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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Catalystlike role of impurities in speeding layer-by-layer growth

Molecular self-assembly is usually done at low supersaturation, leading to low rates of growth, in order to allow time for binding mistakes to anneal. However, such conditions can lead to prohibitively long assembly times where growth proceeds by the slow nucleation of successive layers. Here we use a lattice model of molecular self-assembly to show that growth in this regime can be sped up by impurities, which lower the free-energy cost of layer nucleation. Under certain conditions impurities behave almost as a catalyst in that they are present at high concentration at the surface of the assembling structure, but at low concentration in the bulk of the assembled structure. In this work, extrapolation of our numerics using simple analytic arguments suggests that this mechanism can reduce growth times by orders of magnitude in parameter regimes applicable to molecular systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

GaAs Substrate Recycling Using in-situ Deposited NaCl Layers via Molecular Beam Epitaxy

This work presents an alternative method to conventional III-V substrate recycling methods via growth of NaCl on nearly-lattice matched GaAs (001) substrates. Reflection high energy electron diffraction and transmission electron microscopy confirm an epitaxial relationship between the NaCl layers and the underlying GaAs. If the sample is heated too much prior to GaAs deposition, the NaCl fully desorbs from the surface. The quality of the deposition of GaAs on NaCl ranges from amorphous at low temperature to polycrystalline at intermediate temperatures. Exposure to electron beams during growth results in larger and (001) textured grains. The substrate is separated from the GaAs film in seconds via submersion in water, revealing a substrate surface comparable to the original.

electron beams↗
DOE OSTI2015

Atomic layer deposition of tin oxide and zinc tin oxide using tetraethyltin and ozone

Silicon or glass substrates exposed to sequential pulses of tetraethyltin (TET) and ozone (O{sub 3}) were coated with thin films of SnO{sub 2}. Self-limiting deposition was found using 8 s pulse times, and a uniform thickness per cycle (TPC) of 0.2 nm/cycle was observed in a small, yet reproducible, temperature window from 290 to 320 °C. The as-deposited, stoichiometric SnO{sub 2} films were amorphous and transparent above 400 nm. Interspersing pulses of diethylzinc and O{sub 3} among the TET:O{sub 3} pulses resulted in deposition of zinc tin oxide films, where the fraction of tin, defined as [at. % Sn/(at. % Sn + at. % Zn)], was controlled by the ratio of TET pulses, specifically n{sub TET}:(n{sub TET} + n{sub DEZ}) where n{sub TET} and n{sub DEZ} are the number of precursor/O{sub 3} subcycles within each atomic layer deposition (ALD) supercycle. Based on film thickness and composition measurements, the TET pulse time required to reach saturation in the TPC of SnO{sub 2} on ZnO surfaces was increased to >30 s. Under these conditions, film stoichiometry as a function of the TET pulse ratio was consistent with the model devised by Elliott and Nilsen. The as-deposited zinc tin oxide (ZTO) films were amorphous and remained so even after annealing at 450 °C in air for 1 h. The optical bandgap of the transparent ZTO films increased as the tin concentration increased. Hall measurements established that the n-type ZTO carrier concentration was 3 × 10{sup 17} and 4 × 10{sup 18} cm{sup −3} for fractional tin concentrations of 0.28 and 0.63, respectively. The carrier mobility decreased as the concentration of tin increased. A broken gap pn junction was fabricated using ALD-deposited ZTO and a sputtered layer of cuprous oxide. The junction demonstrated ohmic behavior and low resistance consistent with similar junctions prepared using sputter-deposited ZTO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Atomic layer deposition of environmentally benign SnTiO{sub x} as a potential ferroelectric material

Inspired by the need to discover environmentally friendly, lead-free ferroelectric materials, here the authors report the atomic layer deposition of tin titanate (SnTiO{sub x}) aiming to obtain the theoretically predicted perovskite structure that possesses ferroelectricity. In order to establish the growth conditions and probe the film structure and ferroelectric behavior, the authors grew SnTiO{sub x} films on the commonly used Si(100) substrate. Thin films of SnTiO{sub x} have been successfully grown at a deposition temperature of 200 °C, with a Sn/Ti atomic layer deposition (ALD) cycle ratio of 2:3 and postdeposition heat treatments under different conditions. X-ray photoelectron spectroscopy revealed excellent composition tunability of ALD. X-ray diffraction spectra suggested anatase phase for all films annealed at 650 and 350 °C, with peak positions shifted toward lower 2-theta angles indicating enlarged unit cell volume. The film annealed in O{sub 2} at 350 °C exhibited piezoresponse amplitude and phase hysteresis loops, indicative of the existence of switchable polarization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Growth, intermixing, and surface phase formation for zinc tin oxide nanolaminates produced by atomic layer deposition

A broad and expanding range of materials can be produced by atomic layer deposition at relatively low temperatures, including both oxides and metals. For many applications of interest, however, it is desirable to grow more tailored and complex materials such as semiconductors with a certain doping, mixed oxides, and metallic alloys. How well such mixed materials can be accomplished with atomic layer deposition requires knowledge of the conditions under which the resulting films will be mixed, solid solutions, or laminated. The growth and lamination of zinc oxide and tin oxide is studied here by means of the extremely surface sensitive technique of low energy ion scattering, combined with bulk composition and thickness determination, and x-ray diffraction. At the low temperatures used for deposition (150 °C), there is little evidence for atomic scale mixing even with the smallest possible bilayer period, and instead a morphology with small ZnO inclusions in a SnO{sub x} matrix is deduced. Postannealing of such laminates above 400 °C however produces a stable surface phase with a 30% increased density. From the surface stoichiometry, this is likely the inverted spinel of zinc stannate, Zn{sub 2}SnO{sub 4}. Annealing to 800 °C results in films containing crystalline Zn{sub 2}SnO{sub 4}, or multilayered films of crystalline ZnO, Zn{sub 2}SnO{sub 4}, and SnO{sub 2} phases, depending on the bilayer period.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tailoring nanopore formation in atomic layer deposited ultrathin films [Nanopore formation in atomic layer deposited ultrathin films]

