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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Adsorptive behavior of poly (vinylidene fluoride) membranes for the recovery of lignin-derived hydrophobic deep eutectic solvents

Abstract Recently, membrane technology has gained significant traction as an energy-efficient alternative to traditional thermal processes for solvent recovery. Deep eutectic solvents (DESs) have emerged as sustainable alternatives to conventional organic solvents, yet a systematic methodology for selecting compatible membrane materials for their recovery remains underdeveloped. This study established a predictive framework for membrane material selection in hydrophobic DES applications using Hansen Solubility Parameters (HSP) with inverted criteria targeting materials with relative energy difference (RED) values greater than 1.0. Flat sheet membranes were fabricated via the non-solvent induced phase separation (NIPS) technique. Four NIPS fabricated polymer membranes were evaluated: polysulfone, cellulose acetate, polyvinylidene fluoride (PVDF) fabricated with polyethylene glycol (PEG) as a pore-forming agent, and polybenzimidazole (PBI). The HSP approach successfully predicted membrane-solvent compatibility, with polysulfone (RED = 0.6) and cellulose acetate (RED = 0.9) dissolving completely within 24 h, while PVDF (RED = 1.9) and PBI (RED = 1.1) maintained structural integrity throughout a 7-day exposure period. Furthermore, PVDF demonstrated superior performance with minimal weight gain (3.0%), hydrophobic surface characteristics (122° water contact angle), and enhanced mechanical properties following DES exposure. Comprehensive chemical and morphological characterization confirmed PVDF’s chemical stability and revealed a surface-selective interaction mechanism involving simultaneous PEG (pore-forming agent) extraction and DES component adsorption. Adsorption kinetics followed pseudo-first-order behavior with reversible characteristics, best described by the Temkin isotherm model (R² = 0.9987). PVDF membranes-maintained separation functionality with average lignin rejection (75.2 ± 7.69%) and demonstrated filtration permeability of 2.0 ± 0.34 LMH/bar. This methodology provides a rational approach for membrane selection in emerging solvent systems, contributing to the advancement of sustainable separation technologies for DES-based biomass processing applications.

Science & Technology - Other Topics↗
NASA NTRS2003

Neural Flight Control System

The Neural Flight Control System (NFCS) was developed to address the need for control systems that can be produced and tested at lower cost, easily adapted to prototype vehicles and for flight systems that can accommodate damaged control surfaces or changes to aircraft stability and control characteristics resulting from failures or accidents. NFCS utilizes on a neural network-based flight control algorithm which automatically compensates for a broad spectrum of unanticipated damage or failures of an aircraft in flight. Pilot stick and rudder pedal inputs are fed into a reference model which produces pitch, roll and yaw rate commands. The reference model frequencies and gains can be set to provide handling quality characteristics suitable for the aircraft of interest. The rate commands are used in conjunction with estimates of the aircraft s stability and control (S&C) derivatives by a simplified Dynamic Inverse controller to produce virtual elevator, aileron and rudder commands. These virtual surface deflection commands are optimally distributed across the aircraft s available control surfaces using linear programming theory. Sensor data is compared with the reference model rate commands to produce an error signal. A Proportional/Integral (PI) error controller "winds up" on the error signal and adds an augmented command to the reference model output with the effect of zeroing the error signal. In order to provide more consistent handling qualities for the pilot, neural networks learn the behavior of the error controller and add in the augmented command before the integrator winds up. In the case of damage sufficient to affect the handling qualities of the aircraft, an Adaptive Critic is utilized to reduce the reference model frequencies and gains to stay within a flyable envelope of the aircraft.

