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DOE OSTI2024

Machine Learning and Data Science to Advance Laboratory Earthquake Prediction and Illuminate the Mechanics of Precursors to Failure

Earthquakes represent one of our greatest natural hazards and in recent years human induced seismicity is adding to the threat. Even a modest improvement in the ability to forecast devastating large earthquakes or smaller shallow events associated with fluid injection could save thousands of lives and billions of dollars. Current efforts to forecast earthquakes are limited by knowledge of earthquake physics and hampered by a lack of reliable lab or field observations. However, recent work has provided a critical opportunity for advancement. We have found: 1) clear and consistent precursors prior to earthquake-like failure in the laboratory and 2) that lab earthquakes can be predicted using machine learning (ML). These works show that stick-slip failure events –the lab equivalent of earthquakes– are preceded by a cascade of micro-failure events that radiate elastic energy in a manner that foretells catastrophic failure. Remarkably, ML predicts the fault zone stress state, the failure time and in some cases the magnitude of lab earthquakes. In addition, the observations include clear precursors to failure in the form of changes in fault zone properties prior to lab earthquakes. Precursors have been observed in previous laboratory studies but their origin is poorly understood and their possible connection to ML based earthquake prediction is unknown. The work conducted under our project has dramatically expanded these efforts. We have developed an integrated data science approach to illuminate the physics of earthquake precursors and lab earthquake prediction. Our work has accelerated the development of ML, artificial intelligence (AI), and related data science approaches by providing massive data sets that are tightly connected to critical scientific problems and by bringing together leading subject matter experts and data scientists. Earthquake physics involves phenomena that are far from equilibrium. Our work has leveraged data science methods to illuminate these phenomena and investigate how they relate to earthquake prediction. In addition to a large database with many types of labeled events that is available to everyone, our work has advanced the fundamental understanding of seismic forecasting, earthquake physics, and fault rheology

58 GEOSCIENCES↗

DOE OSTI2016

OBSERVATIONS OF MAGNETIC FLUX-ROPE OSCILLATION DURING THE PRECURSOR PHASE OF A SOLAR ERUPTION

Based on combined observations from the Interface Region Imaging Spectrograph (IRIS) spectrometer with the coronal emission line of Fe xxi at 1354.08 Å and SDO /AIA images in multiple passbands, we report the finding of the precursor activity manifested as the transverse oscillation of a sigmoid, which is likely a pre-existing magnetic flux rope (MFR), that led to the onset of an X class flare and a fast halo coronal mass ejection (CME) on 2014 September 10. The IRIS slit is situated at a fixed position that is almost vertical to the main axis of the sigmoid structure that has a length of about 1.8 × 10{sup 5} km. This precursor oscillation lasts for about 13 minutes in the MFR and has velocities in the range of [−9, 11] km s{sup −1} and a period of ∼280 s. Our analysis, which is based on the temperature, density, length, and magnetic field strength of the observed sigmoid, indicates that the nature of the oscillation is a standing wave of fast magnetoacoustic kink mode. We further find that the precursor oscillation is excited by the energy released through an external magnetic reconnection between the unstable MFR and the ambient magnetic field. It is proposed that this precursor activity leads to the dynamic formation of a current sheet underneath the MFR that subsequently reconnects to trigger the onset of the main phase of the flare and the CME.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1998

Enantiomeric Excesses of Acid Labile Amino Acid Precursors of the Murchison Meteorite

Amino acids present in carbonaceous chondrite are extracted in water in part as free compounds and in approximately equal part as acid labile precursors. On the assumption that they would be free of contamination, the precursors of two Murchison amino acids that have terrestrial occurrence, alanine and glutamic acid, have been targeted for analysis of their enantiomeric ratios. Pyroglutamic acid, the precursor of glutamic acid, was found with an L-enantiomeric excess comparable to that of the free acid, while alanine's precursor, N-acetyl alanine, appears approximately racemic. Also alpha-imino propioacetic acid, a proposed end product of alanine synthesis in the meteorite, was analyzed and found racemic.

