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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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The objective of the crystalline disposal work packages is to advance our understanding of long-term disposal of used fuel in crystalline rocks and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media.
Upcycling plastic waste into graphite can potentially be used, in conjunction with other methods, to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing, and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create a stable carbon char that does not readily decompose during high-temperature processing. This method employs solid additives in the form of salts, which are combined with the PE melt during air processing to increase the effective surface area of the melt and improve the oxygen-driven chemistry that stabilizes the PE for high-temperature processing. After removing the solid salt additives from the PE-derived char, it is converted into a highly crystalline bulk graphite powder using a Fe-based low-temperature (<1500 °C) catalytic process. The PE-derived graphite powder showed excellent electrochemical performance as an anode material for lithium-ion batteries (LIBs) with a capacity of up to 302 mAh/g at 0.5 discharge/charge cycles per hour (0.5 C) and capacity retention of 100% after 415 cycles.
Upcycling plastic waste into graphite can potentially be used to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing, and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create a stable carbon char, then be converted into a highly crystalline bulk graphite powder using a Fe-based catalytic process. The PE-derived graphite demonstrates excellent electrochemical performance as an anode material for lithium-ion batteries.
Upcycling plastic waste into graphite can potentially be used, in conjunction with other methods, to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing, and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create a stable carbon char that does not readily decompose during high-temperature processing. This method employs solid additives in the form of salts, which are combined with the PE melt during air processing to increase the effective surface area of the melt and improve the oxygen-driven chemistry that stabilizes the PE for high-temperature processing. After removing the solid salt additives from the PE-derived char, it is converted into a highly crystalline bulk graphite powder using a Fe-based low-temperature (<1500 °C) catalytic process. The PE-derived graphite powder showed excellent electrochemical performance as an anode material for lithium-ion batteries (LIBs) with a capacity of up to 302 mAh/g at 0.5 discharge/charge cycles per hour (0.5 C) and capacity retention of 100% after 415 cycles. This method illustrates there are opportunities for upcycling large quantities of PE waste to produce graphite powders.
This presentation is an overview of crystalline silicon solar PV supply chain and cost scenarios for the U.S. Market, presented at the Crystalline Silicon Workshop in July 2025 in Breckenridge, Colorado.
We report on the spin Hall effect in epitaxial Pt films with well-defined crystalline (200), (220), and (111) orientations and smooth surfaces. The magnitude of the spin Hall effect has been determined by spin–torque ferromagnetic resonance measurements on epitaxial Pt/Py heterostructures. We observed a 54% enhancement of the charge-to-spin conversion efficiency of the epitaxial Pt when currents are applied along the in-plane <002> direction. Temperature-dependent harmonic measurements on epitaxial Pt/Co/Ni heterostructures compared to a polycrystalline Pt/Co/Ni suggest the extrinsic mechanism underlying spin Hall effect in epitaxial Pt. Our work contributes to the development of energy-efficient spintronic devices by engineering the crystalline anisotropy of non-magnetic metals.
Defects in crystalline solids play a crucial role in determining properties of materials at the nano, meso- and macroscales, such as the coalescence of vacancies at the nanoscale to form voids and prismatic dislocation loops or diffusion and segregation of solutes to nucleate precipitates, phase transitions in magnetic materials via disorder and doping. First principles Density Functional Theory (DFT) simulations can provide a detailed understanding of these phenomena. However, the number of atoms needed to correctly simulate these systems is often beyond the reach of many widely used DFT codes. The aim of this article is to discuss recent advances in first principles modeling of crystal defects using the spectral quadrature method. The spectral quadrature method is linear scaling with respect to the number of atoms, permits spatial coarse-graining, and is capable of simulating non-periodic systems embedded in a bulk environment, which allows the application of appropriate boundary conditions for simulations of crystalline defects. In this article, we discuss the state-of-the-art in ab-initio modeling of large metallic systems of the order of several thousand atoms that are suitable for utilizing exascale computing resourses.
Due to their commendable biocompatibility, regenerated silk fibroin (RSF) films have attracted considerable research interest. However, the poor mechanical properties of RSF films have limited their use in various biomedical applications. In this study, a novel, highly crystalline silk fibril was successfully extracted from silk by combining degumming with ultrasonication. Ultrasonication accelerated the development of silk nanofibrils measuring 130–200 nm on the surface of the over-degummed silk fibers, which was confirmed via scanning electron microscopy. Additionally, the crystallinity index of silk fibril was found to be significantly higher (~68%) than that of conventionally degummed silk (~54%), as confirmed by the Fourier-transform infrared (FTIR) spectroscopy results. Furthermore, the breaking strength and elongation of the RSF film were increased 1.6 fold and 3.4 fold, respectively, following the addition of 15% silk nanofibrils. Thus, the mechanical properties of the RSF film were remarkably improved by the addition of the silk nanofibrils, implying that it can be used as an excellent reinforcing material for RSF films.
A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.