Gundy-Burlet, Karen↗
DOE OSTI2019

Self-Passivation of 2D Ruddlesden–Popper Perovskite by Polytypic Surface PbI 2 Encapsulation

Two-dimensional Ruddlesden–Popper (2D RP) halide perovskites, C 2 MA n–1 Pb n I 3n+1 (C = bulky ammonium cation; MA = methylammonium) with low n-members (n < 5), have been garnering sensational attention for photovoltaic and optoelectronic applications because of the long carrier diffusion lengths, long-term stability, and tunable bandgap. Yet, the surface modification of 2D RP under kinetic particle irradiation, such as light or electron irradiation, is ambiguous, even though it is imperative to elucidate long-stabilized conversion efficiency. Herein, we present molecular-scale observations of dynamic surface reconstruction of BA 2 MA 2 Pb 3 I 10 (n = 3) 2D RP induced by the electron beam. The surface dynamics reveal lateral growth of polytypic PbI 2 with 3R, 4H, and 2H structures at the edge and surface of the 2D perovskite, accompanied by simultaneous annihilation at the other edges. Local radiolysis occurs dominantly by the internal energy increase of electron momentum transfer, which triggers a sequential layer-by-layer degradation into PbI 2 . Here, in situ observation of the polytypic PbI 2 growth at the whole surface and edges of 2D RP under electron irradiation elucidates how the outer PbI 2 self-passivation can protect inner 2D RP, causing longer operando stability.

2D Ruddlesden-Popper halide perovskite↗
DOE OSTI2021

Improved Rate for the Oxygen Reduction Reaction in a Sulfuric Acid Electrolyte using a Pt(111) Surface Modified with Melamine

The feasible commercialization of alkaline, phosphoric acid and polymer electrolyte membrane fuel cells depends on the development of oxygen reduction reaction (ORR) electrocatalysts with improved activity, stability, and selectivity. The rational design of surfaces to ensure these improved ORR catalytic requirements relies on the so-called "descriptors" (e.g., the role of covalent and noncovalent interactions on platinum surface active sites for ORR). Here, we demonstrate that through the molecular adsorption of melamine onto the Pt(111) surface [Pt(111)-M ad ], the activity can be improved by a factor of 20 compared to bare Pt(111) for the ORR in a strongly adsorbing sulfuric acid solution. Additionally, the M ad moieties act as "surface-blocking bodies," selectively hindering the adsorption of (bi)sulfate anions (well-known poisoning spectator of the Pt(111) active sites) while the ORR is unhindered. This modified surface is further demonstrated to exhibit improved chemical stability relative to Pt(111) patterned with cyanide species (CN ad ), previously shown by our group to have a similar ORR activity increase compared to bare Pt(111) in a sulfuric acid electrolyte, with Pt(111)-M ad retaining a greater than ninefold higher ORR activity relative to bare Pt(111) after extensive potential cycling as compared to a greater than threefold higher activity retained on a CN ad -covered Pt(111) surface. We suggest that the higher stability of the Pt(111)-M ad interface stems from melamine's ability to form intermolecular hydrogen bonds, which effectively turns the melamine molecules into larger macromolecular entities with multiple anchoring sites and thus more difficult to remove.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Multifunctional Protocells for Enhanced Penetration in 3D Extracellular Tumoral Matrices

The high density of the extracellular matrix in solid tumors is an important obstacle to nanocarriers for reaching deep tumor regions and has severely limited the efficacy of administrated nanotherapeutics. The use of proteolytic enzymes prior to nanoparticle administration or directly attached to the nanocarrier surface has been proposed to enhance their penetration, but the low in vivo stability of these macromolecules compromises their efficacy and strongly limits their application. Herein, we have designed a multifunctional nanocarrier able to transport cytotoxic drugs to deep areas of solid tumors and once there, to be engulfed by tumoral cells causing their destruction. This system is based on mesoporous silica nanocarriers encapsulated within supported lipid bilayers (SLBs). The SLB avoids premature release of the housed drug while providing high colloidal stability and an easy to functionalize surface. The tumor penetration property is provided by attachment of engineered polymeric nanocapsules that transport and controllably unveil and release the proteolytic enzymes that in turn digest the extracellular matrix, facilitating the nanocarrier diffusion through the matrix. Additionally, targeting properties were endowed by conjugating an antibody specific to the investigated tumoral cells to enhance binding, internalization, and drug delivery. This multifunctional design improves the therapeutic efficacy of the transported drug as a consequence of its more homogeneous distribution throughout the tumoral tissue.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Structural chemistry of penta- and hexanitrato thorium($\tiny{IV}$) complexes isolated using N–H donors

