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At least 379 records · Page 21

A Comprehensive Machine Learning Study to Classify Precipitation Type over Land from Global Precipitation Measurement Microwave Imager (GPM-GMI) Measurements

Precipitation type is a key parameter used for better retrieval of precipitation characteristics as well as to understand the cloud–convection–precipitation coupling processes. Ice crystals and water droplets inherently exhibit different characteristics in different precipitation regimes (e.g., convection, stratiform), which reflect on satellite remote sensing measurements that help us distinguish them. The Global Precipitation Measurement (GPM) Core Observatory’s microwave imager (GMI) and dual-frequency precipitation radar (DPR) together provide ample information on global precipitation characteristics. As an active sensor, the DPR provides an accurate precipitation type assignment, while passive sensors such as the GMI are traditionally only used for empirical understanding of precipitation regimes. Using collocated precipitation type flags from the DPR as the “truth”, this paper employs machine learning (ML) models to train and test the predictability and accuracy of using passive GMI-only observations together with ancillary information from a reanalysis and GMI surface emissivity retrieval products. Out of six ML models, four simple ones (support vector machine, neural network, random forest, and gradient boosting) and the 1-D convolutional neural network (CNN) model are identified to produce 90–94% prediction accuracy globally for five types of precipitation (convective, stratiform, mixture, no precipitation, and other precipitation), which is much more robust than previous similar effort. One novelty of this work is to introduce data augmentation (subsampling and bootstrapping) to handle extremely unbalanced samples in each category. A careful evaluation of the impact matrices demonstrates that the polarization difference (PD), brightness temperature (Tc) and surface emissivity at high-frequency channels dominate the decision process, which is consistent with the physical understanding of polarized microwave radiative transfer over different surface types, as well as in snow and liquid clouds with different microphysical properties. Furthermore, the view-angle dependency artifact that the DPR’s precipitation flag bears with does not propagate into the conical-viewing GMI retrievals. This work provides a new and promising way for future physics-based ML retrieval algorithm development.

machine learning/artificial intelligence↗

Limited subsolidus diffusion in type B1 CAI: Evidence from Ti distribution in spinel

Most models of calcium aluminum-rich inclusions (CAI) have focused on early stages of formation by equilibrium crystallization of a homogeneous liquid. Less is known about the subsolidus cooling history of CAI. Chemical and isotopic heterogeneties on a scale of tens to hundreds of micrometers (e.g. MacPherson et al. (1989) and Podosek, et al. (1991)) suggest fairly rapid cooling with a minimum of subsolidus diffusion. However, transmission electron microscopy indicates that solid state diffusion may have been an important process at a smaller scale (Barber et al. 1984). If so, chemical evidence for diffusion could provide constraints on cooling times and temperatures. With this in mind, we have begun an investigation of the Ti distribution in spinels from two type B1 CAI from Allende to determine if post-crystallization diffusion was a significant process. The type B1 CAIs, 3529Z and 5241 have been described by Podosek et al. (1991) and by El Goresy et al. (1985) and MacPherson et al. (1989). We have analyzed spinels in these inclusions using the electron microprobe. These spinels are generally euhedral, range in size from less than 10 to 15 micron and are poikilitically enclosed by millimeter-sized pyroxene, melilite, and anorthite. Analyses were obtained from both the mantles and cores of the inclusions. Compositions of pyroxene in the vicinity of individual spinel grains were obtained by analyzing at least two points on opposite sides of the spinel and averaging the compositions. The pyroxene analyses were obtained within 15 microns of the spinel-pyroxene interface. No compositional gradients were observed within single spinel crystals. Ti concentrations in spinels included within pyroxene, melilite, and anorthite are presented.

