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At least 415 records · Page 23

Unusual Role of Point Defects in Perovskite Nickelate Electrocatalysts

Low-cost transition-metal oxide is regarded as a promising electrocatalyst family for an oxygen evolution reaction (OER). The classic design principle for an oxide electrocatalyst believes that point defect engineering, such as oxygen vacancies (VO .. ) or heteroatom doping, offers the opportunities to manipulate the electronic structure of material toward optimal OER activity. Oppositely, in this work, we discover a counterintuitive phenomenon that both VO .. and an aliovalent dopant (i.e., proton (H + )) in perovskite nickelate (i.e., NdNiO 3 (NNO)) have a considerably detrimental effect on intrinsic OER performance. Detailed characterizations unveil that the introduction of these point defects leads to a decrease in the oxidative state of Ni and weakens Ni-O orbital hybridization, which triggers the local electron-electron correlation and a more insulating state. Evidenced by first-principles calculation using the density functional theory (DFT) method, the OER on nickelate electrocatalysts follows the lattice oxygen mechanism (LOM). The incorporation of point defect increases the energy barrier of transformation from OO*(V O ) to OH*(V O ) intermediates, which is regarded as the rate-determining step (RDS). Furthermore, this work offers a new and significant perspective of the role that lattice defects play in the OER process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Chemical and Electronic Properties of Stability-Enhanced, Mixed Ir-TiO x Oxygen Evolution Reaction Catalysts

Iridium has emerged as the leading catalyst material for the anodic oxygen evolution reaction (OER) in acidic media. Often, iridium is mixed with more stable materials such as titanium. For these materials, the electronic structure of titanium plays a crucial role since with varying degrees of oxidation titanium transforms to semiconducting or even insulating phases. Yet, the electronic properties of mixed Ir-TiO x catalysts have never been systematically studied. In this study, we correlate the catalytic performance of mixed Ir-TiO x -based OER catalysts with the electronic structure of the surface layers. For this, a thin film material library with a 20-70 at. % Ir (Ir/[Ir + Ti]) compositional gradient was prepared. We used inductively coupled plasma mass spectrometry to test the OER activity and stability of the set of mixed Ir-TiO x catalyst candidate materials. Complementary, Ti L 2,3 - and O K-edge X-ray absorption spectroscopy and depth-dependent X-ray photoelectron spectroscopy measurements were performed to correlate the catalytic performance with the composition and electronic property profiles of these mixed Ir-TiO x OER anode catalysts. The spectroscopic analysis reveals that titanium is present as an intermixed matrix of semiconductive but stable TiO 2 , conductive but less stable titanium-suboxides (TiO x ), and highly conductive but highly unstable metallic Ti(0). The extent of the titanium oxidation strongly depends on the titanium content, with a lower degree of oxidation observed for lower titanium (and thus higher iridium) contents. For an iridium loading of 70 at. %, the respective mixed Ir-TiO x catalyst showed a similar OER activity to that of the pure metallic iridium (1.74 vs 1.59 VRHE, respectively) but with a 71% lower iridium dissolution rate relative to the pure metallic iridium. This demonstrates the stabilization effect of titanium addition while maintaining high OER activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Control-structure-thermal interactions in analysis of lunar telescopes