In this study, a series of fifteen tetravalent thorium phases were prepared. The compounds were isolated from acidic aqueous nitrate solutions using protonated nitrogen heterocycles of varying hydrogen-bond donation strength. Structural analysis via single crystal X-ray diffraction showed that the structures are built from pentanitrato, [Th(NO 3 ) 5 (H 2 O) 2 ] 1- , and hexanitrato, [Th(NO 3 ) 6 ] 2- , molecular units, with the latter being far more prevalent in the solid state. The vibrational properties of the compounds were examined using Raman and IR spectroscopy; the spectra are dominated by stretches characteristic of nitrate and the organic ions. The relative energetics of nitrate complexation was examined using electronic structure theory. These results confirmed that there are clear thermodynamic sinks for the penta- and hexanitrato structural units that were observed experimentally. Additionally, electrostatic surface potentials (ESPs) were calculated in an effort to better understand the counterion stabilization of the complexes. The ESP surfaces showed that the position of the water and nitrate molecules and the coordination geometry of the metal complex had a clear effect on the polarizability of the two structural motifs. Despite limited speciation of the Th–nitrate structural units, the compounds exhibit rich supramolecular chemistry resulting from hydrogen bonding of the Th complexes with the organic N–H donors and π–π stacking interactions from the protonated N-heterocycles.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Simulation of three-dimensional liquid sloshing flows using a strongly implicit calculation procedure

A coupled strongly implicit solution strategy for unsteady three-dimensional free surface flows has been developed based on an artificial compressibility formulation for the incompressible Navier-Stokes equations. A pseudotime term has been used in the continuity equation to permit time accurate calculations to be achieved. The scheme appears capable of tracking the free surface reasonably accurately inside a partially-filled spherical container undergoing a general rotating motion characteristic of that experienced by a spin-stabilized satellite. Five different free surface calculations have been presented. Some of the results exhibit an interesting Reynolds number dependent oscillatory behavior which is believed to be physical although no experimental results appears to be available for verification to date.

Chen, K.-H.↗
DOE OSTI2017

Study of Perfluorophosphonic Acid Surface Modifications on Zinc Oxide Nanoparticles

In this study, perfluorinated phosphonic acid modifications were utilized to modify zinc oxide (ZnO) nanoparticles because they create a more stable surface due to the electronegativity of the perfluoro head group. Specifically, 12-pentafluorophenoxydodecylphosphonic acid, 2,3,4,5,6-pentafluorobenzylphosphonic acid, and (1H,1H,2H,2H-perfluorododecyl)phosphonic acid have been used to form thin films on the nanoparticle surfaces. The modified nanoparticles were then characterized using infrared spectroscopy, X-ray photoelectron spectroscopy, and solid-state nuclear magnetic resonance spectroscopy. Dynamic light scattering and scanning electron microscopy-energy dispersive X-ray spectroscopy were utilized to determine the particle size of the nanoparticles before and after modification, and to analyze the film coverage on the ZnO surfaces, respectively. Zeta potential measurements were obtained to determine the stability of the ZnO nanoparticles. It was shown that the surface charge increased as the alkyl chain length increases. This study shows that modifying the ZnO nanoparticles with perfluorinated groups increases the stability of the phosphonic acids adsorbed on the surfaces. Thermogravimetric analysis was used to distinguish between chemically and physically bound films on the modified nanoparticles. The higher weight loss for 12-pentafluorophenoxydodecylphosphonic acid and (1H,1H,2H,2H-perfluorododecyl)phosphonic acid modifications corresponds to a higher surface concentration of the modifications, and, ideally, higher surface coverage. While previous studies have shown how phosphonic acids interact with the surfaces of ZnO, the aim of this study was to understand how the perfluorinated groups can tune the surface properties of the nanoparticles

perfluorophosphonic acid↗
DOE OSTI2017

Interfaces in Heterogeneous Catalysts: Advancing Mechanistic Understanding through Atomic-Scale Measurements