Meeker, G. P.↗

Scaling Evaluation of Ice-Crystal Icing on a Modern Turbofan Engine in PSL Using the COMDES-MELT Code

This paper presents preliminary ice-crystal icing (ICI) altitude scaling evaluation results of a Honeywell Uncertified Research Engine (HURE) that was tested in the NASA Glenn Research Center Propulsion Systems Laboratory (PSL) during January of 2018. This engine geometry features a hidden core design to keep the core less exposed. The engine was fitted with internal video cameras to observe various ice buildup processes at multiple selected locations within the engine core flow path covering the fan stator, the splitter-lip/shroud/strut, and the high pressure compressor (HPC) variable inlet guide vane (IGV) regions. The potential ice accretion risk was pre-determined to occur by using NASA’s in-house 1D Engine Icing Risk assessment code, COMDES-MELT. The code was successful in predicting the risk of ice accretion in adiabatic regions like the fan-stator of the HURE at specific engine operating points. However at several operating points during the test, liquid water was observed running along the shroud toward the variable IGV of the HPC regions with an air temperature well below freezing, thus no particle melting could have occurred due to heating from the air alone. It was reasoned that other sources of heat were present in that region. To account for these heat sources the inlet total temperature was adjusted to give a wet bulb temperature of 24 F below the standard minimum wet bulb temperature of 492 R to allow ice to accrete in the splitter-lip/shroud/strut region, which was determined from a reference case where hard ice was observed in that region. With that adjustment the COMDES-MELT code was successful in providing operating points where there was a risk of ice accretion during the test campaign. In addition to calculating possible conditions at different selected lower altitudes, simulations were run to determine potential inlet conditions that could lead to ice-crystal accretion along the prescribed stations where the cameras were available. From there, scaled test conditions were determined by best matching the following three icing related parameters of the reference condition: (1) the local air total wet bulb temperature, (2) the local ice crystal cloud melt ratio and (3) the engine fan face ice/water to air mass flux ratio of the ice crystal cloud. Instantaneous images taken from the time-lapsed movies of ice buildup were used along with the relevant thermodynamic data of air, water vapor and local icing condition to help evaluate how closely the proposed altitude scaling method could be used in ground based test facility to duplicate selected reference ICI features observed at specific location inside this engine at different scale altitudes. Discussions on observed limitation for engine icing scaling application from this test campaign and needed improvement are provided. A scaling test procedure to help identify potential ICI risk conditions and possible ice accretion locations of a new turbofan engine is evaluated in PSL.

Engine Testing in PSL↗

Fassaite composition trends during crystallization of Allende Type B refractory inclusion melts

Major-, minor-, and trace-element zoning trends in fassaite from Type B1 and B2 inclusions from the Allende meteorite are defined by using electron and ion microprobe data. Fassaite/liquid distribution coefficients are calculated for many of the lithophile elements, and evidence for and against the presence of relict fassaite in these inclusions is discussed. Major-element zoning in fassaite in Type B CAIs is found from Ti-, V-, Sc-rich cores to relatively Mg-, Si-rich rims. Trace elements that are incompatible in this fassaite are Nb (effective fassaite/liquid distribution = 0.29), Y(0.52), Ta(0.34), Th(0.053), U(0.4), and rare earth elements (0.31-0.48), while compatible trace elements are Zr(1.1) and Hf(1.5). Rare-earth-elements (RRE) abundances in fassaite are found to be controlled by crystal/liquid fractionation. Candidates for relict fassaite grains are discovered: Ti-, Sc-rich, REE-poor crystals enclosed in melilite in the mantle of TS34.