The lunar telescope project was an excellent model for the CSTI study because a telescope is a very sensitive instrument, and thermal expansion or mechanical vibration of the mirror assemblies will rapidly degrade the resolution of the device. Consequently, the interactions are strongly coupled. The lunar surface experiences very large temperature variations that range from approximately -180 C to over 100 C. Although the optical assemblies of the telescopes will be well insulated, the temperature of the mirrors will inevitably fluctuate in a similar cycle, but of much smaller magnitude. In order to obtain images of high quality and clarity, allowable thermal deformations of any point on a mirror must be less than 1 micron. Initial estimates indicate that this corresponds to a temperature variation of much less than 1 deg through the thickness of the mirror. Therefore, a lunar telescope design will most probably include active thermal control, a means of controlling the shape of the mirrors, or a combination of both systems. Historically, the design of a complex vehicle was primarily a sequential process in which the basic structure was defined without concurrent detailed analyses or other subsystems. The basic configuration was then passed to the different teams responsible for each subsystem, and their task was to produce a workable solution without requiring major alterations to any principal components or subsystems. Consequently, the final design of the vehicle was not always the most efficient, owing to the fact that each subsystem design was partially constrained by the previous work. This procedure was necessary at the time because the analysis process was extremely time-consuming and had to be started over with each significant alteration of the vehicle. With recent advances in the power and capacity of small computers, and the parallel development of powerful software in structural, thermal, and control system analysis, it is now possible to produce very detailed analyses of intermediate designs in a much shorter period of time. The subsystems can thus be designed concurrently, and alterations in the overall design can be quickly adopted into each analysis; the design becomes an iterative process in which it is much easier to experiment with new ideas, configurations, and components. Concurrent engineering has the potential to produce efficient, highly capable designs because the effect of one subystem on another can be assessed in much more detail at a very early point in the program. The research program consisted of several tasks: scale a prototype telescope assembly to a 1 m aperture, develop a model of the telescope assembly by using finite element (FEM) codes that are available on site, determine structural deflections of the mirror surfaces due to the temperature variations, develop a prototype control system to maintain the proper shape of the optical elements, and most important of all, demonstrate the concurrent engineering approach with this example. In addition, the software used for the finite element models and thermal analysis was relatively new within the Program Development Office and had yet to be applied to systems this large or complex; understanding the software and modifying it for use with this project was also required. The I-DEAS software by Structural Dynamics Research Corporation (SDRC) was used to build the finite element models, and TMG developed by Maya Heat Transfer Technologies, Ltd. (which runs as an I-DEAS module) was used for the thermal model calculations. All control system development was accomplished with MATRIX(sub X) by Integrated Systems, Inc.

Thompson, Roger C.↗

Mechanistic Elucidation of Electronically Conductive PEDOT:PSS Tailored Binder for a Potassium‐Ion Battery Graphite Anode: Electrochemical, Mechanical, and Thermal Safety Aspects

Potassium-ion batteries (KIBs) are considered more appropriate for grid-scale storage than lithium-ion batteries (LIBs) due to similar operating chemistry, abundant precursors, and compatibility with low-cost graphite anodes. However, a larger ion reduces rate capabilities and exacerbates capacity fading from volumetric expansion. In this report, conductive polymer, poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS), is substituted for standard insulating polyvinylidene fluoride (PVDF). Half-cells using carbon black (CB) in continuously conductive PEDOT:PSS/CB binder outperforms PVDF/CB by mitigating electrically isolated “dead” graphite, improving 100 cycle capacity retention at C/10 from 63 to 80%. Enhanced electrical contact with PEDOT:PSS/CB also reduces ion impedance and improves rate capabilities. Without CB however, PEDOT:PSS binder performs poorly in electrochemical studies despite promising ex situ electronic conductivity. This discrepancy is mechanistically elucidated through identification of redox activity between PEDOT:PSS and K + which results in high impedances in the anode operating voltage window. Additionally, the impact of conducting binder on mechanical properties and thermal safety of the anode is investigated. Brittleness and poor wettability of PEDOT:PSS are identified as issues, but greater stability against reactive KC 8 reduces overall heat generation. Binder substitution offers a promising means of mitigating issues with current KIB anodes regardless of active material, and the work herein addresses issues towards further improvement.

electrochemical impedance spectroscopy↗

Evaluation Of Risk And Possible Mitigation Schemes For Previously Unidentified Hazards

