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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗
NASA NTRS2006

Feasibility Study of Jupiter Icy Moons Orbiter Permanent Magnet Alternator Start Sequence

The Jupiter Icy Moons Orbiter (JIMO) mission was a proposed, (recently cancelled) long duration science mission to study three moons of Jupiter: Callisto, Ganymede, and Europa. One design of the JIMO spacecraft used a nuclear heat source in conjunction with a Brayton rotating machine to generate electrical power for the electric thrusters and the spacecraft bus. The basic operation of the closed cycle Brayton system was as follows. The working fluid, a heliumxenon gas mixture, first entered a compressor, then went through a recuperator and hot-side heat exchanger, then expanded across a turbine that drove an alternator, then entered the cold-side of the recuperator and heat exchanger and finally returned to the compressor. The spacecraft was to be launched with the Brayton system off-line and the nuclear reactor shut down. Once the system was started, the helium-xenon gas would be circulated into the heat exchangers as the nuclear reactors were activated. Initially, the alternator unit would operate as a motor so as to drive the turbine and compressor to get the cycle started. This report investigated the feasibility of the start up sequence of a permanent magnet (PM) machine, similar in operation to the alternator unit, without any position or speed feedback sensors ("sensorless") and with a variable load torque. It is found that the permanent magnet machine can start with sensorless control and a load torque of up to 30 percent of the rated value.

Kenny, Barbara H.↗
DOE OSTI2026

Coupling of high-resolution mass spectrometer and photosynthesis system for comprehensive leaf volatile metabolite profiling

Background Leaf-level biogenic volatile organic compounds (BVOCs) emissions represent a major source of organic gases in the atmosphere, influencing both climate and air quality. These emissions are strongly driven by environmental perturbations, which affect individual plant- to ecosystem-level processes. Uncovering all the BVOCs and understanding how their emissions respond to altered environmental conditions provide critical insights into vegetation-driven changes in atmospheric chemistry. We developed a tandem instrumentation setup that integrates a proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS) with parts-per-trillion detection limits and a photosynthetic infrared gas exchange system for the untargeted survey of all the BVOCs. This novel system enables simultaneous, real-time monitoring of BVOC emissions and photosynthetic parameters at the leaf level, offering new opportunities to disentangle the physiological and environmental drivers of VOC release. Furthermore, we established the VOC Analysis and Processing Optimization Resource (VAPOR), an open-access software tool designed for rapid data post-processing and the analysis of the variability of hundreds of BVOCs. We assessed the performance of the tandem system under varying background conditions, using standard gas mixtures and a range of environmental factors. Results Blank emissions were substantially lower for major BVOCs (e.g., isoprene) compared to those observed in plant emissions. Despite this, the observation of background-level VOCs highlights the importance of routinely acquiring and accounting for blank measurements in analyses using the coupled instrumentation. Introduction of known VOC concentrations to the system demonstrated a linear response across different compounds with varying molecular compositions, indicating minimal gas loss regardless of chemical moieties within the coupled instrumentation. We applied the optimized system to investigate the physiological mechanisms driving BVOC emissions across different genotypes of poplar and pennycress. The high mass resolution capabilities of the PTR-ToF-MS, coupled with comprehensive VAPOR-driven data analysis, enabled the identification of several important BVOCs, including methanol and methanethiol; these BVOCs displayed substantial variation across pennycress genotypes and showed concentrations ~ 100–350% higher than the blank. Moreover, isoprene emissions varied significantly among poplar genotypes grown in different potting media. Conclusions Tandem instrumentation offers a powerful tool for profiling volatile molecular markers and elucidating their genetic and environmental underpinnings. This approach enhances our ability to predict BVOC emissions in response to genotype by environmental interactions and contributes to a deeper understanding of vegetation responses to environmental changes.

