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At least 973 records · Page 54

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NASA NTRS1993

Development of a molecular beam technique to study early solar system silicon reactions

Silicon monoxide is one of the major gas phase silicon bearing components observed in astronomical environments. Silicon oxide serves as the major rock forming material for terrestrial and meteoritic bodies. It is known that several gas phase reactions produce mass independent isotopic fractionations which possess the same delta(O-17)/delta(O-18) ratio observed in Allende inclusions. The general symmetry dependence of the chemically produced mass independent isotopic fractionation process suggests that there are several plausible reactions which could occur in the early solar system which may lead to production of the observed meteoritic oxygen isotopic anomalies. An important component in exploring the role of such processes is the need to experimentally determine the isotopic fractionations for specific reactions of relevance to the early solar system. It has already been demonstrated that atomic oxygen reaction with CO, a major nebular oxygen bearing species, produces a large (approximately 90 percent), mass independent isotopic fractionation. The next hurdle regarding assessing the involvement of symmetry dependent isotopic fractionation processes in the pre-solar nebula is to determine isotopic fractionation factors associated with gas phase reactions of metallic oxides. In particular, a reaction such as O + SiO yields SiO2 is a plausible nebular reaction which could produce a delta(O-17) is approximately delta(O-18) fractionation based upon molecular symmetry considerations. While the isotopic fractionations during silicate evaporation and condensation have been determined, there are no isotopic studies of controlled, gas phase nucleation processes. In order to carefully control the reaction kinetics, a molecular beam apparatus has been constructed. This system produces a supersonic, collimated beam of SiO molecules which is reacted with a second beam of oxygen atoms. An important feature of molecular beams is that they operate at sufficiently low pressures and high temperatures in the jet that avalanche nucleation and clustering processes may be avoided.

Dong, Q. W.↗

NASA NTRS2017

Distributed Timing and Localization (DiGiTaL)

The Distributed Timing and Localization (DiGiTaL) system provides nano satellite formations with unprecedented,centimeter-level navigation accuracy in real time and nanosecond-level time synchronization. This is achieved through the integration of a multi-constellation Global Navigation Satellite System (GNSS) receiver, a Chip-Scale Atomic Clock (CSAC), and a dedicated Inter-Satellite Link (ISL). In comparison, traditional single spacecraft GNSS navigation solutions are accurate only to the meter-level due to the sole usage of coarse pseudo-range measurements. To meet the strict requirements of future miniaturized distributed space systems, DiGiTaL uses powerful error-cancelling combinations of raw carrier-phase measurements which are exchanged between the swarming nano satellites through a decentralized network. A reduced-dynamics estimation architecture on board each individual nano satellite processes the resulting millimeter-level noise measurements to reconstruct the fullformation state with high accuracy.

Small Spacecraft↗

DOE OSTI2020

Compensation of residual amplitude modulation fluctuations in an optoelectronic system for laser radiation frequency stabilisation

Fluctuations of residual amplitude modulation in a scheme of laser frequency stabilisation by a Fabry – Perot cavity reduce the frequency stability of the laser systems intended for interrogating clock transitions of atoms and ions. The dependences of the residual amplitude modulation on a temperature of the waveguide-based electro-optical modulator used for modulating the radiation phase and on polarisation of the radiation are measured. The parameters are found, at which the influence of the residual amplitude modulation on the frequency stability is minimal. A system for active compensation is created, which reduces the contribution of fluctuations of residual amplitude modulation to the instability down to 2.1 × 10{sup −16}, which makes it possible to reach the thermal noise limit of a silicon cryogenic cavity. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

DOE OSTI2020

Polyphenol-Sensitized Atomic Layer Deposition for Membrane Interface Hydrophilization

Improvements in energy-water systems will necessitate fabrication of high-performance separation membranes. To this end, interface engineering is a powerful tool for tailoring properties, and atomic layer deposition (ALD) has recently emerged as a promising and versatile approach. However, most non-polar polymeric membranes are not amenable to ALD processing due to the absence of nucleation sites. Here, a sensitization strategy for ALD-coating is presented, illustrated by membrane interface hydrophilization. Facile dip-coating with polyphenols effectively sensitizes hydrophobic polymer membranes to TiO2 ALD coating. Tannic acid-sensitized ALD-coated membranes exhibit outstanding underwater crude oil repulsion and rigorous mechanical stability through bending and rinsing tests. As a result, these membranes demonstrate outstanding crude oil-in-water separation and reusability compared to untreated membranes or those treated with ALD without polyphenol pretreatment. A possible polyphenol-sensitized ALD mechanism is proposed involving initial island nucleation followed by film intergrowth. This polyphenol sensitization strategy enriches the functionalization toolbox in material science, interface engineering, and environmental science.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Hyperfine-to-rotational energy transfer in ultracold atom–molecule collisions of Rb and KRb

