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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

Boosting Thermoelectric Performance in Nanocrystalline Ternary Skutterudite Thin Films through Metallic CoTe 2 Integration

Metal–semiconductor nanocomposites have emerged as a viable strategy for concurrently tailoring both thermal and electronic transport properties of established thermoelectric materials, ultimately achieving synergistic performance. In this investigation, a series of nanocomposite thin films were synthesized, embedding metallic cobalt telluride (CoTe 2 ) nanophase within the nanocrystalline ternary skutterudite (Co(Ge 1.22 Sb 0.22 )Te 1.58 or CGST) matrix. Our approach harnessed composition fluctuation-induced phase separation and in situ growth during thermal annealing to seamlessly integrate the metallic phase. The distinctive band structures of both materials have developed an ohmic-type contact characteristic at the interface, which raised carrier density considerably yet negligibly affected the mobility counterpart, leading to a substantial improvement in electrical conductivity. The intricate balance in transport properties is further influenced by the metallic CoTe 2 phase’s role in diminishing lattice thermal conductivity. The presence of the metallic phase instigates enhanced phonon scattering at the interface boundaries. Consequently, a 2-fold enhancement in the thermoelectric figure of merit (zT ~ 1.30) is attained with CGST-7 wt. % CoTe 2 nanocomposite film at 655 K compared to that of pristine CGST.

36 MATERIALS SCIENCE↗

Irradiation Driven Restructuring of Nanocrystalline ThO 2 and Th 1–x U x O 2 Thin Films

Irradiation induced structural changes of actinide oxide materials is a key consideration in their development and use as nuclear fuels. This study reported on the synthesis of ThO 2 and Th 1–x U x O 2 (x = 0.15, 0.50) thin films, fabricated using electrospray-assisted solution combustion synthesis, and their responses to ion irradiation. Krypton ion irradiations, up to a fluence of 1 × 10 16 ions/cm 2 , were carried out to simulate radiation damage induced by fission products in a reactor environment. Structural and chemical changes induced by irradiation were analyzed using high-resolution scanning transmission electron microscopy (STEM), energy-dispersive X-ray spectroscopy (EDS), and electron energy-loss spectroscopy (EELS). It was determined that the extent and nature of irradiation-induced damage are strongly correlated with the uranium content. ThO 2 films were most susceptible to radiation-induced damage, with significant cavity formation and delamination from the substrate at high fluence. Of the compositions studied, Th 0.85 U 0.15 O 2 films showed the highest stability, characterized by moderate grain growth and the absence of voids or severe defect structures. In contrast, Th 0.5 U 0.5 O 2 films accumulated extensive damage, including the formation of a nanocrystalline central region. EELS analysis indicated that oxygen displacement is the primary driver of structural degradation in Th 0.5 U 0.5 O 2 films. α-particle spectroscopy confirmed minimal actinide loss across all compositions, underscoring the mechanical robustness of the films. These findings provide insight into the irradiation-induced damage mechanisms in Th O2 and Th 1–x U x O 2 systems, supporting their development as potential materials for nuclear fuels and irradiation-tolerant thin film targets in nuclear physics measurements.

Th1−xUxO2↗

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Lead-halide perovskites increasingly mesmerize researchers because they exhibit a high degree of structural defects and dynamics yet nonetheless offer an outstanding (opto)electronic performance on par with the best examples of structurally stable and defect-free semiconductors. This highly unusual feature necessitates the adoption of an experimental and theoretical mindset and the reexamination of techniques that may be uniquely suited to understand these materials. Surprisingly, the suite of methods for the structural characterization of these materials does not commonly include nuclear magnetic resonance (NMR) spectroscopy. The present study showcases both the utility and versatility of halide NMR and NQR (nuclear quadrupole resonance) for probing the structure and structural dynamics of CsPbX 3 (X = Cl, Br, I), in both bulk and nanocrystalline forms. The strong quadrupole couplings, which originate from the interaction between the large quadrupole moments of, e.g., the 35 Cl, 79 Br, and 127 I nuclei, and the local electric-field gradients, are highly sensitive to subtle structural variations, both static and dynamic. The quadrupole interaction can resolve structural changes with accuracies commensurate with synchrotron X-ray diffraction and scattering. It is shown that space-averaged site-disorder is greatly enhanced in the nanocrystals compared to the bulk, while the dynamics of nuclear spin relaxation indicates enhanced structural dynamics in the nanocrystals. The findings from NMR and NQR were corroborated by ab initio molecular dynamics, which point to the role of the surface in causing the radial strain distribution and disorder. These findings showcase a great synergy between solid-state NMR or NQR and molecular dynamics simulations in shedding light on the structure of soft lead-halide semiconductors.