This report presents the results of arc track testing conducted to determine if such a transfer of power to un-energized wires is possible and/or likely during an arcing event, and to evaluate an array of protection schemes that may significantly reduce the possibility of such a transfer. The results of these experiments may be useful for determining the level of protection necessary to guard against spurious voltage and current being applied to safety critical circuits. It was not the purpose of these experiments to determine the probability of the initiation of an arc track event only if an initiation did occur could it cause the undesired event: an inadvertent thruster firing. The primary wire insulation used in the Orbiter is aromatic polyimide, or Kapton , a construction known to arc track under certain conditions [3]. Previous Boeing testing has shown that arc tracks can initiate in aromatic polyimide insulated 28 volts direct current (VDC) power circuits using more realistic techniques such as chafing with an aluminum blade (simulating the corner of an avionics box or lip of a wire tray), or vibration of an aluminum plate against a wire bundle [4]. Therefore, an arc initiation technique was chosen that provided a reliable and consistent technique of starting the arc and not a realistic simulation of a scenario on the vehicle. Once an arc is initiated, the current, power and propagation characteristics of the arc depend on the power source, wire gauge and insulation type, circuit protection and series resistance rather than type of initiation. The initiation method employed for these tests was applying an oil and graphite mixture to the ends of a powered twisted pair wire. The flight configuration of the heater circuits, the fuel/oxider (or ox) wire, and the RCS jet solenoid were modeled in the test configuration so that the behavior of these components during an arcing event could be studied. To determine if coil activation would occur with various protection wire schemes, 145 tests were conducted using various fuel/ox wire alternatives (shielded and unshielded) and/or different combinations of polytetrafuloroethylene (PTFE), Mystik tape and convoluted wraps to prevent unwanted coil activation. Test results were evaluated along with other pertinent data and information to develop a mitigation strategy for an inadvertent RCS firing. The SSP evaluated civilian aircraft wiring failures to search for aging trends in assessing the wire-short hazard. Appendix 2 applies Weibull statistical methods to the same data with a similar purpose.

Linzey, William↗

NASA Tech Briefs, September 2011

Topics covered include: Fused Reality for Enhanced Flight Test Capabilities; Thermography to Inspect Insulation of Large Cryogenic Tanks; Crush Test Abuse Stand; Test Generator for MATLAB Simulations; Dynamic Monitoring of Cleanroom Fallout Using an Air Particle Counter; Enhancement to Non-Contacting Stress Measurement of Blade Vibration Frequency; Positively Verifying Mating of Previously Unverifiable Flight Connectors; Radiation-Tolerant Intelligent Memory Stack - RTIMS; Ultra-Low-Dropout Linear Regulator; Excitation of a Parallel Plate Waveguide by an Array of Rectangular Waveguides; FPGA for Power Control of MSL Avionics; UAVSAR Active Electronically Scanned Array; Lockout/Tagout (LOTO) Simulator; Silicon Carbide Mounts for Fabry-Perot Interferometers; Measuring the In-Process Figure, Final Prescription, and System Alignment of Large; Optics and Segmented Mirrors Using Lidar Metrology; Fiber-Reinforced Reactive Nano-Epoxy Composites; Polymerization Initiated at the Sidewalls of Carbon Nanotubes; Metal-Matrix/Hollow-Ceramic-Sphere Composites; Piezoelectrically Enhanced Photocathodes; Iridium-Doped Ruthenium Oxide Catalyst for Oxygen Evolution; Improved Mo-Re VPS Alloys for High-Temperature Uses; Data Service Provider Cost Estimation Tool; Hybrid Power Management-Based Vehicle Architecture; Force Limit System; Levitated Duct Fan (LDF) Aircraft Auxiliary Generator; Compact, Two-Sided Structural Cold Plate Configuration; AN Fitting Reconditioning Tool; Active Response Gravity Offload System; Method and Apparatus for Forming Nanodroplets; Rapid Detection of the Varicella Zoster Virus in Saliva; Improved Devices for Collecting Sweat for Chemical Analysis; Phase-Controlled Magnetic Mirror for Wavefront Correction; and Frame-Transfer Gating Raman Spectroscopy for Time-Resolved Multiscalar Combustion Diagnostics.