Pizzarello, Sandra↗

NASA NTRS2002

A Review of Single Source Precursors for the Deposition of Ternary Chalcopyrite Materials

The development of thin-film solar cells on flexible, lightweight, space-qualified durable substrates (i.e. Kapton) provides an attractive solution to fabricating solar arrays with high specific power, (W/kg). The syntheses and thermal modulation of ternary single source precursors, based on the [{LR}2Cu(SR')2In(SR')2] architecture in good yields are described. Thermogravimetric analyses (TGA) and Low temperature Differential Scanning Caloriometry, (DSC) demonstrate that controlled manipulation of the steric and electronic properties of either the group five-donor and/or chalcogenide moiety permits directed adjustment of the thermal stability and physical properties of the precursors. TGA-Evolved Gas Analysis, confirms that single precursors decompose by the initial extrusion of the sulphide moiety, followed by the loss of the neutral donor group, (L) to release the ternary chalcopyrite matrix. X-ray diffraction studies, EDS and SEM on the non-volatile pyrolized material demonstrate that these derivatives afford single-phase CuInS2/CuInSe2 materials at low temperature. Thin-film fabrication studies demonstrate that these single source precursors can be used in a spray chemical vapor deposition process, for depositing CuInS2 onto flexible polymer substrates at temperatures less than 400 C.

Banger, K. K.↗

NASA NTRS2003

Synthesis and Characterization of Chalcopyrite (CuInS2 and CuhInSe2) Colloidal Nanoparticles for Optoelectronic Applications via Low-Temperature Pyrolysis of Single-Source Precursors

Nanocrystalline (or quantum dot) materials hold potential as components of next-generation photovoltaic (PV) devices. The inclusion of quantum dots in PV devices has been proposed as a means to improve the efficiency of photon conversion (quantum dot solar cell), enable low-cost deposition of thin-films, provide sites for exciton dissociation, and pathways for electron transport. Quantum dots are also expected to be more resistant to degradation from electron, proton, and alpha particle radiation than the corresponding bulk material, a requirement for use in space solar ~sells. Chalcopyrite nanocrystals can be produced by low-temperature thermal decomposition of single-source precursors such as (PR3)2CuIn(ER')4 (R = Ph, R' = Et, E = S; R = R' = Ph, E = Se). Single-source precursors are molecules which contain all the necessary elements for synthesis of a desired material. Thermal decomposition of the precursor results in the formation of material with the correct stoichiometry as a nanocrystalline powder or a thin film, often at significantly lower temperatures than those typically employed for thin-film deposition by multi-source evaporation techniques, typically less than 500 C. We show that CuInSz and CuInSe2 nanocrystals can be synthesized from the precursors at temperatures as low as 250 C. The nanocrystals are characterized by optical spectroscopy, X-ray diffraction, and electron microscopy.

Castro, S. L.↗

NASA NTRS2015

NASAs Evolvable Mars Campaign: Mars Moons Robotic Precursor

Human exploration missions to the moons of Mars are being considered within NASA's Evolvable Mars Campaign (EMC) as an intermediate step for eventual human exploration and pioneering of the surface of Mars. A range of mission architectures is being evaluated in which human crews would explore one or both moons for as little as 14 days or for as long as 500 days with a variety of orbital and surface habitation and mobility options being considered. Relatively little is known about the orbital, surface, or subsurface characteristics of either moon. This makes them interesting but challenging destinations for human exploration missions during which crewmembers must be able to effectively conduct scientific exploration without being exposed to undue risks due to radiation, dust, micrometeoroids, or other hazards. A robotic precursor mission to one or both moons will be required to provide data necessary for the design and operation of subsequent human systems and for the identification and prioritization of scientific exploration objectives. This paper identifies and discusses considerations for the design of such a precursor mission based on current human mission architectures. Objectives of a Mars' moon precursor in support of human missions are expected to include: 1) identifying hazards on the surface and the orbital environment at up to 50-km distant retrograde orbits; 2) collecting data on physical characteristics for planning of detailed human proximity and surface operations; 3) performing remote sensing and in situ science investigations to refine and focus future human scientific activities; and 4) prospecting for in situ resource utilization. These precursor objectives can be met through a combination or remote sensing (orbital) and in-situ (surface) measurements. Analysis of spacecraft downlink signals using radio science techniques would measure the moon's mass, mass distribution, and gravity field, which will be necessary to enable trajectory planning. Laser altimetry would precisely measure the moon's shape and improve the accuracy of radio science measurements. A telescopic imaging camera would map the moon at submeter resolution and photograph selected areas of interest at subcentimeter resolution and a visible and near-infrared (0.4-3.0 mm) imaging spectrograph would produce a global map of mineral composition variations at a resolution of tens of meters and maps of selected areas of interest at meter resolution. Additional remote sensing capabilities could include a thermal infrared imager (heat flow, thermal inertia, and grain size distributions), a gamma-ray and neutron detector (atomic composition), a ground-penetrating radar (internal structure), and a magnetometer and Langmuir probe (magnetic properties and plasma field). Once on the surface of Phobos or Deimos, necessary instrumentation would include a penetrometer (regolith compressive strength), a motion-imagery camera (to observe the penetrometer tests before, during, and after contact), a dust-adhesion witness plate and camera (dust levitation), a microimager (dust particle sizes and shapes), and an alpha-proton-X-ray, X-ray fluorescence, Mossbauer, or Raman spectrometer (atomic and mineral composition of surface materials) and an optional temperature probe (regolith thermal properties). A variety of robotic mission design options to enable both orbital and surface measurements are being considered that include fully integrated and modular approaches. In-situ measurements from at least one surface location would be required, with additional measurement locations possible through use of multiple landers, through propulsive relocation of a single lander, or through electromechanical surface translation by a walking or hopping lander vehicle, which could also serve to evaluate such mobility capabilities for subsequent human missions. Preliminary orbital analysis suggests that remote sensing would likely be performed while in a distant retrograde orbit around the target moon. Mission design options to enable characterization of both Mars’ moons in a single mission are also being studied.