Energy transfer between different mechanical degrees of freedom in atom–molecule collisions has been studied and largely understood. However, systems involving spins remain less explored. Here, in this study, we directly observed energy transfer from atomic hyperfine to molecular rotation in the 87 Rb ($| {F}_{a},{M}_{{F}_{a}}\rangle =| 2,2\rangle$) + 40 K 87 Rb (X 1 Σ + , rotational state N = 0) ⟶ Rb ($| 1,1\rangle$) + KRb ( N = 0, 1, 2) collision with state-to-state precision. We also performed quantum scattering calculations that rigorously included the coupling between spin and rotational degrees of freedom at short range under the assumption of rigid-rotor KRb monomers moving along a single potential energy surface. The calculated product rotational state distribution deviates from the observations even after extensive tuning of the atom–molecule potential energy surface. In addition, our ab initio calculations indicate that spin–rotation coupling is enhanced close to a conical intersection that is energetically accessible at short range. This, together with the deviation, suggests that vibrational degrees of freedom and conical intersections play an important part in the coupling. Our observations confirm that spin is coupled to mechanical rotation at short range and establish a benchmark for future theoretical studies.

chemical physics↗

NASA NTRS2012

Emission Spectroscopy and Radiometric Measurements in the NASA Ames IHF Arc Jet Facility

Plasma diagnostic measurement campaigns in the NASA Ames Interaction Heating Facility (IHF) have been conducted over the last several years with a view towards characterizing the flow in the arc jet facility by providing data necessary for modeling and simulation. Optical emission spectroscopy has been used in the plenum and in the free jet of the nozzle. Radiation incident over a probe surface has also been measured using radiometry. Plenum measurements have shown distinct radial profiles of temperature over a range of operating conditions. For cases where large amounts of cold air are added radially to the main arc-heated stream, the temperature profiles are higher by as much as 1500 K than the profiles assumed in flow simulations. Optical measurements perpendicular to the flow direction in the free jet showed significant contributions to the molecule emission through inverse pre-dissociation, thus allowing determination of atom number densities from molecular emission. This has been preliminarily demonstrated with the N2 1st Positive System. Despite the use of older rate coefficients, the resulting atom densities are reasonable and surprisingly close to flow predictions.

Winter, Michael W.↗

DOE OSTI2023

First bromine doped cryogenic implosion at the National Ignition Facility

We report on the first experiment dedicated to the study of nuclear reactions on dopants in a cryogenic capsule at the National Ignition Facility (NIF). This was accomplished using bromine doping in the inner layers of the CH ablator of a capsule identical to that used in the NIF shot N140520. The capsule was doped with 3 × 1016 bromine atoms. The doped capsule shot, N170730, resulted in a DT yield that was 2.6 times lower than the undoped equivalent. The Radiochemical Analysis of Gaseous Samples (RAGS) system was used to collect and detect 79Kr atoms resulting from energetic deuteron and proton ion reactions on 79Br. RAGS was also used to detect 13N produced dominantly by knock-on deuteron reactions on the 12C in the ablator. High-energy reaction-in-flight neutrons were detected via the 209Bi(n,4n)206Bi reaction, using bismuth activation foils located 50 cm outside of the target capsule. The robustness of the RAGS signals suggests that the use of nuclear reactions on dopants as diagnostics is quite feasible.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Real-time observation of multi-electron processes in atoms and diatomic molecules

We report on the implementation of a reliable experimental approach to observe, in real-time, electron dynamics in atoms and molecules at the attosecond time scale. The experimental approach combines a source of shape-controlled attosecond pulses, a stabilized XUV/IR interferometer for time-resolved measurements, and a multi-particle imaging system (Coltrims). In addition, we report new capabilities to control electron dynamics in quantum systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2026

Optimal spin-qubit hallmarks of sulfur-vacancy defects in 4H-SiC: Design from first principles

We propose neutral defects in 4H-SiC comprising a silicon vacancy and a sulfur atom dopant substituting a carbon atom as an optically controllable spin qubit with application in quantum computing and quantum telecommunications. According to our state-of-the-art first-principles calculation, the proposed defect possess very promising qubit functionalities. This system once again confirms our hypothesis for the rational design of spin qubits and single-photon emitters. Importantly, the atoms of this system have high-abundance isotopes with zero nuclear spin ensuring high spin-coherence time of the qubit.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Low earth orbital atomic oxygen simulation for materials durability evaluation

The erosion yields of numerous materials have been evaluated in low earth orbital space tests. There appears to be three classes of materials: materials of high erosion yield which include most of the hydrocarbon organic materials; materials which either do not react with atomic oxygen or form self-protecting oxides which allow the underlying material to appear durable to atomic oxygen, and materials with low but nonnegligeable erosion yields, such as fluoropolymers. A NASA atomic oxygen effects test program has been established to utilize collective data from a multitude of simulation facilities to promote an understanding of mechanism and erosion yield dependencies. Atomic oxygen protective coatings for Kapton polymide solar array blankets, fiberglass-epoxy composite mast structures, and solar dynamic power system concentrator surfaces have been identified and evaluated under atomic oxygen exposure in RF plasma asher laboratory tests. The control of defect density in protective coatings appears to be the key to the assurance of long-term protection of oxidizable materials in low earth orbit.

