Search NASA⌕ Search

SEARCH · Search NASA

Results for “nanocrystalline materials”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Solid-state dewetting instability in thermally-stable nanocrystalline binary alloys

Practical applications of nanocrystalline metallic thin films are often limited by instabilities. Furthermore, in addition to grain growth, the thin film itself can become unstable and collapse into islands through solid-state dewetting. Additionally, selective alloying can improve nanocrystalline stability, but the impact of this approach on dewetting is not clear. In this study, two alloys that exhibit nanocrystalline thermal stability as ball milled powders are evaluated as thin films. While both alloys demonstrated dewetting behavior following annealing, the severity decreased in more dilute compositions. Ultimately, a balance may be struck between nanocrystalline stability and thin film structural stability by tuning dopant concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ohmic contacts to nitrogen-incorporated n-type ultrananocrystalline diamond film grown on intrinsic single crystal diamond substrate

Nitrogen-incorporated ultrananocrystalline diamond (n-UNCD) films offer tremendous potential for diverse electronic applications. However, the absence of a reliable Ohmic contact at room temperature limits their practical integration and broader applicability. Here, in this study, we investigate the room temperature specific contact resistivity (ρ c ) of Ti/Pt/Au metal stack deposited on n-UNCD films grown on an intrinsic single crystal diamond substrate using a microwave plasma chemical vapor deposition system. We employ a circular transfer length model (c-TLM) and find the room temperature ρ c to be ∼4.67 × 10 −5 Ω cm 2 , which is among the lowest reported value for n-UNCD films. High temperature vacuum annealing conducted at 700 and 800 °C results in an initial improvement, followed by a minor degradation in ρ c values, respectively. The electrical contacts remain highly Ohmic for all measurements. Furthermore, cross-sectional transmission electron microscopy analysis suggests formation of conductive titanium carbide layer with no significant inter metallic diffusion. Overall, the electrical contacts demonstrate robust thermal stability, both of which are critical for attaining high-performance nanocrystalline diamond-based electronic devices.

Low resistance contacts↗
DOE OSTI2021

Amorphous complexions alter the tensile failure of nanocrystalline Cu-Zr alloys

Grain boundary-based mechanisms are known to control the plastic deformation and failure of nanocrystalline metals, with manipulation of the boundary structure a promising path for tuning this response. In this study, the role of interfacial structural disorder on plasticity and failure of nanocrystalline Cu-Zr alloys is investigated with in situ scanning electron microscopy tensile deformation experiments. Two model materials are created, one with only the typical ordered grain boundaries and another with amorphous intergranular films interspersed into the boundary network, while the microstructures are otherwise identical. Hence, the importance of complexion type on plasticity and failure is isolated by only varying complexion structure. Here, the tensile experiments show that failure of the samples containing amorphous films is significantly retarded, as evidenced by an increase in the cross-sectional area reduction, a decrease in the occurrence of shear-dominated failure, a decrease in strain localization, and fracture surfaces with more elongated dimple features. As a whole, this study provides direct evidence that structural disorder at the grain boundaries can be beneficial for improving the ductility of nanocrystalline metals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Grain boundary facilitated dissolution of nanocrystalline NpO 2 (s) from legacy waste processing

Dissolution of actinide dioxides, including neptunium dioxide (NpO 2 (s)), is paramount for the prediction of the environmental fate of nuclear materials. Quantifying dissolution rates, as well as understanding qualitative dissolution mechanisms, informs performance assessment for geologic disposal of spent nuclear fuel and management of legacy radioactive waste. The aim of this research was to measure the dissolution rate of nanocrystalline NpO 2 (s), produced through legacy nuclear waste processing, under oxidizing conditions, as well as to characterize surface alteration to the material. The solid phase was characterized using electron microscopy techniques (SEM/STEM) and X-ray photoelectron spectroscopy (XPS), indicating preferential dissolution of Np-hydroxide contained in the grain boundaries of NpO 2 (s) and fragmentation of grains from the matrix. The oxidative dissolution was monitored over 40 weeks, yielding a two-step kinetic dissolution model involving hydration of NpO 2 (s) and subsequent oxidation and dissolution of the hydroxide phase. Here, the proposed dissolution models for nanocrystalline NpO 2 (s) suggest that microstructural features such as grain boundaries are key factors affecting dissolution, including release of colloidal particles, and ultimately, environmental fate and transport of nuclear materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

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↗
DOE OSTI2022

Structural, Optical and Mechanical Properties of Nanocrystalline Molybdenum Thin Films Deposited under Variable Substrate Temperature