Biogenic volatile organic compounds↗
DOE OSTI2025

Influence of Mo- and Ga-Supported HZSM-5 Co-Catalyst Configuration in Microwave-Assisted Methane and Ethane Dehydroaromatization

Microwave (MW)-assisted dehydroaromatization (DHA) using an Mo-supported HZSM-5 catalyst (Mo/HZSM-5) enhances the value of natural gas resources by converting stranded or underutilized natural gas into value-added chemicals in modular microwave reactor systems. This approach offers the potential to generate economic value. However, natural gas mixtures often contain multiple components, including ethane (C2H6) and propane (C3H8), which complicate the reaction pathways. Ga-supported HZSM-5 (Ga/HZSM-5) catalysts are generally inactive toward CH4 but exhibit higher activity toward C2H6 and C3H8. Therefore, investigating the combination of Mo/HZSM-5 and Ga/HZSM-5 in various catalyst bed configurations is essential. This study explores different co-catalyst bed configurations and CH4/C2H6 feed compositions to determine the most effective way for enhanced natural gas conversion and benzene production.

cocatalyst bed configuration↗
NASA NTRS1992

Recent results from the University of Washington's 38 mm ram accelerator

The ram accelerator is a propulsive device that accelerates projectiles using gasdynamic cycles similar to those which generate thrust in airbreathing ramjets. The projectile, analogous to the centerbody of a ramjet, travels supersonically through a stationary tube containing a gaseous fuel and oxidizer mixture. The projectile itself carries no onboard propellant. A combustion zone follows the projectile and stabilizes the shock structure. The resulting pressure distribution continuously accelerates the projectile. Several modes of ram accelerator operation have been investigated experimentally and theoretically. At velocities below the Chapman-Jouguet (C-J) detonation speed of the propellant mixture, the thermally choked propulsion mode accelerates the projectiles. At projectile velocities between approximately 90 and 110 percent of the C-J speed, a transdetonative propulsion mode occurs. At velocities beyond 110 percent of the C-J speed, projectiles experience superdetonative propulsion. This paper presents recent experimental results from these propulsion modes obtained with the University of Washington's 38-mm bore ram accelerator. Data from investigations with hydrogen diluted-gas mixtures are also introduced.

De Turenne, J. A.↗
DOE OSTI2020

Mechanistic Understanding of Silver Sorbent Aging Processes in Off-Gas Treatment

The effect of aging in various off-gas streams including dry air, humid air, 1% NO/N 2 , 2% NO 2 /air, and a gas mixture consisting of 99.25% humid air (dew point: -15 °C), 0.25% NO/N 2 , and 0.5% NO 2 /air in terms of concentration on reduced silver exchanged mordenite (Ag 0 Z) and silver functionalized silica aerogel (Ag 0 -aerogel) were studied in this project. Utilizing simple and sophisticated experimental information combined with molecular and macroscopic mechanistic modeling, this project has significantly advanced the current understanding of aging for silver bearing adsorbents in nuclear-fuel-reprocessing off-gas streams. In addition, this project has produced models that can be utilized to predict the influence of adsorbent aging on the uptake kinetics and capacity of aged adsorbents for iodine and iodine-containing organic compounds. The results of the study have been published in the open literature, and can be used to help DOE better predict the removal of radioactive gases from nuclear-fuel-reprocessing off-gas streams.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2013

Commercial Non-Dispersive Infrared Spectroscopy Sensors for Sub-Ambient Carbon Dioxide Detection