Developing novel catalysts with high efficiency and selectivity is critical for enabling future clean energy conversion technologies. Interfaces in catalyst systems have long been considered the most critical factor in controlling catalytic reaction mechanisms. Interfaces include not only the catalyst surface but also interfaces within catalyst particles and those formed by constructing heterogeneous catalysts. The atomic and electronic structures of catalytic surfaces govern the kinetics of binding and release of reactant molecules from surface atoms. Interfaces within catalysts are introduced to enhance the intrinsic activity and stability of the catalyst by tuning the surface atomic and chemical structures. Examples include interfaces between the core and shell, twin or domain boundaries, or phase boundaries within single catalyst particles. In supported catalyst nanoparticles (NPs), the interface between the metallic NP and support serves as a critical tuning factor for enhancing catalytic activity. Surface electronic structure can be indirectly tuned and catalytically active sites can be increased through the use of supporting oxides. Additionally, tuning interfaces in catalyst systems has been identified as an important strategy in the design of novel catalysts. However, the governing principle of how interfaces contribute to catalyst behavior, especially in terms of interactions with intermediates and their stability during electrochemical operation, are largely unknown. This is mainly due to the evolving nature of such interfaces. Small changes in the structural and chemical configuration of these interfaces may result in altering the catalytic performance. These interfacial arrangements evolve continuously during synthesis, processing, use, and even static operation. A technique that can probe the local atomic and electronic interfacial structures with high precision while monitoring the dynamic interfacial behavior in situ is essential for elucidating the role of interfaces and providing deeper insight for fine-tuning and optimizing catalyst properties.Scanning transmission electron microscopy (STEM) has long been a primary characterization technique used for studying nanomaterials because of its exceptional imaging resolution and simultaneous chemical analysis. Over the past decade, advances in STEM, that is, the commercialization of both aberration correctors and monochromators, have significantly improved the spatial and energy resolution. Imaging atomic structures with subangstrom resolution and identifying chemical species with single-atom sensitivity are now routine for STEM. These advancements have greatly benefitted catalytic research. For example, the roles of lattice strain and surface elemental distribution and their effect on catalytic stability and reactivity have been well documented in bimetallic catalysts. In addition, three-dimensional atomic structures revealed by STEM tomography have been integrated in theoretical modeling for predictive catalyst NP design. Recent developments in stable electronic and mechanical devices have opened opportunities to monitor the evolution of catalysts in operando under synthesis and reaction conditions; high-speed direct electron detectors have achieved sub-millisecond time resolutions and allow for rapid structural and chemical changes to be captured. Investigations of catalysts using these latest microscopy techniques have provided new insights into atomic-level catalytic mechanisms. Further integration of new microscopy methods is expected to provide multidimensional descriptions of interfaces under relevant synthesis and reaction conditions.In this Account, we discuss recent insights on understanding catalyst activity, selectivity, and stability using advanced STEM techniques, with an emphasis on how critical interfaces dictate the performance of precious metal-based heterogeneous catalysts. The role of extended interfacial structures, including those between core and shell, between separate phases and twinned grains, between the catalyst surface and gas, and between metal and support are discussed. We also provide an outlook on how emerging electron microscopy techniques, such as vibrational spectroscopy and electron ptychography, will impact future catalysis research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

High-resolution characterization of ceramic-metal interface of TiN coating on ferritic-steels for nuclear application

Advanced fuel cladding is critical for fast reactors, offering sufficient thermal conductivity, mechanical and dimensional stability and radiation tolerance of the cladding base material. Additionally, it must provide corrosion resistance and high temperature coolant compatibility on the cladding outer surface, as well as chemical stability on the cladding inner wall against fuel cladding chemical interaction (FCCI). TiN ceramic coating has been considered an effective diffusion barrier for inner and outer cladding-walls for enhanced performance. The TiN-metal interface microstructure and chemistry play a critical role in coating bond strength and integrity under harsh conditions. High-resolution transmission electron microscopy characterization of ceramic-metal interface at atomic resolution in unirradiated, irradiated and thermal cycled conditions were performed. The interface remained intact after irradiation up to 200 dpa or thermal cycling five times up to 550 °C. In conclusion, this work discusses the potential impact of these results on coating performance and design for advanced claddings.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Superconductivity and a van Hove singularity confined to the surface of a topological semimetal