Simon, Steven B.↗

Twisted A-D-A Type Acceptors with Thermally-Activated Delayed Crystallization Behavior for Efficient Nonfullerene Organic Solar Cells

We report that molecular aggregation and crystallization during film coating play a crucial role in the realization of high-performing organic photovoltaics. Strong intermolecular interactions and high solid-state crystallinity are beneficial for charge transport. However, fast crystallization during thin-film drying often limits the formation of the finely phase-separated morphology required for efficient charge generation. Herein, the authors show that twisted acceptor-donor-acceptor (A-D-A) type compounds, containing an indacenodithiophene (IDT) electron-rich core and two naphthalenediimide (NDI) electron-poor units, leads to formation of mostly amorphous phases in the as-cast film, which can be readily converted into more crystalline domains by means of thermal annealing. This design strategy solves the aforementioned conundrum, leading to an optimal morphology in terms of reduced donor/acceptor domain-separation sizes (ca. 13 nm) and increased packing order. Solar cells based on these acceptors with a PBDB-T polymer donor show a power conversion efficiency over 10% and stable morphology, which results from the combined properties of desirable excited-state dynamics, high charge mobility, and optimal aggregation/crystallization characteristics. These results demonstrate that the twisted A-D-A motif featuring thermally-induced crystallization behavior is indeed a promising alternative design approach toward more morphologically robust materials for efficient organic photovoltaics.

14 SOLAR ENERGY↗

Nanoscale microstructure and chemistry of transparent gahnite glass-ceramics revealed by atom probe tomography

The nanoscale microstructure and chemistry of a transparent gahnite glass-ceramic and its precursor glass were investigated using atom probe tomography, transmission electron microscopy, and nuclear magnetic resonance spectroscopy. In the annealed precursor glass, statistically significant ZrO clustering was observed along with Si depletion within 2 nm of the ZrO clusters. This clustering is expected to be the first step in the nucleation and crystallization of the nucleating agent, ZrO 2 . In the glass-ceramic, gahnite (ZnAl 2 O 4 ) crystallites were found to exist in proximal locations to ZrO 2 and not in a core-shell arrangement. The residual glass composition was directly measured by atom probe, showing higher concentrations of Al, Zn, and Zr than previously expected. At the interfaces between the crystallites and residual glass, no enrichment or depletion zones were found. Our findings provide answers to outstanding questions surrounding the nucleation and elemental partitioning, microstructure, and the residual glass composition of transparent gahnite glass-ceramics.

36 MATERIALS SCIENCE↗

Radiogenic heating of comets by 26Al and implications for their time of formation

The effect of radiogenic heating on the thermal evolution of spherical icy bodies with radii 1 km < R < 100 km was investigated. The radioisotopes considered were 26Al, 40K, 232Th, 235U, and 238U. Except for the 26Al abundance, which was varied, the other initial abundances were kept fixed, at values derived from those of chondritic meteorites and corresponding to a gas-to-dust ratio of 1. The initial models were homogeneous and isothermal (To = 10 K) amorphous ice spheres, in a circular orbit at 10(4) AU from the Sun. The main object of this study was to examine the conditions under which the transition temperature from amorphous into cubic ice (Ta = 137 K) would be reached. It was shown that the influence of the short-lived radionuclide 26Al dominates the effect of other radioactive species for bodies of radii up to approximately 50 km. Consequently, if we require comets to retain their ice in amorphous form, as suggested by observations, an upper limit of approximately 4 x 10(-9) is obtained for the initial 26Al abundance in comets, a factor of 100 lower than that of the inclusions in the Allende meteorite. A lower limit for the formation time of comets may thus be derived. The possibility of a coexistence of molten cometary cores and extended amorphous ice mantles is ruled out. Larger icy spheres (R > 100 km) reached Ta even in the absence of 26Al, due to the decay of the other radionuclides. As a result, a crystalline core formed whose relative size depended on the composition assumed. Thus the outermost icy satellites in the solar system, which might have been formed of ice in the amorphous state, have probably undergone crystallization and may have exhibited eruptive activity when the gas trapped in the amorphous ice was released (e.g., Miranda).