Carbon dioxide produced through respiration can accumulate rapidly within closed spaces. If not managed, a crew's respiratory rate increases, headaches and hyperventilation occur, vision and hearing are affected, and cognitive abilities decrease. Consequently, development continues on a number of CO2 removal technologies for human spacecraft and spacesuits. Terrestrially, technology development requires precise performance characterization to qualify promising air revitalization equipment. On-orbit, instrumentation is required to identify and eliminate unsafe conditions. This necessitates accurate in situ CO2 detection. Recursive compensation algorithms were developed for sub-ambient detection of CO2 with commercial off-the-shelf (COTS) non-dispersive infrared (NDIR) sensors. In addition, the source of the exponential loss in accuracy is developed theoretically. The basis of the loss can be explained through thermal, Doppler, and Lorentz broadening effects that arise as a result of the temperature, pressure, and composition of the gas mixture under analysis. The objective was to develop a mathematical routine to compensate COTS CO2 sensors relying on NDIR over pressures, temperatures, and compositions far from calibration conditions. The routine relies on a power-law relationship for the pressure dependency of the sensors along with an equivalent pressure to account for the composition dependency. A Newton-Raphson iterative technique solves for actual carbon dioxide concentration based on the reported concentration. Moreover, first principles routines were established to predict mixed-gas spectra based on sensor specifications (e.g., optical path length). The first principles model can be used to parametrically optimize sensors or sensor arrays across a wide variety of pressures/temperatures/ compositions. In this work, heuristic scaling arguments were utilized to develop reasonable compensation techniques. Experimental results confirmed this approach and provided evidence that composition broadening significantly alters spectra when pressure is reduced. Consequently, a recursive compensation technique was developed with the Newton-Raphson method, which was subsequently verified through experimentation.

Swickrath, Michael J.↗
DOE OSTI2023

Evidence of plasma‐driven decomposition of common plastics exposed to an atmospheric nonthermal discharge

Abstract A nonthermal, pulsed spark discharge is applied to three polymer powders in Ar and Ar– gas mixtures. Hydrogen is introduced to assess plasma‐driven decomposition. Gaseous decomposition products, including methane, acetylene, and ethylene, are observed with Fourier‐transform infrared (FTIR). Surface modifications are observed on the residual polymer via attenuated total internal reflection‐FTIR. Time‐averaged rotational, vibrational, and excitation temperatures are characterized in the discharge. The plasma density is found to be around , with rotational and vibrational temperatures ranging from 1500 to 2200 K and an excitation temperature of 1–2 eV. While spark properties did not change with either gas composition or polymer composition, it was determined that the addition of hydrogen promoted higher concentrations of gaseous phase products (promoting hydrogenolysis).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermoacoustic Soret separation

In a fluid mixture in a channel with an axial time-averaged temperature gradient, high-amplitude oscillating flow can greatly increase the axial flux of thermal diffusion (Soret) separation of the components of the mixture. The enhancement occurs when the oscillating lateral temperature gradient greatly exceeds the axial gradient, causing a large oscillating concentration that can be favorably time-phased with the oscillating flow. This process can occur even with a negligible pressure oscillation or with a negligible temperature response to pressure, as is the case in most liquid solutions. The thermal boundary condition imposed by realistic solids on thermoacoustic liquids is imperfect, adding mathematical complications that are absent for typical gases, for which the solid surface is temporally isothermal. Compared with gas mixtures, the high Lewis number in typical liquid solutions reduces the separation flux associated with the time-averaged temperature gradient, but it also reduces the remixing associated with the time-averaged mole-fraction gradient. For large enough channels, the second-law separation efficiency is only slightly reduced from that of steady liquid Soret separation.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Phase equilibria in fluid mixtures at high pressures: The He-CH4 system

An experimental study of phase equilibria in the He-CH4 system was carried out over the temperature range 95 to 290 K and at pressures to 10,000 atm. The experimental results consist of equilibrium phase composition for twenty-eight isotherms in the region of coexistence of two fluid phases, together with the pressure-temperature trace of the three-phase boundary at which a CH4-rich solid phase is in equilibrium with the two fluid phases. The system exhibits a fluid-fluid phase separation which persists to temperatures and pressures beyond the range of this experiment. These results, together with those recently obtained for other binary systems, provide information about the form of phase diagrams for binary gas mixtures in the region of pressure induced phase transitions at high pressures. These findings are relevant to problems of deep atmosphere and interior structures in the outer planets.