Molybdenum (Mo), which is one among the refractory metals, is a promising material with a wide variety of technological applications in microelectronics, optoelectronics, and energy conversion and storage. However, understanding the structure–property correlation and optimization at the nanoscale dimension is quite important to meet the requirements of the emerging nanoelectronics and nanophotonics. In this context, we focused our efforts to derive a comprehensive understanding of the nanoscale structure, phase, and electronic properties of nanocrystalline Mo films with variable microstructure and grain size. Molybdenum films were deposited under varying temperature (25–500 °C), which resulted in Mo films with variable grain size of 9–22 nm. The grazing incidence X-ray diffraction analyses indicate the (110) preferred growth behavior the Mo films, though there is a marked decrease in hardness and elastic modulus values. In particular, there is a sizable difference in maximum and minimum elastic modulus values; the elastic modulus decreased from ~460 to 260–280 GPa with increasing substrate temperature from 25–500 °C. The plasticity index and wear resistance index values show a dramatic change with substrate temperature and grain size. Additionally, the optical properties of the nanocrystalline Mo films evaluated by spectroscopic ellipsometry indicate a marked dependence on the growth temperature and grain size. This dependence on grain size variation was particularly notable for the refractive index where Mo films with lower grain size fell in a range between ~2.75–3.75 across the measured wavelength as opposed to the range of 1.5–2.5 for samples deposited at temperatures of 400–500 °C, where the grain size is relatively higher. The conductive atomic force microscopy (AFM) studies indicate a direct correlation with grain size variation and grain versus grain boundary conduction; the trend noted was improved electrical conductivity of the Mo films in correlation with increasing grain size. The combined ellipsometry and conductive AFM studies allowed us to optimize the structure–property correlation in nanocrystalline Mo films for application in electronics and optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Exploiting ultra-large linear elasticity over a wide temperature range in nanocrystalline NiTi alloy

Many shape memory alloys can support large recoverable strains of a few percent by reversible stress-induced martensite transformation, yet they behave non-linear within a narrow operating temperature range. Developing the bulk metallic materials with ultra-large linear elasticity over a wide temperature range has proven to be difficult. In this work, a material design concept was proposed, that is true elastic deformation and reversible twinning-detwinning deformation run in parallel to overcome this challenge. By engineering the residual internal stress to realize the concurrency of true elastic deformation and twinning-detwinning deformation, a bulk nanocrystalline NiTi that possesses an ultra-large linear elastic strain up to 5.1 % and a high yield stress of 2.16 GPa over a wide temperature range of 270 °C was developed. This study offers a new avenue for developing the metallic materials with ultra-large linear elasticity over a wide temperature range of 270 °C (from 70 °C to -197 °C).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Metal forming and working of stabilized nanocrystalline Cu-Ta for electrical contacts

The commercialization of nanocrystalline metals and alloys is currently entering a renaissance period. Many of the processing and consolidation challenges that have haunted them are now more fully understood, opening the doors for stabilized nanocrystalline metals to be produced on a bulk scale. While challenges remain, the increased volume at which these materials are being supplied is for the first time allowing for investigations into more traditional methods of metal working, such as extruding, rolling, forming, and forging. Recently, the manufacturing science has been developed to allow nanocrystalline Cu-Ta alloys to progress to this point. This article therefore builds upon the last decade of evolutionary progression within the family of stabilized nanocrystalline Cu-Ta alloys by presenting some of the first findings related to scaled powder synthesis, production of billets, thin sheets, and foils. Here, the mechanical performance and physical properties relevant to forming electrical contacts and pins including, tensile, J-integral fracture toughness, Charpy Impact, bi-axial tension, and conductivity are reported. This introductory investigation into forming such a novel material, provides evidence to these alloys potential at bridging the gap between being a scientific curiosity to that of a real engineering material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Local damage in grain boundary stabilized nanocrystalline aluminum

The excess free volume in grain boundaries of pure nanocrystalline aluminum leads to the grain coarsening, which degrades their desirable mechanical properties. The preferential segregation of dopants to the grain boundaries has been proposed to enhance the stability of the nanostructure. Here, to shed light on the stabilization mechanisms, we present results from virtual mechanical tests on nanocrystalline aluminum samples with similar grain sizes but different magnesium dopant contents. The segregation of magnesium decreases the excess free volume within the grain boundaries and prohibits the nucleation and growth of intergranular cracks.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Superhard Nanocrystalline Homometallic Stainless Steel on Steel for Seamless Coatings