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Liquid Hydrogen and other Cryogenic Instrumentation Experience at NASA Glenn

NASA has learned extensive lessons on instrumentation of hydrogen systems during technology developments activities focused on the development of in-space cryogenic fluid management technologies. A subset of these lessons that are useful for aircraft and terrestrial applications using liquid hydrogen are presented to help disseminate the information learned. Discussion includes temperature, pressure, flow, and mass gauging options.

Liquid Hydrogen↗

Cleaner Air for Home and Office

Increased insulation has led to higher concentrations in homes and offices of toxic chemicals caused by emissions from synthetic building components. Recent NASA research regarding future interplanetary manned spacecraft has shown that certain plants can absorb gasses, reducing indoor air pollution. After working with water purifying water hyacinths, Dr. B. C. Wolverton at NSTL developed a carbon/plant filter system to remove chemicals, smoke, etc. Two companies have commercialized the system. Bio-safe provides plants, a bed of activated carbon and an air pump installed near the plant's roots. Pollutants are trapped by the charcoal and either digested by the roots or broken down by microorganisms. Purified air is then directed back into the room. Applied Indoor Resource Company markets Bio-Pure, which includes plants on a layer of patented soil medium with activated carbon. Legumes and mosses filter the air; a blower moves air through the filtering system for cleansing by microorganisms. Research at NSTL continues, and the system may eventually be enlarged.

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Measured and computed performance of a microstrip filter composed of semi-insulating GaAs on a fused quartz substrate

The performance of a microstrip hammerhead filter that has been fabricated on an electrically thin layer of semiinsulating GaAs backed by a fused quartz substrate was measured and compared to results of a three-dimensional finite-difference time-domain (FD-TD) program used to calculate the response of the filter both with and without the GaAs layer. The program, presented by Sheen et al. (1990), discretizes the entire structure and then simulates the propagation of a Gaussian pulse through the filter. The microstrip filter is intended for applications involving ultrathin lifted-off or etched-back GaAs containing both active devices and passive microstrip circuitry backed by a much thicker mechanically rigid low-loss, low-dielectric-constant substrate. The low-pass characteristics of the hammerhead filter with the intermediate GaAs layer are compared with those of the same filter on quartz alone. Both the measured and computed data show a significant shift in cutoff frequency (about 10 percent at the 3 dB points) for a GaAs layer that is 0.007 wavelengths thick at 4 GHz.

Siegel, Peter H.↗

Electron irradiation effects on the optical properties of Hf- and Zn-doped β -Ga 2 O 3

Optical and electrical properties of Hf- and Zn-doped β-Ga 2 O 3 samples, which are n-type and insulating, respectively, were altered via high-energy electron irradiation at 2.5 or 0.5 MeV. The β-Ga 2 O 3 :Hf samples irradiated with 2.5 MeV electrons experienced a color change from blue to yellow and a large drop in conductivity, attributed to the creation of gallium vacancies, which compensate donors. This irradiation resulted in the absence of free carrier absorption and the presence of Cr 3+ photoluminescence (PL). PL mapping prior to irradiation revealed optically active ZnO precipitates that formed during the growth of β-Ga 2 O 3 :Zn. These precipitates have a 384 nm (3.23 eV) stacking fault emission in the core; in the outer shell of the precipitate, the PL blue-shifts to 377 nm (3.29 eV) and a broad defect band is observed. After 0.5 MeV electron irradiation, the defect band broadened and increased in intensity. The blue PL band (435 nm) of β-Ga 2 O 3 was enhanced for both Hf- and Zn-doped samples irradiated with 0.5 MeV. This enhancement is correlated with an increase in oxygen vacancies.