36 MATERIALS SCIENCE↗

Tunable Semiconducting Behavior and Linear-Nonlinear Optical Properties of Ag–Sn Dual-Doped Nanocrystalline CdO Thin Films for Optoelectronics

Semiconductor-based thin films have a great impact on determining the anticipated optoelectronic device construction and the advancement of cutting-edge applications. Herein, Ag and Sn dual-doped nanocrystalline transparent conducting CdO thin films were prepared on glass substrates using a cost-effective spray coating method, and their structural, morphological, optical, and semiconducting behaviors were investigated. The successful incorporation of Ag and Sn resulted in the polycrystalline nature of the deposited films without the additional peaks, as verified by X-ray diffraction (XRD) analysis. The XRD report also revealed the enhanced crystallinity (65%) at the higher doping level (3 wt % Ag and Sn-doped CdO film). All the deposited CdO films exhibited homogeneous, spherical, or round-shaped grains, with agglomeration revealed by scanning electron microscopy analysis. UV–visible spectroscopy was utilized to determine the linear and nonlinear optical properties of the deposited CdO thin films, and a reduction in the band gap from 3.891 to 3.772 eV was observed. A significant enhancement in the first- and third-order nonlinear susceptibility and nonlinear refractive index of the doped CdO films was also observed with increasing doping concentration. Hall effect data were collected at room temperature to investigate the electrical properties of all of the CdO films. The charge carrier concentration of CdO thin films was increased from 142.08 × 10 18 to 169.10 × 10 18 cm –3 , and the highest conductivity was found to be 192 s/cm on doping 3 wt % Ag–Sn. All the CdO thin films exhibited n-type conductivity, while an incredible n-type to p-type charge carrier transition was noticed at a higher doping level (3 wt % Ag–Sn). The findings of the current work are expected to advance the synthesis of semiconductor thin films through cost-effective spray coating methods for optoelectronic device applications.

deposition↗

A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environments

In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission & fusion reactors, space applications, etc.), design, prediction and control of advanced materials beyond current material designs become paramount. Here, through a combined experimental and simulation methodology, we design a nanocrystalline refractory high entropy alloy (RHEA) system. Compositions assessed under extreme environments and in situ electron-microscopy reveal both high thermal stability and radiation resistance. We observe grain refinement under heavy ion irradiation and resistance to dual-beam irradiation and helium implantation in the form of low defect generation and evolution, as well as no detectable grain growth. The experimental and modeling results—showing a good agreement—can be applied to design and rapidly assess other alloys subjected to extreme environmental conditions.

36 MATERIALS SCIENCE↗

Ion irradiation induced phase transformation in gold nanocrystalline films

Gold is a noble metal typically stable as a solid in a face-centered cubic (FCC) structure under ambient conditions; however, under particular circumstances aberrant allotropes have been synthesized. In this work, we document the phase transformation of 25 nm thick nanocrystalline (NC) free-standing gold thin-film via in situ ion irradiation studied using atomic-resolution transmission electron microscopy (TEM). Utilizing precession electron diffraction (PED) techniques, crystallographic orientation and the radiation-induced relative strains were measured and furthermore used to determine that a combination of surface and radiation-induced strains lead to an FCC to hexagonal close packed (HCP) crystallographic phase transformation upon a 10 dpa radiation dose of Au 4+ ions. Contrary to previous studies, HCP phase in nanostructures of gold was stabilized and did not transform back to FCC due to a combination of size effects and defects imparted by damage cascades.