Gernhardt, Michael L.↗

NASA NTRS2016

Potential Precursor Compounds for Chlorohydrocarbons Detected in Gale Crater, Mars, by the SAM Instrument Suite on the Curiosity Rover

The detection of chlorinated organic compounds in near-surface sedimentary rocks by the Sample Analysis at Mars (SAM) instrument suite aboard the Mars Science Laboratory Curiosity rover represents an important step toward characterizing habitable environments on Mars. However, this discovery also raises questions about the identity and source of their precursor compounds and the processes by which they become chlorinated. Here we present the results of analog experiments, conducted under conditions similar to SAM gas chromatography-mass spectrometry analyses, in which we pyrolyzed potential precursor compounds in the presence of various Cl salts and Fe oxides that have been identified in Martian sediments. While chloromethanes could not be unambiguously identified, 1,2-dichloropropane (1,2-DCP), which is one of the chlorinated compounds identified in SAM data, is formed from the chlorination of aliphatic precursors. Additionally, propanol produced more 1,2-DCP than nonfunctionalized aliphatics such as propane or hexanes. Chlorinated benzenes ranging from chlorobenzene to hexachlorobenzene were identified in experiments with benzene carboxylic acids but not with benzene or toluene. Lastly, the distribution of chlorinated benzenes depended on both the substrate species and the nature and concentration of the Cl salt. Ca and Mg perchlorate, both of which release O2 in addition to Cl2 and HCl upon pyrolysis, formed less chlorobenzene relative to the sum of all chlorinated benzenes than in experiments with ferric chloride. FeCl3, a Lewis acid, catalyzes chlorination but does not aid combustion. Accordingly, both the precursor chemistry and sample mineralogy exert important controls on the distribution of chlorinated organics.

Miller, Kristen E.↗

NASA NTRSDate not supplied

Low-Temperature Production of Cosmic Grains Analogs From Gas-Phase Molecular Precursors with the NASA Ames' COSmIC Facility

Complex carbon molecules and ions are ubiquitous in space and form the building blocks of carbonaceous cosmic dust grains, ultimately contributing to the formation of planets. Here, we report the first experimental investigations of the low temperature chemical pathways leading to the production of cosmic grain analogs from gas phase molecular precursors in order to better understand the evolution of cosmic carbon. The experiments were performed using the COsmic SImulation Chamber (COSmIC) to generate and characterize grains formed from gas phase precursors under controlled conditions representative of astrophysical environments [1]. Using COSmIC, it is possible to investigate the evolution of cosmic carbon from the formation of neutral and ionized gas phase hydrocarbons and PAHs [2], to carbon grains [3, 4]. This is achieved by using a discharge nozzle to (1) produce an adiabatic jet expansion and cool down Ar-hydrocarbon/PAH gas mixtures to astrophysically relevant temperature (150 K) before inducing chemistry by generating a plasma discharge in the stream of the expansion. This plasma-induced chemistry results in the formation of complex molecules and solid particles, analogs of cosmic grains. Solid grains are produced in-situ in the plasma expansion, carried by the accelerated gas in the expansion, and collected on substrates placed a few centimeters downstream of the electrodes. The results of a preliminary solid phase ex-situ analysis of cosmic grain analogs produced at low temperature in COSmIC from gas mixtures including molecular precursors of cosmic carbon grains, i.e., such as CH4 and C2H2 found in circumstellar ejecta of late C stars [3] as well as PAHs ubiquitously detected in IR emission bands seen in galactic and extragalactic environments [4] will be discussed. Scanning Electron Microscopy imaging was used to provide insight on the morphology and growth structure of the grains produced in COSmIC, and to investigate how the precursors used to produce the grains affect these parameters [3]. Laser desorption mass spectrometry was used to identify the molecules making up the main structures within the condensed grains [4]. NIR to FIR optical properties are characterized to provide critical information (functional groups, optical constants) to the scientific community, for use in radiative transfer models in particular, and to help decipher and enhance the return data from space observations.