Apollo 14 crystalline rocks (14053 and 14310) and crystalline rock fragments (14001,7,1; 14001,7,3; 14073; 14167,8,1 and 14321,191,X-1) on which Rb/Sr, Ar-40/Ar-39, or cosmic ray exposure ages have been determined by our colleagues were studied with the electron microprobe and the petrographic microscope. Rock samples 14053 and 14310 are mineralogically and petrologically distinct from each other. On the basis of mineralogic and petrologic characteristics all of the fragments, except 14001,7,1, are correlative with rock 14310. Sample 14073 is an orthopyroxene basalt with chemical and mineralogic affinities to ?KREEP,' the ?magic' and ?cryptic' components. Fragment 14001,7,1 is very similar to Luny Rock I.
The previously developed technique of a sandwich coating for silicon crystallinity enhancement in silicon films deposited at low temperature is applied to graphite substrates. The measured increase in silicon crystallinity is comparable to that observed earlier using a quartz substrate. The distribution of aluminum in the silicon films is determined using Auger spectroscopic depth profiling. Carbon diffusion from the substrate into the silicon film is shown to be negligible at a substrate temperature of 600 C.
The chemical composition (bulk, rare earth, and trace elements) of the Luna 16 mare regolith and luna 20 highland regolith is discussed. The rock samples considered are 14 basaltic rock fragments (Luna 16) and 13 rock fragments of the ANT suite (Luna 20). On the basis of bulk composition, two types of basaltic rocks have been differentiated and defined in the Luna 16 regolith: mare basalts (fundamental crystalline rocks of Mare Fecunditatis) and high-alumina basalts. The bulk analyses of rock fragments of the ANT suite also enabled distinction of two rock types: anorthositic norites and troctolites and/or spinal-troctolites (the most abundant crystalline rocks of the highland region, the landing site of luna 20), and anorthosites. The chemical compositions of Luna 16 and Luna 20 regolith samples are compared. Differences in the chemistry of the Luna 16 mare regolith and that of mare basalts are discussed. The chemical affinity between the Luna 20 highland regolith and (a) anorthositic norites and (b) troctolites and/or spinel-troctolites has been ascertained.
Hydrogen diffusion behavior and electronic properties of crystalline TiCuHo94, Ti2CuH1.90, and Ti2CuH2.63 and amorphous a-TiCuH1.4 were studied using proton relaxation times, proton Knight shifts, and magnetic susceptibilities. Crystal structure and hydrogen site occupancy have major roles in hydrogen mobility. The density of electron states at E sub F is reduced in amorphous a-TiCuH1.4 compared to the crystalline hydrides.
The proton Knight shifts and spin-lattice relaxation times have been measured in crystalline and amorphous Ze2PdH(x). Core polarization from the Zr d-band dominates the proton hyperfine interactions. The density of Fermi level d-electron states is reduced in the amorphous phase relative to the electron density in crystalline Zr2PdH(x).
The meteoritic bombardment of icy surfaces is discussed, focusing on the formation of amorphous ice and its thermal, mechanical, and optical properties. A numerical code has been developed for evaluating the ratio of the volume of the melted and vaporized ice target to the volume of the projectile that has impacted the surface and left a crater. However, water will only vaporize with impact speeds over 4 to 6 km/sec, and subsequent condensation into ice below 150 K will produce amorphous ice. A denser form of amorphous ice exists below 10 K, with the transition into a crystalline form occurring above 150 K. Maximum impact velocities have been defined for all major bodies in the solar system, with the finding that crystalline ice will form in the crater while amorphous ice will form on the ejecta. The amount of each is dependent on the ratio of solidified water to condensed water vapor and on the fraction of solid ejecta.
Crystallinities as low as 16 percent have been estimated by determination of the interplanar spacing on PET/carbonaceous filament composites with resin content of aobut 25 percent w/w using wide-angle X-ray scattering (WAXS) in the angular range 2 theta = 16-18 deg. The diffraction pattern of the carbonaceous reinforcements masks the major reflections of the resin, and the resin content and the crystallinity are kept low to make the simulation reasonable.
Zonation due to alpha-decay damage in a natural single crystal of zircon from Sri Lanka is discussed. The zones vary in thickness on a scale from one to hundreds of microns. The uranium and thorium concentrations vary from zone to zone such that the alpha decay dose is between 0.2 x 10 to the 16th and 0.8 x 10 to the 16th alpha-events per milligram. The transition from the crystalline to the aperiodic metamict state occurs over this dose range. At doses greater than 0.8 x 10 to the 16th alpha events/mg there is no evidence for long-range order. This type of damage will accumulate in actinide-bearing, ceramic nuclear waste forms. The systematic pattern of fractures would occur in crystalline phases that are zoned with respect to actinide radionuclides.
A new version of crystalline Langley Research Center Thermoplastic Polyimide (LaRC-TPI) imidized powder, which possesses a higher initial molecular weight (MW), has been prepared and characterized. The scheme used for cyclodehydration during the synthesis of this material is described. Evidence of a higher initial MW for the subject LaRC-TPI is supported by both measurements of the inherent viscosity and the DSC thermograms. An initial melting peak at 295 C is noted in the freshly-synthesized sample. The powder can be recrystallized at any elevated temperatures below 340 C, and a single crystalline endothemic peak is always observed after various thermal histories. The heat of fusion for the fresh sample, as represented by the area under the melting peak in the directional scanning calorimeter thermogram, is about 3.9 cal/gm. Comparisons of thermal properties for the subject material are made to those exhibited by the commercial LaRC-TPI powder.