Streett, W. B.↗
DOE OSTI2020

Determination of Mixed Gas Compressibility in Nuclear Fuel Rods

Gas behavior of mixed gas species becomes non-ideal at pressures above atmospheric. Theoretical calculations of the behavior can be calculation intensive and may diverge from actual values depending on the model used and its applicability to the range of interest. Experimental data is lacking in the literature for varied pressure compressibility factors (Z) for most pure gas systems and even more rare for mixed gas species. This work covers the experimental determination of compressibility factors for pure Ar and a 1:1 Xe:He gas mixture. The deviation from ideal at elevated pressures can lead to incorrect results when not accounted for during expansion experiments such as those used when characterizing the pressure in nuclear fuel rods.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1999

NASA GRC's High Pressure Burner Rig Facility and Materials Test Capabilities

The High Pressure Burner Rig (HPBR) at NASA Glenn Research Center is a high-velocity. pressurized combustion test rig used for high-temperature environmental durability studies of advanced materials and components. The facility burns jet fuel and air in controlled ratios, simulating combustion gas chemistries and temperatures that are realistic to those in gas turbine engines. In addition, the test section is capable of simulating the pressures and gas velocities representative of today's aircraft. The HPBR provides a relatively inexpensive. yet sophisticated means for researchers to study the high-temperature oxidation of advanced materials. The facility has the unique capability of operating under both fuel-lean and fuel-rich gas mixtures. using a fume incinerator to eliminate any harmful byproduct emissions (CO, H2S) of rich-burn operation. Test samples are easily accessible for ongoing inspection and documentation of weight change, thickness, cracking, and other metrics. Temperature measurement is available in the form of both thermocouples and optical pyrometery. and the facility is equipped with quartz windows for observation and video taping. Operating conditions include: (1) 1.0 kg/sec (2.0 lbm/sec) combustion and secondary cooling airflow capability: (2) Equivalence ratios of 0.5- 1.0 (lean) to 1.5-2.0 (rich), with typically 10% H2O vapor pressure: (3) Gas temperatures ranging 700-1650 C (1300-3000 F): (4) Test pressures ranging 4-12 atmospheres: (5) Gas flow velocities ranging 10-30 m/s (50-100) ft/sec.: and (6) Cyclic and steady-state exposure capabilities. The facility has historically been used to test coupon-size materials. including metals and ceramics. However complex-shaped components have also been tested including cylinders, airfoils, and film-cooled end walls. The facility has also been used to develop thin-film temperature measurement sensors.

Robinson, R. Craig↗
DOE OSTI2022

Altering the Supply of Shielding Gases to Fabricate Distinct Geometry in GMA Additive Manufacturing

Wire arc additive manufacturing (WAAM) is the process by which large, metallic structures are built, layer-by-layer, using a welding arc to melt wire feedstock. In this process, the proper selection of the shielding gas plays a vital role in the achievement of structurally acceptable part geometries and quality surface finishes. In this study, the authors used either a ternary mix (He, Ar and CO 2 ) or a binary mix (Ar and CO 2 ) of shielding gases to deposit wall geometries using an open loop-controlled WAAM system developed at Oak Ridge National Laboratory’s Manufacturing Demonstration Facility. The binary blend produced a wider and shorter geometry, while the ternary blend resulted in a narrower build that was more equivalent to the CAD geometry. The data indicated that the binary blend provided a higher oxygen concentration in the weld as compared to that of the ternary blend. The results imply that the arc characteristics and heat input had a significantly higher impact on the weld penetration than the surface tension effect of surface active elements. This was further verified by developing and applying a high-fidelity computational fluid dynamics (CFD) model of the thermophysical properties of gas mixtures. The results from the model showed that, while the influence of increased oxygen concentration on the surface tension for the binary blend led to a deeper penetration, the ternary blend gave rise to heat flux to the workpiece.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Synthesis of Large Molecules in Cometary Ice Analogs: Physical Properties Related to Self-Assembly Processes