F. Salama↗

DOE OSTI2017

Sol-gel precursors and products thereof

The present invention provides a generalizable single-source sol-gel precursor capable of introducing a wide range of functionalities to metal oxides such as silica. The sol-gel precursor facilitates a one-molecule, one-step approach to the synthesis of metal-silica hybrids with combinations of biological, catalytic, magnetic, and optical functionalities. The single-source precursor also provides a flexible route for simultaneously incorporating functional species of many different types. The ligands employed for functionalizing the metal oxides are derived from a library of amino acids, hydroxy acids, or peptides and a silicon alkoxide, allowing many biological functionalities to be built into silica hybrids. The ligands can coordinate with a wide range of metals via a carboxylic acid, thereby allowing direct incorporation of inorganic functionalities from across the periodic table. Using the single-source precursor a wide range of functionalized nanostructures such as monolith structures, mesostructures, multiple metal gradient mesostructures and Stober-type nanoparticles can be synthesized. ##STR00001##

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Sequential Infiltration Synthesis of Multinary Metal Oxides: The Role of Precursor Diffusion and Reactivity

Understanding volatile metal–organic precursor transport in polymer matrices during sequential infiltration synthesis (SIS) is critical to the design of hybrid materials of tailored composition and uniform structure. Here, we investigate the diffusion and reaction behavior of diethylzinc (DEZ) in poly(methyl methacrylate) (PMMA) matrices with variable indium and zinc incorporation. Unlike conventional SIS where precursors adduct or react directly with the polymer backbone, DEZ shows minimal interaction with PMMA. However, DEZ may interact strongly with In–OH or Zn–OH moieties that are previously incorporated into a PMMA thick film. Using spectroscopic ellipsometry, X-ray photoelectron spectroscopy depth profiling, and EDX line scans, we quantify Zn incorporation as a function of exposure time, polymer thickness, and previous infiltration steps. The Zn distribution evolves from surface-localized to deep within the ∼1 μm thick film with increasing DEZ exposures up to 30 min. A reaction-diffusion model incorporating a hindering factor to capture diffusivity decay due to product accumulation reproduces the Zn depth profile and yields physically meaningful parameters to guide future growth. Furthermore, this study provides a framework for interpreting metal–organic precursor infiltration behavior and highlights the utility of model-guided SIS process design.

diethylzinc↗

DOE OSTI2024

The importance of delayed neutron precursors in gamma dose calculations for activated primary heat exchanger components in the Molten Salt Breeder Reactor

The Molten Salt Reactor (MSR) Multiphysics Applications technical area in the Nuclear Energy Advanced Modeling and Simulation program has supported the development of 3D Monte Carlo models of the Molten Salt Breeder Reactor (MSBR) over the last couple of years. This MSBR model was previously run with the Shift Monte Carlo code to perform radiation shielding calculations in the reactor cell area. The MSBR is a 2250 MWth (1000 MWe) liquid-fueled molten salt reactor design developed at Oak Ridge National Laboratory in the 1970s. Determining the source terms from activated primary heat exchanger (HX) components is important because delayed and prompt neutron fluxes incident on these components affect the dose rate in the primary HX maintenance areas. This information can be used in the development of remote handling procedures required during shutdown for maintenance. A methodology has been developed and is proposed in this paper to quantify the activated source term from the primary HX components as a result of the movement of the delayed neutron precursors in flowing primary fuel salt through the primary HXs in the MSBR. The goal of this research is to evaluate the gamma dose rates in the maintenance hatches above the primary HX using the activated HX source terms. The study showed that the gamma dose rates are approximately two orders of magnitudes higher when accounting for the neutron activation from the movement of delayed neutron precursors through the HXs than when flowing fuel is not considered. Thus, the movement of delayed neutron precursors must be taken into account for accurately predicting the neutron activation of primary loop components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Phase evolution of C-(N)-A-S-H/N-A-S-H gel blends investigated via alkali-activation of synthetic calcium aluminosilicate precursors