Banks, Bruce A.↗

NASA NTRS1993

A new technique for in situ measurement of the composition of neutral gas in interplanetary space

Neutral atoms in interplanetary space play an important role in many processes relevant to the formation and evolution of the Solar System. An experimental approach is proposed for in situ atom detection based on the conversion of neutral atoms to negative ions at a specially prepared sensitive surface. Negative ions are subsequently analyzed and detected in an essentially noise-free mode. The use of the technique for in situ study of the composition of neutral interstellar atoms is considered. It is shown that interstellar H, D, and O atoms and possibly H2 molecules can be measured by the proposed technique. The experiment can be performed from a high-apogee Earth-orbiting satellite or from a deep space probe. Possible applications of the technique are discussed.

Gruntman, Michael A.↗

DOE OSTI2025

Chemistry and Interfacial Structure Promoting Quasi-van der Waals Epitaxial Growth of WS 2 Nanosheets on Sapphire for Prospective Application in Field-Effect Transistors

How do chemical and structural modifications to the supporting crystal surface affect the subsequent van der Waals (vdW) or quasi(Q)-vdW epitaxial growth of 2D nanocrystals? Developing an atomic-scale picture of such an interfacial system is crucial for understanding its impact on the physical and chemical properties of the supported 2D materials. The elucidation of the interfacial structure and chemistry needed to promote the Q-vdW epitaxial growth of 2D tungsten disulfide (WS 2 ) nanocrystals contributes to the growth mechanism understanding, thus pushing forward the integration of such atomically thin semiconductors toward real field-effect transistor applications. In addition to an atomic-force microscopy top view, we showcase a combination of X-ray techniques for a top-to-bottom investigation of the complexities of the buried interface structures. Furthermore, this approach uses X-ray photoelectron spectroscopy, X-ray standing wave excited X-ray fluorescence, and crystal truncation rod scattering to produce a highly resolved chemical-state-specific 3D atomic map for the extended interface structure of WS 2 /α-Al 2 O 3 (001). Employing these detailed analysis methods, along with density functional theory to further refine the picoscale structure, we demonstrate how two different types of interface engineering during the pregrowth stage lead to significant differences in the chemical and structural modifications to the terminal surface of c-face sapphire, which in turn leads to substantial differences in the submonolayer growth of supported WS 2 2D nanocrystals in terms of lateral domain sizes, epitaxial registry, vdW gaps, and stability.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Acidity-Governed Rules in the Electrochemical Performance of Fluorinated Benzenes for High-Voltage Lithium Metal Batteries

Judicious selection of the optimal fluorobenzene (FB) as a nonsolvating cosolvent for lithium metal batteries (LMBs) is reported. For this work, we found the key correlation between FB structures and cycling stabilities of cells: increased fluorine substitution of FBs results in higher anodic stability but at the expense of reduced reductive stability, and FBs containing three or more fluorine atoms exhibit insufficient anodic stability in the electrolyte system comprised of fluoroethylene carbonate (FEC) and ethyl methyl carbonate (EMC). More importantly, FBs with higher acidity (lower pK a ) due to protons located between two adjacent fluorine atoms tend to be more susceptible to side reactions during cycling. Our results indicate that difluorobenzenes with no “acidic” proton (DFB2 and DFB4) have emerged as the optimal choice with the desired redox stability in high-voltage LMBs. Nuclear magnetic resonance and X-ray photoelectron spectroscopy confirmed these findings, providing guidance for selecting the most suitable FB variants as nonsolvating cosolvents for high-voltage LMBs.