36 MATERIALS SCIENCE↗

Nanocrystalline protein domains via salting-out

Protein salting-out is a well established phenomenon that in many cases leads to amorphous structures and protein gels, which are usually not considered to be useful for protein structure determination. Here, microstructural measurements of several different salted-out protein dense phases are reported, including of lysozyme, ribonuclease A and an IgG1, showing that salted-out protein gels unexpectedly contain highly ordered protein nanostructures that assemble hierarchically to create the gel. The nanocrystalline domains are approximately 10–100 nm in size, are shown to have structures commensurate with those of bulk crystals and grow on time scales in the order of an hour to a day. Beyond revealing the rich, hierarchical nanoscale to mesoscale structure of protein gels, the nanocrystals that these phases contain are candidates for structural biology on next-generation X-ray free-electron lasers, which may enable the study of biological macromolecules that are difficult or impossible to crystallize in bulk.

Biochemistry & Molecular Biology↗

Achieving strong and stable nanocrystalline Al alloys through compositional design

Abstract Al alloys often suffer from low mechanical strength and lack high-temperature microstructural and mechanical robustness. A series of binary and ternary nanocrystalline (NC) Al transition metal alloys with supersaturated solid solution and columnar nanograins have been recently developed by using magnetron sputtering, manifesting a new realm of mechanical properties and thermal stability. Distinct solutes cause evident differences in the phase transformations and efficiencies for grain refinement and crystalline-to-amorphous transition. Certain sputtered Al-TM alloys have shown room-temperature mechanical strengths greater than 2 GPa and outstanding thermal stability up to 400 °C. In addition, the NC Al alloys show mechanical anisotropy and tension–compression asymmetry, revealed by micromechanical tests. Through the process encapsulating various compositionally distinct systems, we attempt to illuminate the solute effects on grain refinement and properties and more importantly, tentatively unravel the design criteria for high-strength and yet thermally stable NC Al alloys. Graphic Abstract

36 MATERIALS SCIENCE↗

Implications of Fatigue-Crack Healing in Nanocrystalline Metals [Slides]

Under high-cycle fatigue conditions, a fatigue crack in nanocrystalline Pt was observed to undergo healing. The healing appears to occur by cold welding, facilitated by grain boundary migration, and also by local closure stresses. The healing may help explain several observations: role of air (or vacuum) on fatigue life, impeded subsurface fatigue cracking, apparent flaw healing in sub-critical cycling of ceramics, the existence of a fatigue threshold, and the role of vacuum on the fatigue threshold.

36 MATERIALS SCIENCE↗

New Deformation Mechanisms in Nanocrystalline Nano-porous Small Scale Metals as Defined by Kinetically-driven Microstructures

This report describes recent advances in the design and fabrication of nanostructured metallic pillars with hierarchical microstructures using a novel nanoscale additive manufacturing approach. Through a hydrogel-infusion-based two-photon lithography (TPL) method, we successfully fabricated 3D nickel nanopillars exhibiting both nanocrystalline and nanoporous features. The resulting “bamboo-like” internal architecture comprises 30–50 nm grains and voids with similarly scaled pores. These geometrically tunable pillars, with diameters ranging from ~130 to 550 nm, serve as an ideal platform for probing deformation mechanisms in structurally heterogeneous metals at the nanoscale.

36 MATERIALS SCIENCE↗

Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

Palosz, B.↗

Neutron Diffraction Studies of the Atomic Vibrations of Bulk and Surface Atoms of Nanocrystalline SiC

Thermal atomic motions of nanocrystalline Sic were characterized by two temperature atomic factors B(sub core), and B(sub shell). With the use of wide angle neutron diffraction data it was shown that at the diffraction vector above 15A(exp -1) the Wilson plots gives directly the temperature factor of the grain interior (B(sub core)). At lower Q values the slope of the Wilson plot provides information on the relative amplitudes of vibrations of the core and shell atoms.