36 MATERIALS SCIENCE↗

Investigation of the effect of local atomic polarization on field-enhanced ion transport in insulating binary oxides: The case of CeO 2

Over the course of more than 70 years, several theoretical models for electric field-enhanced ion diffusion in crystalline insulators have been presented. However, there is no assessment of the validity of these models despite the urge to have a correct description of field-enhanced ion diffusion in several emerging technologies. Herein, an assessment of five models was carried out by computing the field-dependent migration enthalpy ΔH mig (E) for the oxide ion in CeO 2 . The input to these models is the zero-field and zero-temperature migration pathway and/or the activation barrier obtained from an interatomic potential. ΔH mig (E) from these models was compared with reference values obtained from a set of classical molecular-dynamics simulations in the temperature range of 1000 ≤ T ≤ 1600 K and the electric field range of 0 ≤ E ≤ 30 MV/cm. It is revealed that the most successful theoretical models are those that consider local polarization effects induced in the diffusing ion itself and its vicinity. However, all the models did not account for the effect of the electric field and finite temperature on the local polarization, leading to discrepancies between the predicted and the reference ΔH mig (E), particularly at high fields. By comparing results from a rigid-ion potential and a polarizable core-shell potential, it is concluded that an intraionic polarization degree of freedom in the polarizable potential is an important factor in predicting ΔH mig (E), regardless of the field-enhanced diffusion model particularly for low to moderate field. Finally, future more accurate treatments should consider the field- and temperature-dependent interionic and intraionic local polarization effects.

36 MATERIALS SCIENCE↗

Remediation Technologies Eliminate Contaminants

All research and development has a story behind it, says Jacqueline Quinn, environmental engineer at Kennedy Space Center. For Quinn, one such story begins with the Saturn 1B launch stand at Kennedy and ends with a unique solution to a challenging environmental problem. Used in a number of Apollo missions and during the Skylab program, the Saturn 1B launch stand was dismantled following the transition to the Space Shuttle Program and stored in an open field at Kennedy. Decades later, the Center s Environmental Program Office discovered evidence of chemicals called polychlorinated biphenyls (PCBs) in the field s soil. The findings were puzzling since PCBs a toxin classified as a probable carcinogen by the Environmental Protection Agency (EPA) have been banned in the United States since 1979. Before the ban, PCBs were commonly used in transformer oils that leached into the ground when the oils were changed out and dumped near transformer sites, but there were no electrical transformers near the dismantled stand. It soon became apparent that the source of the PCBs was the launch stand itself. Prior to the ban, PCBs were used extensively in paints to add elasticity and other desirable characteristics. The PCB-laden paint on the Saturn 1B launch stand was flaking off into the field s soil. Nobody knew there were PCBs in the paint, says Quinn, noting that the ingredient was not monitored carefully when it was in use in 1960s. In fact, she says, the U.S. EPA was not even established until 1970, a year after Neil Armstrong first set foot on the Moon. Nobody knew any better at the time, Quinn says, but today, we have the responsibility to return any natural environmental media to as close to pristine a condition as possible. Quinn, fellow engineer Kathleen Loftin, and other Kennedy colleagues already had experience developing unprecedented solutions for environmental contamination; the team invented the emulsified zero-valent iron (EZVI) technology to safely treat groundwater tainted by chlorinated solvents once used to clean rocket engine components. The award-winning innovation (Spinoff 2010) is now NASA s most licensed technology to date. PCBs in paint presented a new challenge. Removing the launch stand for recycling proved a difficult operation; the toxic paint had to be fully stripped from the steel structure, a lengthy and costly process that required the stripped paint to be treated before disposal. Noting the lack of efficient, environmentally friendly options for dealing with PCBs, Quinn and her colleagues developed the Activated Metal Treatment System (AMTS). AMTS is a paste consisting of a solvent solution containing microscale particles of activated zero-valent metal. When applied to a painted surface, the paste extracts and degrades the PCBs into benign byproducts while leaving the paint on the structure. This provides a superior alternative to other methods for PCB remediation, such as stripping the paint or incinerating the structure, which prevents reuse and can release volatized PCBs into the air. Since its development, AMTS has proven to be a valuable solution for removing PCBs from paint, caulking, and various insulation and filler materials in older buildings, naval ships, and former munitions facilities where the presence of PCBs interferes with methods for removing trace explosive materials. Miles of potentially toxic caulking join sections of runways at airports. Any of these materials installed before 1979 potentially contain PCBs, Quinn says. "This is not just a NASA problem," she says. "It s a global problem."