The combination of realistic laboratory simulations and infrared observations have revolutionized our understanding of interstellar dust and ice-the main component of comets. Since comets and carbonaceous micrometeorites may have been important sources of volatiles and carbon compounds on the early Earth, their organic composition may be related to the origin of life. Ices on grains in molecular clouds contain a variety of simple molecules. The D/H ratios of the comets Hale-Bopp and Hyakutake are consistent with a primarily interstellar ice mixture. Within the cloud and especially in the presolar nebula through the early solar system, these icy grains would have been photoprocessed by the ultraviolet producing more complex species such as hexamethylenetetramine, polyoxymethylenes, and simple keones. We reported at the 1999 Bioastronomy meeting laboratory simulations studied to identify the types of molecules which could have been generated in pre-cometary ices. Experiments were conducted by forming a realistic interstellar mixed-molecular ice (H2O, CH3OH, NH3 and CO) at approximately 10 K under high vacuum irradiated with UV light from a hydrogen plasma lamp. The gas mixture was typically 100:50:1:1, however when different ratios were used material with similar characteristics was still produced. The residue that remained after warming to room temperature was analyzed by HPLC, and by several mass spectrometric methods. This material contains a rich mixture of complex compounds with mass spectral profiles resembling those found in IDPs and meteorites. Surface tension measurements show that an amphiphilic component is also present. These species do not appear in various controls or in unphotolyzed samples. Residues from the simulations were also dispersed in aqueous media for microscopy. The organic material forms 10-40 gm diameter droplets that fluoresce at 300-450 nm under UV excitation. These droplets have a morphology and internal structure which appear strikingly similar to those produced by extracts of the Murchison meteorite. Together, these results suggest a link between organic material photochemically synthesized on the cold grains in dense, interstellar molecular clouds and compounds that may have contributed to the organic inventory of the primitive Earth. For example, the amphiphilic properties of such compounds permit self-assembly into the membranous boundary structures that required for the first forms of cellular life.

Dworkin, Jason P.↗
DOE OSTI2026

Decomposition of methane diluted with inert gas in an RF discharge cell

Decomposition of methane using non-thermal plasmas is an attractive route for producing hydrogen-rich gases and valuable carbon nanomaterials. Understanding how plasma discharge modes influence methane decomposition in optimizing plasma-assisted chemical conversion remains unexplored. This study explores the coupling between the discharge structure and product selectivity in RF capacitively coupled discharges operating in methane/inert gas mixtures in the pressure range of 2–3 torr. Under our experimental conditions the discharge exhibits mode transitions from uniform to striated in Ar and Kr and from diffuse to contracted in Ar and Kr with <5% CH 4 . The discharges in He and Ne remained uniform under our operating conditions, and their mixtures with CH 4 remained diffuse. A 0-d model for Ar/CH 4 discharge established a threshold for contraction while also asserting the importance of Ar$^{*}_{\textrm{m}}$ in the dissociation and ionization processes. The highest degree of methane decomposition, >99.7% with the main products of acetylene and graphitized solid carbon was achieved in the contracted discharge mode for both Kr or Ar with ⩽5% CH 4 . We demonstrate that contraction can play a crucial role in the effective decomposition of methane with value-added products and that both the electronic and thermal properties of plasma gas are responsible for this effect.

RF plasma↗
NASA NTRS1992

Investigation of advanced propulsion technologies: The RAM accelerator and the flowing gas radiation heater

The two principal areas of advanced propulsion investigated are the ram accelerator and the flowing gas radiation heater. The concept of the ram accelerator is presented as a hypervelocity launcher for large-scale aeroballistic range applications in hypersonics and aerothermodynamics research. The ram accelerator is an in-bore ramjet device in which a projectile shaped like the centerbody of a supersonic ramjet is propelled in a stationary tube filled with a tailored combustible gas mixture. Combustion on and behind the projectile generates thrust which accelerates it to very high velocities. The acceleration can be tailored for the 'soft launch' of instrumented models. The distinctive reacting flow phenomena that have been observed in the ram accelerator are relevant to the aerothermodynamic processes in airbreathing hypersonic propulsion systems and are useful for validating sophisticated CFD codes. The recently demonstrated scalability of the device and the ability to control the rate of acceleration offer unique opportunities for the use of the ram accelerator as a large-scale hypersonic ground test facility. The flowing gas radiation receiver is a novel concept for using solar energy to heat a working fluid for space power or propulsion. Focused solar radiation is absorbed directly in a working gas, rather than by heat transfer through a solid surface. Previous theoretical analysis had demonstrated that radiation trapping reduces energy loss compared to that of blackbody receivers, and enables higher efficiencies and higher peak temperatures. An experiment was carried out to measure the temperature profile of an infrared-active gas and demonstrate the effect of radiation trapping. The success of this effort validates analytical models of heat transfer in this receiver, and confirms the potential of this approach for achieving high efficiency space power and propulsion.