Non-NASA Center↗

Multi-scale investigation on mechanical behavior and microstructural alteration of C-S-H in carbonated Alite paste

Carbonation treatment is a promising option to enhance recycled concrete aggregate (RCA) quality and eventually improve concrete performance. This study investigated the multi-scale mechanical properties of calcium silicate hydrates (C-S-H) in a mature alite paste subjected to accelerated carbonation treatment by testing macro compressive strength, microhardness and nanoindentation. The results show that, carbonation treatment resulted in a heterogeneous distribution of carbonation products in the alite sample. Reinforcement of C-S-H by the randomly precipitated calcite and vaterite crystals prevailed over the nano-structural and compositional alteration of C-S-H induced by carbonation, leading to an increase of nano-indentation modulus at the edge of the sample. Also, the microhardness at the edge zone was markedly higher than that at the core of the carbonated sample. The carbonated peripheral zone with improved nano-scale modulus and microhardness was likely serving as a “hard shell”, contributing to the improved macro compressive strength. The new insights into the multi-scale mechanical properties of carbonated C-S-H contribute to further understanding of the enhanced properties of RCA after carbonation treatment.

36 MATERIALS SCIENCE↗

What we have learned about Mars from SNC meteorites

The SNC meteorites are thought to be igneous martian rocks, based on their young crystallization ages and a close match between the composition of gases implanted in them during shock and the atmosphere of Mars. A related meteorite, ALH84001, may be older and thus may represent ancient martian crust. These petrologically diverse basalts and ultramafic rocks are mostly cumulates, but their parent magmas share geochemical and radiogenic isotopic characteristics that suggest they may have formed by remelting the same mantle source region at different times. Information and inferences about martian geology drawn from these samples include the following: Planetary differentiation occured early at approximately 4.5 GA, probably concurrently with accretion. The martian mantle contains different abundances of moderately volatile and siderophile elements and is more Fe-rich than that of the Earth, which has implications for its mineralogy, density, and origin. The estimated core composition has a S abundance near the threshold value for inner core solidification. The former presence of a core dynamo may be suggested by remanent magnetization in Shergottite-Nakhlite-Chassignite (SNC) meteorites, although these rocks may have been magnetized during shock. The mineralogy of martian surface units, inferred from reflectance spectra, matches that of basaltic shergottites, but SNC lithologies thought to have crystallized in the subsurface are not presently recognized. The rheological properties of martian magmas are more accurately derived form these metorites than from observations of martian flow morphology, although the sampled range of magma compositions islimited. Estimates of planetary water abundance and the amount of outgassed water based on these meteorites are contridictory but overlap estimates based on geological observations and atmospheric measurements. Stable isotope measurements indicate that the martian hydrosphere experienced only limited exchange with the lithosphere, but it is in isotopic equilibrium with the atmosphere and has been since 1.3 Ga. The isotopically heavy atmosphere/hydrosphere composition deduced from these rocks reflects a loss process more severe than current atmospheric evolution models, and the occurence of carbonates in SNC meteorites suggest that they, rather than scapolite or hydrous carbonates, are the major crustal sink for CO2. Weathering products in SNC meteorites support the idea of limited alteration of the lithosphere by small volumes of saline, CO2-bearing water. Atmospheric composition and evolution are further constrained by noble gases in these meteorites, although Xe and Kr isotopes suggest different origins for the atmosphere. Planetary ejection of these rocks has promoted an advance in the understanding of impact physics, which has been accomplished by a model involving spallation during large cratering events. Ejection of all the SNC meteorites (except ALH84001) in one or two events may provide a plausible solution to most constraints imposed by chronology, geochemistry, and cosmic ray exposure, although problems remain with this scenario; ALH84001 may represent older martian crust sampled during a separate impact.

Mcsween, Harry Y., Jr.↗

Plans and Preliminary Results of Fundamental Studies of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory

This presentation accompanies the paper titled Plans and Preliminary Results of Fundamental Studies of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory. NASA is evaluating whether PSL, in addition to full-engine and motor-driven-rig tests, can be used for more fundamental ice-accretion studies that simulate the different mixed-phase icing conditions along the core flow passage of a turbo-fan engine compressor. The data from such fundamental accretion tests will be used to help develop and validate models of the accretion process. This presentation (and accompanying paper) presents data from some preliminary testing performed in May 2015 which examined how a mixed-phase cloud could be generated at PSL using evaporative cooling in a warmer-than-freezing environment.