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Solar Flare Track Exposure Ages in Regolith Particles: A Calibration for Transmission Electron Microscope Measurements

Mineral grains in lunar and asteroidal regolith samples provide a unique record of their interaction with the space environment. Space weathering effects result from multiple processes including: exposure to the solar wind, which results in ion damage and implantation effects that are preserved in the rims of grains (typically the outermost 100 nm); cosmic ray and solar flare activity, which result in track formation; and impact processes that result in the accumulation of vapor-deposited elements, impact melts and adhering grains on particle surfaces. Determining the rate at which these effects accumulate in the grains during their space exposure is critical to studies of the surface evolution of airless bodies. Solar flare energetic particles (mainly Fe-group nuclei) have a penetration depth of a few millimeters and leave a trail of ionization damage in insulating materials that is readily observable by transmission electron microscope (TEM) imaging. The density of solar flare particle tracks is used to infer the length of time an object was at or near the regolith surface (i.e., its exposure age). Track measurements by TEM methods are routine, yet track production rate calibrations have only been determined using chemical etching techniques [e.g., 1, and references therein]. We used focused ion beam-scanning electron microscope (FIB-SEM) sample preparation techniques combined with TEM imaging to determine the track density/exposure age relations for lunar rock 64455. The 64455 sample was used earlier by [2] to determine a track production rate by chemical etching of tracks in anorthite. Here, we show that combined FIB/TEM techniques provide a more accurate determination of a track production rate and also allow us to extend the calibration to solar flare tracks in olivine.

Berger, Eve L.↗

Metal-insulator transition and doping-induced phase change in Ge 2 Sb 2 Se 5x Te 5-5x

Ge 2 Sb 2 Te 5 (GST-225), a phase change material (PCM) with vast differences in the electrical and optical characteristics between its amorphous and crystalline phases, is revisited to explore its properties with Se doping. GST crystallizes in a layered hexagonal ground state, while the precursor to the amorphous state is a distorted rock salt like structure with vacancies at the Ge/Sb sites. Upon doping, liquid nitrogen quenched Ge 2 Sb 2 Se 5x Te 5-5x (GSST-225) exhibits a direct hexagonal-to-amorphous phase change above x > 0.8, whereas the rock salt like structure appears as a second phase with a volume fraction that does not change as a function of the doping. The phase change is accompanied by a metal-to-insulator transition (MIT), with a several orders of magnitude increase in the resistivity on approaching the amorphous state. Additionally, a similar MIT is observed even without the phase change in hexagonal crystals with doping levels above x >0.8. On warming amorphous GSST (x = 0.9) above room temperature, a reversal to the hexagonal phase occurs with a re-crystallization onset temperature (T c ) above 300 °C, much higher than the T c (~170 °C) of amorphous GST and an activation energy of 1.47 eV, which is comparable to good glass formers.