The interplay between topology and superconductivity generated great interest in condensed matter physics. Here, we unveil an unconventional two-dimensional superconducting state in the Dirac nodal line semimetal ZrAs 2 which is exclusively confined to the top and bottom surfaces within the crystal's ab plane. As a remarkable consequence, we present the first clear evidence of a Berezinskii-Kosterlitz-Thouless (BKT) transition occurring solely on a material's surface-specifically, ZrAs 2 -unlike the inconsistent reports on PtBi 2 , CaAgP, and CaAg 1-x Pd x P. Furthermore, we find that these same surfaces also host a two-dimensional van Hove singularity near the Fermi energy. This leads to enhanced electronic correlations that contribute to the stabilization of superconductivity at the surface of ZrAs 2 . The'surface-confined nature of the van Hove singularity and associated superconductivity, realized for the first time, allows exploring the interplay between low-dimensional quantum topology and superconductivity in a bulk material without resorting to the superconducting proximity effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Investigating carbon stabilization in soils via mineral adsorption: What are we missing when we define mineral associated organic matter

Understanding carbon (C) fluxes released from soil to atmosphere is critical to regulating global climate change. Soil minerals play a crucial role in stabilizing C, based on recent studies which have found that mineral associated C can be stored in soils for decades to centuries longer than non-mineral associated C. We aim to maximize C sequestration via mineral adsorption in soils. To achieve this objective, it is important to understand the potential impacts of C stabilization via adsorption to mineral surfaces. Particularly, investigating the quantitative impacts of C sorption to minerals is novel to understanding and implementing multi-scale biogeochemical processes of C stabilization in soils. We will conduct a literature review on potential impacts of C sorption to minerals, thereby contributing to the net C storage in soils. Our findings will allow us to quantitatively understand soil C changes and durability at molecular and ecosystem scales, fulfilling existing scientific gaps in the community as well as interests of sponsors, such as DOE-BER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Cobalt-modified molybdenum carbide as a selective catalyst for hydrodeoxygenation of furfural

The hydrodeoxygenation (HDO) reaction is crucial to the upgrading of biomass-derived furfural to produce a promising fuel additive, 2-methylfuran. In order to enhance the stability of the molybdenum carbide (Mo 2 C) catalyst, this work utilizes cobalt (Co) modification to tune the oxygen and furfural binding energies on Mo 2 C. Density functional theory (DFT) calculations of the adsorption configuration of furfural on Mo 2 C(0001) and cobalt-modified molybdenum carbide (Co/Mo 2 C(0001)) reveal that the C=O bond of furfural is elongated, facilitating the selective C=O scission to produce 2-methylfuran. The reduced oxygen and furfural binding energies on Co/Mo 2 C(0001) allow the facile removal of surface oxygen and furfural to improve the stability of the catalyst. Temperature-programmed desorption (TPD) experiments on model surfaces confirm the enhanced stability and overall HDO performance of Co/Mo 2 C/Mo(110). Based on the results from high-resolution electron energy loss spectroscopy (HREELS), 2-methylfuran-like intermediates are observed on both Mo 2 C/Mo(110) and Co/Mo 2 C/Mo(110). Parallel reactor evaluations over the corresponding powder catalysts further demonstrate the enhanced stability of Co/Mo 2 C over Mo 2 C at ambient pressure. Furthermore, this work illustrates the important roles of oxygen and furfural binding energies in the furfural HDO reaction on both model surfaces and powder catalysts, which in turn provides insights into designing selective and stable carbide-based catalysts for HDO reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

