on combustion ignition. Most non-equilibrium plasma simulations reported in literature are based on simplified, canonical geometries, with simple discharge excitation schemes. Here we conduct multi-dimensional modeling of the non-equilibrium plasma generated by an application-relevant radio-frequency (RF) corona discharge in air. Three test cases are simulated, characterized by different environmental pressure levels and peak electrode voltage values at room temperature. Streamer penetration, electron number density, atomic oxygen production, and bulk gas temperature distribution in the first 10 sinusoidal pulses are presented and discussed. This model can be used as a key tool for an in-depth understanding of RF-corona discharge for automotive applications and provides the basis for future implementations of dedicated LTP ignition models in CFD codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ionization wave propagation in a He plasma jet in a controlled gas environment

Characterizing ionization wave propagation in low temperature plasma jets is critical to predicting production of reactive species and plasma–surface interactions for biomedical applications and surface functionalization. In this work, results from optical emission and laser induced fluorescence measurements of the ionization wave in a He plasma jet operating in a controlled gas environment are discussed and used for comparison with numerical modeling. Additionally, the ionization wave was observed using ICCD (Intensified Charge Coupled Device) imaging and characterized by time and spatially resolved electron density measurements using laser-collision-induced fluorescence. The plasma jet was initially characterized using pure He (nominally at 200 Torr), while varying pressure and voltage. When operating in pure He, the ionization wave broadly expands exiting the plasma tube. Increasing the operating pressure reduces the speed and isotropic expansion of the ionization wave. Furthermore, the jet operated with a humid He shroud was also studied. The humid He shroud results in the electron density increasing and having an annular profile due to the lower ionization potential of H2O compared to He and localized photoionization in the mixing region. Numerical modeling highlighted the importance of resonance radiation emitted by excited states of He, photoelectron emission from the quartz tube, and the kinetic behavior of the electrons produced by photoionization ahead of the ionization front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Plasma chemistry and organic synthesis

The characteristic features of chemical reactions using low temperature plasmas are described and differentiated from those seen in other reaction systems. A number of examples of applications of plasma chemistry to synthetic reactions are mentioned. The production of amino acids by discharge reactions in hydrocarbon-ammonia-water systems is discussed, and its implications for the origins of life are mentioned.

Tezuka, M.↗

Spatially resolved measurements of plasma ion velocity distributions in a dipole magnetic field

The equilibrium flows of a plasma discharge in a dipole magnetic field are a topic of interest in low temperature plasma physics. Experimentalists typically rely on probe-based and line-integrated diagnostic techniques in these environments to describe plasma behavior. Presented here are measurements of argon ion dynamics with laser induced fluorescence techniques to provide insight into plasma dynamics in dipole magnetic fields with nonperturbative, spatially localized measurements. Simulation results from a Lagrangian approach to track particle orbits are compared to measured density profiles and provide evidence to support the mechanism distinguishing experimental configurations is the initial approach of particles. Applying a negative DC bias to the magnet induces strong E×B flows around the magnet, even exceeding the ion acoustic speed as measured far from the magnet. A strong enough bias also produces two distinct ion populations and provides a method for controlling the density gradient on the equator.

McLaughlin, Jacob W. (ORCID:0000000152661888)↗

Solar Array at Very High Temperatures: Ground Tests

Solar array design for any spacecraft is determined by the orbit parameters. For example, operational voltage for spacecraft in Low Earth Orbit (LEO) is limited by significant differential charging due to interactions with low temperature plasma. In order to avoid arcing in LEO, solar array is designed to generate electrical power at comparatively low voltages (below 100 V) or to operate at higher voltages with encapsulated of all suspected discharge locations. In Geosynchronous Orbit (GEO) differential charging is caused by energetic electrons that produce differential potential between coverglass and conductive spacecraft body in a kilovolt range. In such a case, weakly conductive layer over coverglass (ITO) is one of possible measures to eliminate dangerous discharges on array surface. Temperature variations for solar arrays in both orbits are measured and documented within the range of -150 C +110 C. This wide interval of operational temperatures is regularly reproduced in ground tests with radiative heating and cooling inside shroud with flowing liquid nitrogen. The requirements to solar array design and tests turn out to be more complicated when planned trajectory crosses these two orbits and goes closer to Sun. Conductive layer over coverglass causes sharp increase in parasitic current collected from LEO plasma, high temperature may cause cracks in encapsulating material (RTV), radiative heating of coupon in vacuum chamber becomes practically impossible above 150 C, conductivities of glass and adhesive go up with temperature that decrease array efficiency, and mechanical stresses grow up to critical magnitudes. A few test arrangements and respective results are presented in current paper. Coupons were tested against arcing in simulated LEO and GEO environments under elevated temperatures up to 200 C. The dependence of leakage current on temperature was measured, and electrostatic cleanness was verified for coupons with antireflection (AR) coating over ITO layer.

differential charging↗

Solar Array at Very High Temperatures: Ground Tests

Solar array design for any spacecraft is determined by the orbit parameters. For example, operational voltage for spacecraft in Low Earth Orbit (LEO) is limited by significant differential charging due to interactions with low temperature plasma. In order to avoid arcing in LEO, solar array is designed to generate electrical power at comparatively low voltages (below 100 volts) or to operate at higher voltages with encapsulation of all suspected discharge locations. In Geosynchronous Orbit (GEO) differential charging is caused by energetic electrons that produce differential potential between the coverglass and the conductive spacecraft body in a kilovolt range. In such a case, the weakly conductive layer over coverglass, indium tin oxide (ITO) is one of the possible measures to eliminate dangerous discharges on array surface. Temperature variations for solar arrays in both orbits are measured and documented within the range of minus150 degrees Centigrade to plus 1100 degrees Centigrade. This wide interval of operational temperatures is regularly reproduced in ground tests with radiative heating and cooling inside a shroud with flowing liquid nitrogen. The requirements to solar array design and tests turn out to be more complicated when planned trajectory crosses these two orbits and goes closer to the Sun. The conductive layer over coverglass causes a sharp increase in parasitic current collected from LEO plasma, high temperature may cause cracks in encapsulating (Room Temperature Vulcanizing (RTV) material; radiative heating of a coupon in vacuum chamber becomes practically impossible above 1500 degrees Centigrade; conductivities of glass and adhesive go up with temperature that decrease array efficiency; and mechanical stresses grow up to critical magnitudes. A few test arrangements and respective results are presented in current paper. Coupons were tested against arcing in simulated LEO and GEO environments under elevated temperatures up to 2000 degrees Centigrade. The dependence of leakage current on temperature was measured, and electrostatic cleanness was verified for coupons with antireflection (AR) coating over the indium tin oxide (ITO) layer.

differential charging↗