Selectivity is a critical attribute of catalysts used in manufacturing of essential and fine chemicals. An excellent way to induce selectivity in catalysts is by using ultrathin films with tailored nanoporosity. For instance, nanopores can be created in atomic layer deposition (ALD) ultrathin over-coatings on supported metal nanoparticles by subjecting the coatings to high temperature annealing. These nanopores expose the active surface of the underlying metal nanoparticles. The dimensions of these nanopores can be tuned to impart shape selectivity: only reactants or products with a specific size or shape can fit inside the pore. In this work, the authors explore the underlying mechanism driving nanopore formation in ALD films. Ultrathin films of ALD TiO 2 (similar to 2.5 nm thick) and ALD Al 2 O 3 (similar to 4.9 nm thick) were deposited on nonporous gamma-Al 2 O 3 nanoparticles. The pore formation and evolution were monitored in situ during thermal annealing using small-angle x-ray scattering (SAXS), and the crystallinity was monitored by in situ x-ray diffraction. A correlation between the nanopore formation and amorphous to crystalline phase transitions in the ALD layers was observed. The authors hypothesize that the pores form through the relaxation of stress induced by densification of the ALD films during the phase transitions. In conclusion, the authors developed a mathematical model to evaluate this hypothesis and found remarkable agreement between the model and the SAXS measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Access Patterns and Performance Behaviors of Multi-layer Supercomputer I/O Subsystems under Production Load

Scientific computing workloads at HPC facilities have been shifting from traditional numerical simulations to AI/ML applications for training and inference while processing and producing ever-increasing amounts of scientific data. To address the growing need for increased storage capacity, lower access latency, and higher bandwidth, emerging technologies such as non-volatile memory are integrated into supercomputer I/O subsystems. With these emerging trends, we need a better understanding of the multilayer supercomputer I/O systems and ways to use these subsystems efficiently. In this work, we study the I/O access patterns and performance characteristics of two representative supercomputer I/O subsystems. Through an extensive analysis of year-long I/O logs on each system, we report new observations in I/O reads and writes, unbalanced use of storage system layers, and new trends in user behaviors at the HPC I/O middleware stack.

Bez, JL↗
DOE OSTI2020

A Polarimetric Radar Analysis of Ice Microphysical Processes in Melting Layers of Winter Storms Using S-Band Quasi-Vertical Profiles

Quasi-vertical profiles (QVPs) obtained from a database of U.S. WSR-88D data are used to document polarimetric characteristics of the melting layer (ML) in cold-season storms with high vertical resolution and accuracy. A polarimetric technique to define the top and bottom of the ML is first introduced. Using the QVPs, statistical relationships are developed to gain insight into the evolution of microphysical processes above, within, and below the ML, leading to a statistical polarimetric model of the ML that reveals characteristics that reflectivity data alone are not able to provide, particularly in regions of weak reflectivity factor at horizontal polarization Z H . QVP ML statistics are examined for two regimes in the ML data: Z H ≥ 20 dB Z and Z H < 20 dB Z . Regions of Z H ≥ 20 dB Z indicate locations of MLs collocated with enhanced differential reflectivity Z DR and reduced copolar correlation coefficient ρ hv , while for Z H < 20 dB Z a well-defined ML is difficult to discern using Z H alone. Evidence of large Z DR up to 4 dB, backscatter differential phase δ up to 8°, and low ρ hv down to 0.80 associated with lower Z H (from -10 to 20 dB Z ) in the ML is observed when pristine, nonaggregated ice falls through it. Positive correlation is documented between maximum specific differential phase K DP and maximum Z H in the ML; these are the first QVP observations of K DP in MLs documented at S band. Negative correlation occurs between minimum ρ hv in the ML and ML depth and between minimum ρ hv in the ML and the corresponding enhancement of Z H (Δ Z H = Z H max - Z H rain ).

Meteorology & Atmospheric Sciences↗
DOE OSTI2023

Evaluation of methods to determine the surface mixing layer height of the atmospheric boundary layer in the central Arctic during polar night and transition to polar day in cloudless and cloudy conditions

This study evaluates methods to derive the surface mixing layer (SML) height of the Arctic atmospheric boundary layer (ABL) using in situ measurements inside the Arctic ABL during winter and the transition period to spring. An instrumental payload carried by a tethered balloon was used for the measurements between December 2019 and May 2020 during the year-long Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition. Vertically highly resolved (centimeter scale) in situ profile measurements of mean and turbulent parameters were obtained, reaching from the sea ice to several hundred meters above ground. Two typical conditions of the Arctic ABL over sea ice were identified: cloudless situations with a shallow surface-based inversion and cloudy conditions with an elevated inversion. Both conditions are associated with significantly different SML heights whose determination as accurately as possible is of great importance for many applications. We used the measured turbulence profile data to define a reference of the SML height. With this reference, a more precise critical bulk Richardson number of 0.12 was derived, which allows an extension of the SML height determination to regular radiosoundings. Furthermore, we have tested the applicability of the Monin–Obukhov similarity theory to derive SML heights based on measured turbulent surface fluxes. The application of the different approaches and their advantages and disadvantages are discussed.

54 ENVIRONMENTAL SCIENCES↗