25 ENERGY STORAGE↗

NASA NTRS1984

The Rubidium-Crystal Oscillator Hybrid Development Program

The rubidium-crystal oscillator hybrid (RbXO) will make precise time available to systems that lack the power required by atomic frequency standards. The RbXO consists of two subassemblies in separate enclosures. One contains a small rubidium frequency standard (RFS) without its internal oven-controlled crystal oscillator (OCXO), plus interface circuits. The second contains a low-power OCXO, and additional interface circuits. The OCXO is on continuously. Periodically, e.g., once a week, the user system applies power to the RFS. After the few necessary for the warmup of the RFS, the interface circuits adjust the frequency of the OCXO to the RFS reference, then shut off the RFS. The OCXO enclosure is separable from the RFS enclosure so that manpacks will be able to operate with minimum size, weight, and power consumption, while having the accuracy of the RFS for the duration of a mission. A prototype RbXO's RFS has operated successfully for 4200 on-off cycles. Parallel efforts on a Phase 2 RbXO development are in progress. Two sources for the RbXO are scheduled to be available during 1986.

Vig, J. R.↗

NASA NTRS1992

Faraday anomalous dispersion optical tuners

Common methods for frequency stabilizing diode lasers systems employ gratings, etalons, optical electric double feedback, atomic resonance, and a Faraday cell with low magnetic field. Our method, the Faraday Anomalous Dispersion Optical Transmitter (FADOT) laser locking, is much simpler than other schemes. The FADOT uses commercial laser diodes with no antireflection coatings, an atomic Faraday cell with a single polarizer, and an output coupler to form a compound cavity. This method is vibration insensitive, thermal expansion effects are minimal, and the system has a frequency pull in range of 443.2 GHz (9A). Our technique is based on the Faraday anomalous dispersion optical filter. This method has potential applications in optical communication, remote sensing, and pumping laser excited optical filters. We present the first theoretical model for the FADOT and compare the calculations to our experimental results.

Wanninger, P.↗

DOE OSTI2024

Eliminating Signal Bias Caused by Vacuum System Backstreaming in the Diagnostic Residual Gas Analyzer of ITER

In fusion neutral gas analysis, such as with the Diagnostic Residual Gas Analyzer (DRGA) for ITER, the primary measurement range of interest comprises the low-amu species (1 to 6), especially deuterium and helium. The challenge in successfully obtaining accurate measurements is two-fold. First, the sensitivity of the method must be sufficient to resolve trace amounts accurately; typically, one percent or less. Second, the gas signal from the fusion processes must be free of bias caused by the latent presence (from system outgassing and/or vacuum backstreaming) of these gases to enable accurate interpretation of the measured signal. This latter criterion can be problematic for the lightest gases since there is a propensity for some fraction of the pumped gas load to undergo a phenomenon known as backstreaming. This behavior is manifested in pumping systems for gas properties related to relative atomic weight (lightest) and size (smallest). Backstreaming results in a significant amount of the pumped gas undertaking a reverse flow and re-entering the measurement region; thus, contaminating the forward, real-time measurement. To fully eliminate this adverse effect, a conductance-limiting device – or orifice – has been installed in the high-vacuum pumping system of the present ITER DRGA prototype. The system was already equipped with a secondary turbomolecular pump (TMP), but with limited effectiveness against backstreaming in the inter-pump volume (IPV). This orifice is placed within the suction inlet coupling of the secondary TMP, which is downstream of the IPV. Its objective is to eliminate the backstreaming phenomenon by increasing the back pressure in the IPV. However, the orifice sizing must take into consideration other factors, such as the diagnostic measurement objectives. For example, in the ITER DRGA, one of the measurement requirements is a dynamic response time of ~1s. Fortunately, an added benefit of the pumping restriction created by the orifice is that the upstream pressure increase is beneficial for the DRGA’s optical gas analysis (OGA) sensors. These sensors are attached to the IPV in the present design. The glow discharges, when used as an OGA light source, will typically have a brighter light emission with increasing plasma cell pressure. In addition to the fusion machine research sector, there are other potential applications of this pumping technique where the monitoring of lighter gas concentrations is essential, such as the photolithography process for the semiconductor fabrication of integrated circuits. This presentation will describe the vacuum system used to demonstrate a process to eliminate backstreaming as well as show test results to verify the accomplishment of this critical objective.

Marcus, Chris↗

NASA NTRS1980

Solar-pumped gas laser development

A survey of gas properties through detailed kinetic models led to the identification of critical gas parameters for use in choosing appropriate gas combinations for solar pumped lasers. Broadband photoabsorption in the visible or near UV range is required to excite large volumes of gas and to insure good solar absorption efficiency. The photoexcitation density is independent of the absorption bandwidth. The state excited must be a metastable state which is not quenched by the parent gas. The emission bandwidth must be less than 10 A to insure lasing threshold over reasonable gain lengths. The system should show a high degree of chemical reversibility and an insensitivity to increasing temperature. Other properties such as good quantum efficiency and kinetic efficiency are also implied. Although photoexcitation of electronic vibrational transitions is considered as a possible system if the emission bands sufficiently narrow, it appears that photodissociation into atomic metastables is more likely to result in a successful solar pumped laser system.

Wilson, J. W.↗