Soil Moisture Active and Passive (SMAP) White-Painted Expanded Polystyrene (EPS) Radome Survivability Test

NASA's SMAP Mission launched in January 2015 into a 685 km near-polar, sun-synchronous orbit. The SMAP instrument architecture incorporates an L-band radar and radiometer which share a common feedhorn and mesh reflector. The instrument rotates about the nadir axis at approximately 15 rpm, thereby providing a conically scanning wide swath antenna beam that is capable of achieving global coverage within three days. The radiometer and its associated electronics have tight thermal stability requirements in order to meet the required surface emittance measurement precision from space. Maintaining the thermal stabilities is quite challenging because the radiometer is located on a spinning platform that can either be in full sunlight or eclipse, and thus exposed to a highly transient environment. Stability requirements were met by integrating a light-weight Expanded Polystyrene (EPS) radome into the design to prevent solar illumination of the feed horn interior. The radome was painted white since the thermo-optical properties of bare sunlit EPS degrade rapidly over the three-year mission. Milling of the EPS and solvent within the white paint created cavities on the EPS surface which may introduce localized hot spots possibly violating the EPS glass transition temperature of 96degC and leading to structural integrity concerns. A three-day thermal test was conducted in a vacuum chamber to verify survivability of the radome during a simulated non-spin fault condition at end of mission. A portable solar simulator illuminated the test article and the beam irradiance was kept nearly constant during the entire 50 hour test, except during the first hour which simulated the expected 79degC on-orbit surface temperature of the radome. The test article survived based on the established pass criteria for three separate metrics: dimensional, optical property, and color. If any hot spots exist locally, they did not cause any observable permanent deformation when compared to pre- and post-test images. The test results increase confidence that there is a high probability that the radome will survive the worst-case scenario of a no-spin fault condition at the end of mission.

Mikhaylov, Rebecca↗
DOE OSTI2021

Electronic properties of Ir 3 Li and ultra-nanocrystalline lithium superoxide formation

Current lithium-oxygen (Li-O 2 ) batteries suffer from large charge overpotentials related to electronic resistivity of the insulating lithium peroxide (Li 2 O 2 ) discharge product. One potential solution to this challenge is the stabilization of the lithium superoxide (LiO 2 ) discharge intermediate, which has much higher electronic conductivity compared to Li 2 O 2 . Cathodes based on small iridium (Ir) nanoparticles have been recently used in a LiO 2 battery to successfully stabilize the LiO 2 product, however, the LiO 2 had a short lifetime. In the previous study, researchers found that the LiO 2 was stabilized on Ir 3 Li surfaces which were formed from Ir nanoparticles during battery operation. Little is known about the electronic properties of Ir 3 Li and its role in stabilizing LiO 2 product formation. This work provides the first study of the electronic properties of Ir 3 Li, which was thermally synthesized in bulk prior to implementation on the reduced graphene oxide (rGO) cathode of a Li-O 2 cell. Here, the bulk Ir 3 Li was found to have comparable electrical conductivity to Ir metal, possess metal-like magnetic properties, and has an affinity towards O 2 adsorption. The LiO 2 discharge product formed from the Li-O 2 battery discharge was characterized using Raman spectroscopy, titration, along with a comprehensive transmission electron microscopy (TEM) study. This analysis revealed the formation of ultra-nanocrystalline LiO 2 particles greater than 200 nm. This result was attributed to the use of large micron sized Ir 3 Li particles, which could stabilize larger LiO 2 particles compared to previous cathodes that utilized Ir nanoparticles that partially converted to Ir 3 Li during cycling. These results demonstrate that cathode properties can be modified to stabilize the bulk LiO 2 discharge product, which can be useful for the further development of LiO 2 -based Li-O 2 batteries.