Ice-Crystal Ice Accretion↗

Fatty acid capped, metal oxo clusters as the smallest conceivable nanocrystal prototypes

Metal oxo clusters of the type M 6 O 4 (OH) 4 (OOCR) 12 (M = Zr or Hf) are valuable building blocks for materials science. Here, we synthesize a series of zirconium and hafnium oxo clusters with ligands that are typically used to stabilize oxide nanocrystals (fatty acids with long and/or branched chains). The fatty acid capped oxo clusters have a high solubility but do not crystallize, precluding traditional purification and single-crystal XRD analysis. We thus develop alternative purification strategies and we use X-ray total scattering and Pair Distribution Function (PDF) analysis as our main method to elucidate the structure of the cluster core. We identify the correct structure from a series of possible clusters (Zr3, Zr4, Zr6, Zr12, Zr10, and Zr26). Excellent refinements are only obtained when the ligands are part of the structure model. Further evidence for the cluster composition is provided by nuclear magnetic resonance (NMR), infrared spectroscopy (FTIR), thermogravimetry analysis (TGA), and mass spectrometry (MS). We find that hydrogen bonded carboxylic acid is an intrinsic part of the oxo cluster. Using our analytical tools, we elucidate the conversion from a Zr6 monomer to a Zr12 dimer (and vice versa), induced by carboxylate ligand exchange. Finally, we compare the catalytic performance of Zr12-oleate clusters with oleate capped, 5.5 nm zirconium oxide nanocrystals in the esterification of oleic acid with ethanol. The oxo clusters present a five times higher reaction rate, due to their higher surface area. Since the oxo clusters are the lower limit of downscaling oxide nanocrystals, we present them as appealing catalytic materials, and as atomically precise model systems. In addition, the lessons learned regarding PDF analysis are applicable to other areas of cluster science as well, from semiconductor and metal clusters, to polyoxometalates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Neutron stars.

Current theories of stellar evolution are examined, giving attention to neutrino emission processes and stellar collapse. Neutrinos can transfer energy produced in the collapsing core to the outer parts of the star. If the remaining core does not exceed a certain mass, it can remain in this highly condensed state to form a neutron star. The properties of neutron matter are discussed, taking into account the superfluid state, the crystallization of matter at subnuclear densities, aspects of rotation, and the magnetic field.

Chiu, H. Y.↗

Space Station Furnace Facility - A multipurpose, high temperature microgravity research facility

This paper describes the Space Station Furnace Facility (SSFF) program. The SSFF is a new development intended to provide an advanced facility for materials research in the microgravity environment of the Space Station. The SSFF will be designed for research in metals, oxides, glasses, and alloy solidification and crystal growth of electronic and electrooptical materials. The facility will be designed to process multiple samples in one or more furnaces in an automated mode. The SSFF will be built around a general facility core which will provide common support functions not provided by the Space Station, subsystems which could best be centralized, and common subsystems which could be distributed with each experiment module. The SSFF will be capable of operation in both the manned and unmanned mode and is scheduled for early deployment aboard the Space Station.

Kirkindall, Arthur S.↗

Modeling of a possible conformational change associated with the catalytic mechanism in the hammerhead ribozyme