Stelmakh, S.↗

CO2 Sensors Based on Nanocrystalline SnO2 Doped with CuO

Nanocrystalline tin oxide (SnO2) doped with copper oxide (CuO) has been found to be useful as an electrical-resistance sensory material for measuring the concentration of carbon dioxide in air. SnO2 is an n-type semiconductor that has been widely used as a sensing material for detecting such reducing gases as carbon monoxide, some of the nitrogen oxides, and hydrocarbons. Without doping, SnO2 usually does not respond to carbon dioxide and other stable gases. The discovery that the electrical resistance of CuO-doped SnO2 varies significantly with the concentration of CO2 creates opportunities for the development of relatively inexpensive CO2 sensors for detecting fires and monitoring atmospheric conditions. This discovery could also lead to research that could alter fundamental knowledge of SnO2 as a sensing material, perhaps leading to the development of SnO2-based sensing materials for measuring concentrations of oxidizing gases. Prototype CO2 sensors based on CuO-doped SnO2 have been fabricated by means of semiconductor-microfabrication and sol-gel nanomaterial-synthesis batch processes that are amendable to inexpensive implementation in mass production.

Xu, Jennifer C.↗

Induced Anisotropy in FeCo-Based Nanocrystalline Ferromagnetic Alloys (HITPERM) by Very High Field Annealing

Very high magnetic field annealing is shown to affect the magnetic anisotropy in FeCo-base nanocrystalline soft ferromagnetic alloys. Alloys of composition Fe(44.5)Co(44.5)Zr(7)B(4) were prepared by melt spinning into amorphous ribbons, then wound to form toroidal bobbin cores. One set of cores was crystallized in a zero field at 600 deg. C for 1 h, then, field annealed at 17 tesla (T) at 480 deg. C for 1 h. Another set was crystallized in a 17-T field at 480 deg. C for 1 h. Field orientation was transverse to the magnetic path of the toroidal cores. An induced anisotropy is indicated by a sheared hysteresis loop. Sensitive torque magnetometry measurements with a Si cantilever sensor indicated a strong, uniaxial, longitudinal easy axis in the zero-field-crystallized sample. The source is most likely magnetoelastic anisotropy, caused by the residual stress from nanocrystallization and the nonzero magnetostriction coefficient for this material. The magnetostrictive coefficient lambda(5) is measured to be 36 ppm by a strain gage technique. Field annealing reduces the magnitude of the induced anisotropy. Core loss measurements were made in the zero-field-crystallized, zero-field-crystallized- than-field-annealed, and field-crystallized states. Core loss is reduced 30%-50% (depending on frequency) by field annealing. X-ray diffraction reveals no evidence of crystalline texture or orientation that would cause the induced anisotropy. Diffusional pair ordering is thought to be the cause of the induced anisotropy. However, reannealing the samples in the absence of a magnetic field at 480 deg. C does not completely remove the induced anisotropy.

FERROMAGNETIC ALLOYS↗

High Temperature Stable Nanocrystalline SiGe Thermoelectric Material

A method of forming a nanocomposite thermoelectric material having microstructural stability at temperatures greater than 1000 C. The method includes creating nanocrystalline powder by cryomilling. The method is particularly useful in forming SiGe alloy powder.

Yang, Sherwin↗

Optical Properties of Ar Ions Irradiated Nanocrystalline ZrC and ZrN Thin Films

Thin nanocrystalline ZrC and ZrN films (less than 400 nanometers), grown on (100) Si substrates at a substrate temperature of 500 degrees Centigrade by the pulsed laser deposition (PLD) technique, were irradiated by 800 kiloelectronvolts Ar ion irradiation with fluences from 1 times 10(sup 14) atoms per square centimeter up to 2 times 10(sup 15) atoms per square centimeter. Optical reflectance data, acquired from as-deposited and irradiated films, in the range of 500-50000 per centimeter (0.06–6 electronvolts), was used to assess the effect of irradiation on the optical and electronic properties. Both in ZrC and ZrN films we observed that irradiation affects the optical properties of the films mostly at low frequencies, which is dominated by the free carriers response. In both materials, we found a significant reduction in the free carriers scattering rate, i.e. possible increase in mobility, at higher irradiation flux. This is consistent with our previous findings that irradiation affects the crystallite size and the micro-strain, but it does not induce major structural changes.

ZrN↗