Stoichiometrically-controlled alkali-activated pastes containing calcium-(sodium) aluminosilicate hydrate (C-(N)-A-S-H) and sodium aluminosilicate hydrate (N-A-S-H) gels are produced by alkali-activation of high-purity synthetic calcium aluminosilicate powders. These powders are chemically comparable to the glass in granulated blast furnace slag, but without interference from minor constituents. The physiochemical characteristics of these gels depend on precursor chemical composition. Increased Ca content of the precursor promotes formation of low-Al, high-Ca C-(N)-A-S-H with lower mean chain length as determined by quantification of solid state nuclear magnetic resonance spectra, and less formation of calcium carboaluminate ‘Alumino-ferrite mono’ (AFm) phases. Increased Al content promotes Al inclusion and reduced crosslinking within C-(N)-A-S-H, increased formation of calcium carboaluminate AFm phases, and formation of an additional N-A-S-H gel. Small changes in precursor composition can induce significant changes in phase evolution, nanostructure and physical properties, providing a novel route to understand microstructural development in alkali-activated binders and address key related durability issues.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Impact of Relative Humidity during Spin-Deposition of Metal Oxide Thin Films from Aqueous Solution Precursors

Relative humidity during the spin-processing of thin film solution precursors is often not controlled or measured, and its effect on film thickness is generally unappreciated. Herein, we report that the relative humidity during spin-processing has a marked impact on the film thickness of amorphous metal oxide (aluminum oxide and lanthanum zirconium oxide) and hafnium oxide-sulfate (HafSOx) thin films deposited from aqueous precursors. In the humidity range studied [20–95% relative humidity (RH)], film thicknesses varied by a factor of nearly 3, and this effect is independent of the metal precursor identity. Our data suggest that film thickness depends linearly on evaporation rate (100 – RH) for all systems studied, suggesting this effect is predominantly due to the unique characteristics of water as a solvent. In situ X-ray reflectivity studies of HafSOx films deposited under different humidities reveal that, while the thickness varies significantly with humidity, the density of the as-deposited films is similar, suggesting that humidity primarily affects the relative amount of material deposited. Because reproducible film thickness is critical for many applications, our data highlight the importance of controlling humidity during spin-processing.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Flow Reactor Study of the Soot Precursors of Novel Cycloalkanes as Synthetic Jet Fuel Compounds: Octahydroindene, p -Menthane, and 1,4-Dimethylcyclooctane

Sustainable aviation fuels (SAFs) or Synthetic aviation turbine fuels (SATFs) derived from nonpetroleum sources are essential for energy security and a strong rural and agricultural economy. Airplanes operating on SAF can have lower particle emissions compared to those of conventional jet fuel, reducing air quality impacts near airports. Processing biobased isoprene or wood and agricultural waste can produce cycloalkane-rich fuels with properties meeting ASTM International’s SATF requirements. The unique structures of these cycloalkanes yield lower soot emissions because of their lack of aromatic rings. We measured the soot formation tendency as yield sooting index (YSI) and used laminar flow reactor experiments to evaluate soot precursors formed for isoprene-derived compounds p-menthane and 1,4-dimethylcyclooctane (DMCO), and octahydroindene (OHI)─ produced from woody biomass via catalytic fast pyrolysis. The combustion chemistry of the OHI and DMCO has not been previously studied. Experiments were conducted at 10 bar from 800 to 1200 K, equivalence ratios of 1.0 and 3.0, and residence times of 1.0 and 0.6 s, respectively. Experimentally detected species were used to elucidate the mechanisms of soot precursor formation. OHI exhibited the highest YSI (94.5) and formed a high concentration of benzene primarily by direct dehydrogenation of the six-membered ring. p-Menthane (YSI 92.0) and DMCO (YSI 85.0) oxidation products included fewer aromatic components but higher benzene precursors, including 1,3-butadiene, propyne, and allene. This suggests that the ring-opening pathway is dominant over the dehydrogenation pathway in the benzene formation for these compounds. This experimental speciation provides insight into the influence of the cycloalkane structure on the sooting tendencies of potential SAF blend components, thereby aiding in fuel design processes.