The objective of this work is to deposit nanocrystalline stainless steel onto steel substrates (homometallic) for enhanced wear and corrosion resistance. Homometallic coatings provide superior adhesion, and it has been shown that ultrafine-grained materials exhibit the increased hardness and decreased permeability desired for protective coatings. Nanocrystals will be produced by controlling nucleation and growth and use of an ion beam during deposition by e-beam evaporation or sputtering. Phase I is depositing 31 6L nanocrystalline stainless steel onto 31 6L stainless steel substrates. These coatings exhibit hardnesses comparable to those normally obtained for ceramic coatings such ZrO2, and possess the superior adhesion of seamless, homometallic coatings. Hardening the surface with a similar material also enhances adhesion, by avoiding problems associated with thermal and lattice mismatch. So far we have deposited nanocrystalline homometallic 316L stainless steel coatings by varying the ions and the current density of the ion beams. For all deposition conditions we have produced smooth, uniform, superhard coatings. All coatings exhibit hardness of at least 200% harder than that of bulk materials. Our measurements indicate that there is a direct relationship between nanohardness and the current density of the ion beam. Stress measurements indicate that stress in the films is increasingly proportional to current density of the ion beam. TEM, XPS, and XRD results indicate that the coated layers consist of FCC structure nanocrystallites with a dimension of about 10 to 20 nm. The Ni and Mo concentration of these coating are lower than those of bulk 316L but the concentration of Cr is higher.

Tobin, Eric J.↗
NASA NTRS1991

Reflectance spectroscopy of palagonite and iron-rich montmorillonite clay mixtures: Implications for the surface composition of Mars

Because of the power of remote sensing reflectance spectroscopy in determining mineralogy, it was used as the major method of identifying possible mineral analogs of the Martian surface. A summary of proposed Martian surface compositions from reflectance spectroscopy before 1979 was presented. Since that time, iron-rich montmorillonite clay, nanocrystalline or nanophase hematite, and palagonite were suggested as Mars soil analog materials.

Orenberg, J. B.↗
DOE OSTI2026

Mechanical Behavior of Neutron Irradiated Refractory Multi-Principal Element Alloys Processed via Spark Plasma Sintering

The search for advanced materials capable of withstanding the extreme conditions of Generation IV reactors is a critical area in materials science research. These reactors operate under severe environments, including high temperatures, corrosion, stress, and irradiation damage. Consequently, there is a need for innovative alloy systems to ensure the reliability and longevity of proposed Generation IV reactor components. Refractory multi-principal-element alloys (RMPEA) have emerged as a promising candidate due to their exceptional properties. These alloys, characterized by their composition of multiple principal elements in near-equiatomic ratios, exhibit superior resistance to irradiation damage, reduced void swelling, enhanced microstructural stability, and minimal irradiation-induced hardening. While initial studies on RMPEAs have shown promising results, most research has been limited to thin films, nanocrystalline microstructures, and ion irradiation, which do not accurately represent the behavior of bulk materials. To address this gap, our research focused on the neutron irradiation of bulk RMPEAs. We aim to conduct comprehensive post-irradiation examinations (PIE) of RMPEAs irradiated at the Advanced Test Reactor at Idaho National Laboratory. The RMPEAs were synthesized using spark plasma sintering (SPS) with mechanically alloyed metallurgical powder. The RMPEA specimens are a MoNbTi alloy system with additions of -Zr, and -ZrV. Furthermore, PIE consisted of mechanical testing and advanced materials characterization. The mechanical testing consisted of sub-sized tensile testing, micro- and nano- indentation. Microstructural characterization included scanning electron microscopy and transmission electron microscopy. Mechanical testing coupled with advanced microscopy techniques provides insight into phase morphology and its effects on the mechanical properties of the RMPEA specimens. The results indicate that both pristine and irradiated RMPEA specimens exhibited brittle behavior during tensile testing, which can be attributed to their heterogeneous microstructure. The SPS manufacturing process did not include any post treatment, which resulted in a heterogeneous microstructure. Energy-dispersive X-ray spectroscopy revealed the presence of intermetallic such as laves phases within the microstructure. Specifically, Ti-rich precipitates were observed in the MoNbTi specimen, while Mo-rich precipitates were found in the MoNbTiZrV specimen. Nano-hardness testing of pristine samples showed that the laves phases exhibited higher hardness values compared to the matrix phase, suggesting that precipitate hardening is likely the dominant hardening mechanism in these specimens. The results from this work will be used to build a finite element model to predict mechanical behavior of future MPEA compositions. Thus, enabling for a streamlined approach to developing novel MPEAs for the nuclear industry.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