Here we describe a possible model of the cleavage mechanism in the hammerhead ribozyme. In this model, the 2' hydroxyl of C17 is moved into an appropriate orientation for an in-line attack on the G1.1 phosphate through a change in its sugar pucker from C3' endo to C2' endo. This conformational change in the active site is caused by a change in the uridine turn placing the N2 and N3 atoms of G5 of the conserved core in hydrogen bonding geometry with the N3 and N2 atoms on the conserved G16.2 residue. The observed conformational change in the uridine turn suggests an explanation for the conservation of G5. In the crystal structure of H.M. Pley et al., Nature 372, 68-74 (1994), G5 is situated 5.3A away from G16.2. However, the uridine turn is sufficiently flexible to allow this conformational change with relatively modest changes in the backbone torsion angles (average change of 14.2 degrees). Two magnesium ions were modeled into the active site with positions analogous to those described in the functionally similar Klenow fragment 3'-5' exonuclease (L.S. Beese and T.A. Steitz, EMBO J. 10, 25-33 (1991)), the Group I intron (T.A. Steitz and J.A. Steitz, P.N.A.S. U.S.A. 90, 6498-6502 (1993); R.F. Setlik et al., J. Biomol. Str. Dyn. 10, 945-972 (1993)) and other phosphotransferases. Comparison of this model with one in which the uridine turn conformation was not changed showed that although the changes in the C17 sugar pucker could be modeled, insufficient space existed for the magnesium ions in the active site.

Non-NASA Center↗

Lunar and Planetary Science XXXVI, Part 22

The Lunar and Planetary Science XXXVI, Part 22 is presented. The topics include: 1) Pressure Histories from Thin and Thick Shock-induced Melt Veins in Meteorites; 2) Nano-structured Minerals as Signature of Microbial Activity; 3) The Insoluble Carbonaceous Material of CM Chondrites as Possible Source of Discrete Organics During the Asteroidal Aqueous Phase; 4) Discovery of Abundant Presolar Silicates in Subgroups of Antarctic Micrometeorites; 5) Characteristics of a Seismometer for the LUNAR-A Penetrator; 6) Heating Experiments of the HaH 262 Eucrite and Implication for the Metamorphic History of Highly Metamorphosed Eucrites; 7) Measurements of Ejecta Velocity Distribution by a High-Speed Video Camera; 8) Petrological Comparison of Mongolian Jalanash Ureilite and Twelve Antarctic Ureilites; 9) Metallographic Cooling Rate of IVA Irons Revisited; 10) Inhomogeneous Temperature Distribution in Chondrules in Shock-Wave Heating Model; 11) Subsurface Weathering of Rocks and Soils at Gusev Crater; 12) Extinct Radioactivities in the Early Solar System and the Mean Age of the Galaxy; 13) Correlation of Rock Spectra with Quantitative Morphologic Indices: Evidence for a Single Rock Type at the Mars Pathfinder Landing Site; 14) Silicon Isotopic Ratios of Presolar Grains from Supernovae; 15) Current Status and Readiness on In-Situ Exploration of Asteroid Surface by MINERVA Rover in Hayabusa Mission; 16) Long Formation Period of Single CAI: Combination of O and Mg Isotope Distribution; 17) Supra-Canonical Initial 26Al/27Al Indicate a 105 Year Residence Time for CAIs in the Solar Proto-Planetary Disk; 18) Evolution of Mercury's Obliquity; 19) First Results from the Huygens Surface Science Package; 20) Polyhedral Serpentine Grains in CM Chondrites; 21) Mountainous Units in the Martian Gusev Highland Region: Volcanic, Tectonic, or Impact Related? 22) Petrography of Lunar Meteorite MET 01210, A New Basaltic Regolith Breccia; 23) Earth-Moon Impacts at ~300 Ma and ~500 Ma Ago; 24) Chemical and Isotopic Analyses of Apollo 16 Glasses: An Integrated Approach; 25) Measuring the Surfaces on Mars; 26) Melting in Martian Snowbanks; 27) The Effect of Ni on Fe-FeS Phase Relations: Implications for the Chemistry of the Martian Core; 28) Shorelines in the Western United States as Analogs for Hypothesized Shoreline Features on Mars; 29) Al and Ti Isotopic Ratios of Presolar SiC Grains of Type Z; 30) Physicochemical Conditions of Clinopyroxene Crystallization in the Parental Bodies of Ordinary Chondrites; 31) Metamorphosed CM and CI Carbonaceous Chondrites Could be from the Breakup of the Same Earth-crossing Asteroid; 32) Aqueous Alteration and Hydrogen Generation on Parent Bodies of Unequilibrated Ordinary Chondrites: Thermodynamic Modeling for the Semarkona Composition; and 33) Preliminary Analysis of Relative Abundances of Hydrothermal Alteration Products in the C1-N10, Y6-N19, and Yax-1_863.51 Impact Melt Samples, Chicxulub Structure, Mexico