09 BIOMASS FUELS↗

DOE OSTI2020

Sulfur-Donor Solvents Strongly Coordinate Pb 2+ in Hybrid Organic–Inorganic Perovskite Precursor Solutions

Strong coordination between Lewis-basic processing additives and the Lewis-acidic lead halide in hybrid organic–inorganic perovskite (HOIP) precursor solutions is required to solubilize the lead halide, and subsequently access the appropriate crystallization kinetics and attain the desired morphology of perovskite active layers. While oxygen-donor solvents and additives, such as dimethylformamide and dimethyl sulfoxide, are widely used for perovskite processing, we demonstrate here that “soft” sulfur-donor solvents exhibit stronger coordination to the “borderline soft” Lewis acid Pb 2+ center of PbI 2 relative to “hard” O-donor solvents in the precursor solution. The stronger coordination of S-donor solvents compared to O-donor solvents to Pb 2+ implies that such compounds can be useful additives to HOIP precursor solutions. Density-functional calculations of the enthalpy change resulting from the coordination of solvents to Pb 2+ provide direct numerical comparison of the strength of O-donor and S-donor coordination with Pb 2+ and expands the library of candidate S-donor compounds. Our results provide a roadmap for processing additive selection and expand the previously limited choice of perovskite processing additives to include strongly coordinating S-donor compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Intermetallic Nanocatalysts from Heterobimetallic Group 10–14 Pyridine-2-thiolate Precursors

Intermetallic compounds are atomically ordered inorganic materials containing two or more transition metals and main-group elements in unique crystal structures. Intermetallics based on group 10 and group 14 metals have shown enhanced activity, selectivity, and durability in comparison to simple metals and alloys in many catalytic reactions. While high-temperature solid-state methods to prepare intermetallic compounds exist, softer synthetic methods can provide key advantages, such as enabling the preparation of metastable phases or of smaller particles with increased surface areas for catalysis. In this work, we study a generalized family of heterobimetallic precursors to binary intermetallics, each containing a group 10 metal and a group 14 tetrel bonded together and supported by pincer-like pyridine-2-thiolate ligands. Upon thermal decomposition, these heterobimetallic complexes form 10–14 binary intermetallic nanocrystals. Experiments and density functional theory (DFT) computations help in better understanding the reactivity of these precursors toward the synthesis of specific intermetallic binary phases. Using Pd 2 Sn as an example, we demonstrate that nanoparticles made in this way can act as uniquely selective catalysts for the reduction of nitroarenes to azoxyarenes, which highlights the utility of the intermetallics made by our method. Employing heterobimetallic pincer complexes as precursors toward binary nanocrystals and other metal-rich intermetallics provides opportunities to explore the fundamental chemistry and applications of these materials.

10-14 intermetallics↗

DOE OSTI2018

Structured Growth of Metal–Organic Framework MIL-53(Al) from Solid Aluminum Carbide Precursor

The conventional synthesis of metal–organic frameworks (MOFs) through soluble metal-salt precursors provides little control over the growth of MOF crystals. The use of alternative metal precursors would provide a more flexible and cost-effective strategy for direction- and shape-controlled MOF synthesis. Here, we demonstrate for the first time the use of insoluble metal–carbon matrices to foster directed growth of MOFs. Aluminum carbide was implemented as both the metal precursor and growth-directing agent for the generation of MIL-53(Al). A unique needle-like morphology of the MOF was grown parallel to the bulk surface in a layer-by-layer manner. Importantly, the synthesis scheme was found to be transferrable to the production of different linker analogues of the MOF and other topologies. Finally, given the variety of metal carbides available, these findings can be used as a blueprint for controlled, efficient, and economical MOF syntheses and set a new milestone toward the industrial use of MOFs at large-scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Spectroscopic determination of thermal impulse in sub-second heating events using lanthanide-doped oxide precursors and phenomenological modeling

Using a mixture of crystalline-Ho:ZrO{sub 2}, precursor-Dy:Y{sub 2}O{sub 3}, and precursor-Eu:ZrO{sub 2} nanoparticles we develop thermal impulse sensors capable of measuring equivalent isothermal temperatures and durations during a heating event, with response times of <100 ms, and a temperature range of at least 673 K to 1173 K. In order to determine the temperature and duration from the sensors after the heating event we measure the sensors' fluorescence spectrum, which is then compared with lab based calibration data. By using two precursor materials with different reaction kinetics we are able to extract both temperature and duration. Based on blind sample testing we find that the sensors and calculation method are accurate for measuring temperature and duration, but currently suffer a lack of precision due to difficulties in producing homogeneously heated samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