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↗
NASA NTRS2002

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.↗
DOE OSTI2020

Atomic structures determined from digitally defined nanocrystalline regions

Nanocrystallography has transformed our ability to interrogate the atomic structures of proteins, peptides, organic molecules and materials. By probing atomic level details in ordered sub-10 nm regions of nanocrystals, scanning nanobeam electron diffraction extends the reach of nanocrystallography and in principle obviates the need for diffraction from large portions of one or more crystals. Scanning nanobeam electron diffraction is now applied to determine atomic structures from digitally defined regions of beam-sensitive peptide nanocrystals. Using a direct electron detector, thousands of sparse diffraction patterns over multiple orientations of a given crystal are recorded. Each pattern is assigned to a specific location on a single nanocrystal with axial, lateral and angular coordinates. This approach yields a collection of patterns that represent a tilt series across an angular wedge of reciprocal space: a scanning nanobeam diffraction tomogram. Using this diffraction tomogram, intensities can be digitally extracted from any desired region of a scan in real or diffraction space, exclusive of all other scanned points. Intensities from multiple regions of a crystal or from multiple crystals can be merged to increase data completeness and mitigate missing wedges. It is demonstrated that merged intensities from digitally defined regions of two crystals of a segment from the OsPYL/RCAR5 protein produce fragment-based ab initio solutions that can be refined to atomic resolution, analogous to structures determined by selected-area electron diffraction. In allowing atomic structures to now be determined from digitally outlined regions of a nanocrystal, scanning nanobeam diffraction tomography breaks new ground in nanocrystallography.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantifying the reaction mechanisms of a high-capacity CuP 2 /C composite anode for potassium ion batteries

Introducing metals into phosphorus to form metal phosphide materials as anodes for potassium ion batteries (PIBs) is an effective strategy to improve the electronic conductivity and alleviate the volume change during cycling, although with a compromise of capacity. Here in this paper, we explore a CuP 2 /C composite as a novel anode for PIBs, which delivers a high reversible capacity of >450 mA h g -1 . Unexpectedly, our results reveal that the POx components existing in the prepared composite are reversible, through a quantitative analysis via high-resolution solid-state 31 P NMR and synchrotron X-ray diffraction tests. Their potassiation products K 3 PO 4 and K 4 P 2 O 7 can react with K–P alloys and turn back to PO x during depotassiation, which probably accounts for the high capacity of the prepared material. The results also illustrate a crystallization–amorphization evolution process during cycling involving nanocrystalline α-K 4 P 6 , K 4 P 3 and KP, and amorphous K 4 P 6 , KP and K 3 P phases, among which, the amorphous phases are identified for the first time.

25 ENERGY STORAGE↗
NASA NTRS1992

Reflectance spectroscopy and GEX simulation of palagonite and iron-rich montmorillonite clay mixtures: Implications for the surface composition of Mars

Because of the power of remote sensing reflectance spectroscopy in determining mineralogy, it has been used as the major method of identifying a possible mineral analogue of the martian surface. A summary of proposed martian surface compositions from reflectance spectroscopy before 1979 was presented by Singer et al. Since that time, iron-rich montmorillonite clay, nanocrystalline or nanophase hematite, and palagonite have been suggested as Mars soil analogue materials. Palagonite in petrological terms is best described as an amorphous, hydrated, ferric iron, silica gel. Montmorillonite is a member of the smectite clay group, and its structure is characterized by an octahedral sheet in coordination with two tetrahedral sheets in which oxygen atoms are shared. The crystal unity of montmorillonite is well defined in contrast to palagonite where it is considered amorphous or poorly crystalline at best. Because of the absence of the diagnostic strong 2.2-micron reflectance band characteristic of clays in the near-infrared (NIR) spectrum of Mars and palagonite and based upon a consideration of wide wavelength coverage (0.3-50 microns), Roush et al. concluded that palagonite is a more likely Mars surface analogue. In spite of the spectral agreement of palagonite and the Mars reflectance spectrum in the 2.2-micron region, palagonite shows poor correspondence with the results of the Viking LR experiment. In contrast, iron-rich montmorillonite clays show relatively good agreement with the results of the Viking LR experiment. This spectral study was undertaken to evaluate the spectral properties of mixtures of palagonite and Mars analogue iron-rich montmorillonite clay (16-18 wt. percent Fe as Fe2O3) as a Mars surface mineralogical model. Mixtures of minerals as Mars surface analogue materials have been studied before, but the mixtures were restricted to crystalline clays and iron oxides.

Orenberg, J. B.↗
DOE OSTI2022

Comparison of cracking behavior of nanocrystalline Cu film on substrates of different plastic deformation mechanisms

Nanocrystalline (NC) metallic thin films on metal substrates usually undergo substantial cracking at applied strains of a few percent due to strain concentration at the film/substrate interfaces. In this work, we show that the cracking of a nanocrystalline Cu film can be significantly inhibited by a NiTi substrate. NC Cu films are deposited on 304 stainless steel, Kapton and NiTi substrates, in which plastic deformation occurs via dislocation slip, molecule chain disentanglement and collective lattice shear, respectively. NC Cu film on NiTi substrate starts to show observable cracks at an applied strain of 24%, in contrast to 6% for that on steel and 15% for that on Kapton. Further, the crack density in the film on NiTi substrate is two to three orders lower than the counterparts. The discrepancy is suggested to attribute to the reduced local strain concentration enabled by the uniform lattice shear and high strain hardening of the NiTi substrate.

36 MATERIALS SCIENCE↗