Source record↗

Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through‐Space Transport Pathways

Abstract The extension of reticular chemistry concepts to electrically conductive three‐dimensional metal–organic frameworks (MOFs) has been challenging, particularly for cases in which strong interactions between electroactive linkers create the charge transport pathways. Here, we report the successful replacement of tetrathiafulvalene (TTF) with a nickel glyoximate core in a family of isostructural conductive MOFs with Mn 2+ , Zn 2+ , and Cd 2+ . Different coordination environments of the framework metals lead to variations in the linker stacking geometries and optical properties. Single‐crystal conductivity data are consistent with charge transport along the linker stacking direction, with conductivity values only slightly lower than those reported for the analogous TTF materials. These results serve as a case study demonstrating how reticular chemistry design principles can be extended to conductive frameworks with significant intermolecular contacts.

Xie, Lilia S.↗

Materials under high pressure: a chemical perspective

At high pressure, the typical behavior of elements dictated by the periodic table, including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few, is altered dramatically. As pressure is applied, the energetic ordering of atomic orbitals shifts, allowing core orbitals to become chemically active, atypical electron congurations to occur, and in some cases,non-atom-centered orbitals to form in the interstices of solid structures. Strange stoichiometries, structures, and bonding motifs result. Crystal structure prediction tools, not burdened by preconceived notions about structural chemistry learned at atmospheric pressure, have been applied to great success to explore phase diagrams at high pressure, identifying novel structures in diverse chemical systems. Several of these phases have been subsequently synthesized. Experimentally, access to high-pressure regimes has been bolstered by advances in diamond anvil cell and dynamic com- pression techniques. Here, the joint efforts of experiment and theory have led to startling success stories in the realm of high-temperature superconductivity, identifying many novel phases (some of which have been synthesized) whose superconducting transition approaches room temperature.

36 MATERIALS SCIENCE↗

Atypical phase-change alloy Ga 2 Te 3 : atomic structure, incipient nanotectonic nuclei, and multilevel writing

Emerging brain-inspired computing, including artificial optical synapses, photonic tensor cores, neuromorphic networks, etc., needs phase-change materials (PCMs) of the next generation with lower energy consumption and a wider temperature range for reliable long-term operation. Gallium tellurides with higher melting and crystallization temperatures appear to be promising candidates and enable achieving the necessary requirements. Here, using high energy X-ray diffraction and Raman spectroscopy supported by first-principles simulations, we show that vitreous g-Ga 2 Te 3 films essentially have a tetrahedral local structure and sp 3 hybridization, similar to those in the stable fcc Ga 2 Te 3 polymorph and in contrast to a vast majority of typical PCMs. Nevertheless, optical pump–probe laser experiments revealed high-contrast, fast and reversible multilevel SET-RESET transitions raising a question related to the phase change mechanism. A recently observed nanotectonic compression in bulk glassy Ga–Te alloys seems to be responsible for the PCM performance. Incipient nanotectonic nuclei, reminiscent of monoclinic high-pressure HP-Te II and rhombohedral HP-Ga 2 Te 3 , are present as minorities (2–4%) in g-Ga 2 Te 3 but are suggested to grow dramatically with increasing temperature while interacting with appropriate laser pulses. This leads to co-crystallization of HP-polymorphs amplified by a high internal local pressure reaching 4–8 GPa. The metallic HP-forms provide an increasing optical and electrical contrast, favorable for reliable PCM operations, and higher energy efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