25 ENERGY STORAGE↗
NASA NTRS2000

On the Stability of Liquid Water on Present Day Mars

The mean annual surface pressure and temperature on present day Mars do not allow for the long term stability of liquid water on the surface. However, theoretical arguments have been advanced that suggest liquid water could form in transient events even though it would not be in equilibrium with the environment. Using a Mars General Circulation Model, we calculate where and for how long the surface pressure and surface temperature meet the minimum requirements for this metastability of liquid water. These requirements are that the pressure and temperature must be above the triple point of water, but below its boiling point. We find that there are five regions on Mars where these requirements are periodically satisfied: in the near equatorial regions of Amazonis, Arabia, and Elysium, and in the Hellas and Argyre impact basins. Whether liquid water ever forms in these regions depends on the availability of ice and heat, and on the evaporation rate. The latter is poorly understood for low pressure CO2 environments, but is likely to be so high that melting occurs rarely, if at all. However, in the relatively recent past, surface pressures may have been higher than they are today perhaps by as much as a factor of 2 or 3. Under these circumstances melting would have been easier to achieve. We plan to undertake laboratory experiments to better understand the potential for melting in low pressure environments.

Haberle, Robert M.↗
DOE OSTI2017

Hidden phase in a two-dimensional Sn layer stabilized by modulation hole doping

Semiconductor surfaces and ultrathin interfaces exhibit an interesting variety of two-dimensional quantum matter phases, such as charge density waves, spin density waves and superconducting condensates. Yet, the electronic properties of these broken symmetry phases are extremely difficult to control due to the inherent difficulty of doping a strictly two-dimensional material without introducing chemical disorder. Here we successfully exploit a modulation doping scheme to uncover, in conjunction with a scanning tunnelling microscope tip-assist, a hidden equilibrium phase in a hole-doped bilayer of Sn on Si(111). This new phase is intrinsically phase separated into insulating domains with polar and nonpolar symmetries. Its formation involves a spontaneous symmetry breaking process that appears to be electronically driven, notwithstanding the lack of metallicity in this system. This modulation doping approach allows access to novel phases of matter, promising new avenues for exploring competing quantum matter phases on a silicon platform.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1996

CFD Analysis of the 24-inch JIRAD Hybrid Rocket Motor

A series of multispecies, multiphase computational fluid dynamics (CFD) analyses of the 24-inch diameter joint government industry industrial research and development (JIRAD) hybrid rocket motor is described. The 24-inch JIRAD hybrid motor operates by injection of liquid oxygen (LOX) into a vaporization plenum chamber upstream of ports in the hydroxyl-terminated polybutadiene (HTPB) solid fuel. The injector spray pattern had a strong influence on combustion stability of the JIRAD motor so a CFD study was initiated to define the injector end flow field under different oxidizer spray patterns and operating conditions. By using CFD to gain a clear picture of the flow field and temperature distribution within the JIRAD motor, it is hoped that the fundamental mechanisms of hybrid combustion instability may be identified and then suppressed by simple alterations to the oxidizer injection parameters such as injection angle and velocity. The simulations in this study were carried out using the General Algorithm for Analysis of Combustion SYstems (GALACSY) multiphase combustion codes. GALACSY consists of a comprehensive set of droplet dynamic submodels (atomization, evaporation, etc.) and a computationally efficient hydrocarbon chemistry package built around a robust Navier-Stokes solver optimized for low Mach number flows. Lagrangian tracking of dispersed particles describes a closely coupled spray phase. The CFD cases described in this paper represent various levels of simplification of the problem. They include: (A) gaseous oxygen with combusting fuel vapor blowing off the walls at various oxidizer injection angles and velocities, (B) gaseous oxygen with combusting fuel vapor blowing off the walls, and (C) liquid oxygen with combusting fuel vapor blowing off the walls. The study used an axisymmetric model and the results indicate that the injector design significantly effects the flow field in the injector end of the motor. Markedly different recirculation patterns are observed in the vaporization chamber as the oxygen velocity and/or spray pattern is varied. The ability of these recirculation patterns to stabilize the diffusion flame above the surface of the solid fuel gives a plausible explanation for the experimentally determined combustion stability characteristics of the JIRAD motor, and suggests how combustion stability can be assured by modifications to the injector design.

Liang, Pak-Yan↗