Bruckner, A. P.↗
DOE OSTI2020

Mechanistic aspects of plasma-enhanced catalytic methane decomposition by time-resolved operando diffuse reflectance infrared Fourier transform spectroscopy

To study mechanistic aspects of plasma-enhanced catalysis, methane is decomposed by a supported Ni catalyst assisted by an Ar/O 2 atmospheric pressure plasma jet (APPJ). Here, the time-resolved surface response of the Ni catalyst is investigated by operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) using various experimental settings. Catalyst temperatures of room temperature (RT) and 500 °C and nozzle-catalyst surface distances of 3, 5 and 8 mm were examined, and the amount of O 2 of the Ar/O 2 gas mixture flowing through the APPJ was either 0 or 0.5%. A synergistic effect of surface bonded C-O was observed during the exposure of the Ni catalyst to the APPJ for low oxygen operating conditions (pure Ar jet). Surface bonded C-O formed only when there was plasma present and the C-O signal was enhanced for higher catalyst temperature. When the supported Ni catalyst was subjected to the plasma-generated particle fluxes using highly oxidizing conditions, the presence of surface bonded C-O was suppressed. The plasma-catalytic CO and CO 2 production in the gas phase measured downstream mirrored the surface behavior of C-O bonds when the plasma source operating condition was changed from a low oxygen portion to a high oxygen portion at high catalyst temperature (500 °C). CH n (n =1, 2, ) species on the catalyst surface were also studied by DRIFTS, and CHn destruction was found to correlate with C-O formation. In particular, the time-resolved CH n response showed a possible conversion process of CH n to C-O when the Ni catalyst was exposed to the plasma source. This finding may indicate a plasma-mediated regeneration of the catalyst by plasma-catalyst surface interactions.

42 ENGINEERING↗
DOE OSTI2021

Scaling of silicon nanoparticle growth in low temperature flowing plasmas

Low temperature plasmas are an emerging method to synthesize high quality nanoparticles (NPs). An established and successful technique to produce NPs is using a capacitively coupled plasma (CCP) in cylindrical geometry. Although a robust synthesis technique, optimizing or specifying NP properties using CCPs, is challenging. In this paper, results from a computational investigation for the growth of silicon NPs in flowing inductively coupled plasmas (ICPs) using Ar/SiH 4 gas mixtures of up to a few Torr are discussed. ICPs produce more locally constrained and quiescent plasma potentials. These positive plasma potentials produce an electrostatic trap for negatively charged NPs, which can significantly extend the residence time of NPs in the plasma, which in turn provides a controllable period for particle growth. The computational platforms used in this study consist of a two-dimensional plasma hydrodynamics model, a three-dimensional nanoparticle growth and trajectory tracking model, and a molecular dynamics simulation for deriving reactive sticking coefficients of silane radicals on Si NPs. Trends for the nanoparticle growth as a function of SiH 4 inlet fraction, gas residence time, energy deposition per particle, pressure, and reactor diameter are discussed. The general path for particle synthesis is the trapping of small NPs in the positive electrostatic potential, followed by entrainment in the gas flow upon reaching a critical particle size. Optimizing or controlling NP synthesis then depends on the spatial distribution of plasma potential, the density of growth species, and the relative time that particles spend in the electrostatic trap and flowing through higher densities of growth species upon leaving the trap.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