36 MATERIALS SCIENCE↗

Apollo 13 Mission: Cryogenic Oxygen Tank 2 Anomaly Report

There were two investigative aspects associated with the loss of the cryogenic oxygen tank pressure during the Apollo 13 flight. First, what was the cause of the flight failure of cryogenic oxygen tank 2. Second, what possible contributing factors during the ground history of the tank could have led to the ultimate failure in flight. The first flight indication of a problem occurred when the quantity measurement in the tank went full scale about 9 hours before the incident. This condition in itself could not have contributed to ignition in the tank, since the energy in the circuit is restricted to about 7 milli-joules. Data from the electrical system provided the second indication of a problem when the fans in tank 2 were activated to reduce any stratification which might have been present in the supercritical oxygen in the tank. Several short-circuits were detected and have been isolated to the fan circuits of tank 2. The first short-circuit could have contained as much as 160 joules of energy, which is within the current-protection level of the fan circuits. Tests have shown that two orders of magnitude less energy than this is sufficient to ignite the polytetrafluoroethylene insulation on the fan circuits in the tank. Consequently, the evidence indicates that the insulation on the fan wiring was ignited by the energy in the short-circuit.

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Liquid water and active resurfacing on Europa

Arguments for recent resurfacing of Europa by H2O from a liquid layer are presented, based on new interpretations of recent spacecraft and earth-based observations and revised theoretical calculations. The heat flow in the core and shell due to tidal forces is discussed, and considerations of viscosity and convection in the interior are found to imply water retention in the outer 60 km or so of the silicates, forming a layer of water/ice many tens of km thick. The outer ice crust is considered to be too thin to support heat transport rates sufficient to freeze the underlying water. Observational evidence for the calculations would consist of an insulating layer of frosts derived from water boiling up between cracks in the surface crust. Evidence for the existence of such a frost layer, including the photometric function of Europa and the deposits of sulfur on the trailing hemisphere, is discussed.

Squyres, S. W.↗

United States cool surfaces deployment plan

Solar-reflective building envelope surfaces, such as cool roofs and walls, can be especially helpful in disadvantaged communities that often have poorly insulated older homes, aging or absent air conditioning units, steep utility bills, polluted air, and high vulnerability and exposure to extreme heat. With support from the U.S. Department of Energy, our project seeks to dramatically increase the climate-appropriate deployment of cool surfaces across the United States with an emphasis on their application to disadvantaged communities. First, we sought to identify cool-surface deployment barriers, opportunities, and models by (a) reviewing the history of cool-surface deployment activities, (b) interviewing cool-surface stakeholders, (c) researching successful energy-efficiency/green building deployment models; and (d) interviewing the actors who have implemented these models. Second, we conducted a workshop to engage stakeholders in development of a deployment plan. Third, we asked several U.S. federal agencies (a) how cool surfaces and cool surface stakeholders could support their missions and (b) how agency activities could support cool-surface deployment. Fourth, we identified a set of transformative ideas that form the core of the deployment plan. Transformative ideas include but are not limited to initiatives to (a) launch an educational campaign to make the general public and building professionals aware of how cool roofs and walls exclude unwanted solar heat; (b) create a “Cool Roof Prize” stimulating the development of affordable, high-performance cool asphalt roofing shingles; (c) conduct high-profile, large-scale demonstration programs that bring cool surfaces to disadvantaged heat-vulnerable communities; and (d) support local, regional, and state climate action (heat mitigation) plans with cool surfaces.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Diffusion coefficients predicting facet-dependent crystallization in amorphous silicon nitride

Amorphous silicon nitride is a common material in microelectronics devices, which acts as an insulating barrier. Extended annealing times at elevated temperature can initiate crystallization of α-Si 3 ⁢ N 4 , which does not possess the same barrier properties. Molecular dynamics can resolve the fundamental mechanism for α-Si 3 ⁢N 4 crystallization and the influence of local environments. Here, we compare two interatomic potentials and conclude that these models predict structural features (e.g., angular distributions and densities) which span the range of experimental measurements. We confirmed these models reproduce experimental estimates of activation energy and leveraged these models to identify crystallization drivers. We conclude that near-T g , facet-dependent silicon nitride crystal growth rates can be predicted directly by either bulk or interfacial diffusion properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