Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “High Temperature Properties”

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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Theoretical and experimental study of temperature effect on electronic and optical properties of TiO 2 : Comparing rutile and anatase

To gain fundamental understanding of the high-temperature optical gas-sensing and light-energy conversion materials, we comparatively investigate the temperature effects on the band gap and optical properties of rutile and anatase TiO 2 experimentally and theoretically. Given that the electronic structures of rutile and anatase are fundamentally different, i.e. direct band gap in rutile and indirect gap in anatase, it is not clear whether these materials exhibit different electronic structure renormalizations with temperature. Using ab initio methods, we show that the electron-phonon interaction is the dominant factor for temperature band gap renormalization compared to the thermal expansion. As a result of different contributions from the acoustic and optical phonons, the band gap is found to widen with temperature up to 300 K, and to narrow at higher temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Supply Chain Improvement & Process Modification Printing in Tantalum

Refractory metals and alloys are distinguished by their exceptional thermophysical properties, including high melting and recrystallization temperatures, remarkable strength, and superior corrosion resistance, all of which surpass those of conventional alloys. These unique characteristics position these materials as ideal candidates for applications in extreme environments. However, their potential has historically been underexploited due to limitations in processing capabilities. Recent advancements in melt-based additive manufacturing (AM) processes present opportunities to overcome these limitations. Previous Sandia studies have successfully characterized pure tantalum produced through laser powder bed fusion (LPBF) externally at Castheon, revealing that LPBF-fabricated tantalum exhibits properties exceeding those of wrought materials. This promising outcome sparked increased interest in the internal additive manufacturing of tantalum. This project aimed to establish the new SLM 280 machine at SNL-CA to successfully produce the first tantalum prints and characterize the material. Additionally, efforts were made to enhance the machine by incorporating Inert equipment to minimize oxygen content within the print volume. The results demonstrated that internally manufactured LPBF tantalum not only met but exceeded the standards of wrought materials, even prior to the integration of the additional equipment. The inert equipment is almost successfully integrated and ready for use. Future research should focus on understanding how this equipment influences the process-structure-property relationships, as well as further optimizing the printing parameters for tantalum.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis and Characterization of a New Ferroelectric with Low Lead Content, a High Curie Temperature, and a High Piezoelectric Response

Abstract A new solid solution (1− x )Bi(Fe 2/8 Ti 3/8 Mg 3/8 )O 3 –( x )PbTiO 3 (BFTM‐PT) is synthesized and the electromechanical properties are measured. This system is defined as a low‐lead material with ferroelectric/piezoelectric behavior and a morphotropic phase boundary (MPB) that leads to enhanced properties. The MPB is located between x = 0.30 and 0.35 and coincides with a structural phase transition and a sharp increase in the piezoelectric response. The system demonstrates ferroelectric hysteresis where x = 0.325 displays the best properties with a maximum polarization of 39 µC cm −2 and a remnant polarization of 26 µC cm −2 . The range of compositions has high Curie temperature ( T c ), ranging from 625–650 °C. Materials with a T c above 400 °C typically have a low d 33 of <50 pC N −1 at room temperature. However, BFTM‐PT has a higher d 33 that most other compositions with a T c in this range, with the highest being 145 pC N −1 for x = 0.375. The d 33 drops off above 100 °C, but doping studies can be done in the future to stabilize the piezoelectric response at higher temperatures. These outstanding properties open the possibility of new transducer applications, in particular ones requiring high temperature and high power.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spectral emittance measurements of micro/nanostructures in energy conversion: a review

Micro/nanostructures play a key role in tuning the radiative properties of materials and have been applied to the high-temperature energy conversion systems for improved performance. Among the various radiative properties, spectral emittance is of integral importance for the design and analysis of materials that function as radiative absorbers or emitters. This article presents an overview of the spectral emittance measurement techniques using both the direct and indirect methods. Several micro/nanostructures are also introduced, and a special emphasis is placed on the emissometers developed for characterizing engineered micro/nanostructures in high-temperature applications (e.g., solar energy conversion and thermophotovoltaic devices). Both experimental facilities and measured results for different materials are summarized. Future prospects in developing instrumentation and micro/nanostructured surfaces for practical applications are also outlined. This study provides a comprehensive source of information for the application of micro/nanostructures in high-temperature energy conversion engineering.

14 SOLAR ENERGY↗
DOE OSTI2021

A density functional theory and neutron diffraction study of the ambient condition properties of sub-stoichiometric yttrium hydride

Several mechanical and thermophysical properties are required as a function of non-stoichiometry for the successful implementation of YH 2-x for nuclear reactor moderator applications. Density functional theory calculations, in combination with neutron diffraction experiments, were used to study the structural and mechanical properties of YH 2-x . Point defect analysis indicated H occupation primarily at the tetrahedral site within an fcc Y sub-lattice, confirming a fluorite YH 2 structure. The small positive formation energy for H vacancies under Y-rich conditions predicted that hypo-stoichiometry is accommodated by Y+YH 2 at ambient conditions and by H vacancies in the YH 2-x single phase that is relevant to high temperatures. Neutron diffraction studies were used to confirm both the occupation of H on tetrahedral sites and the near-stoichiometric composition of the hydride phase in the two-phase Y+YH 2 region of the phase diagram that dominates at room temperature. Energy minimized special-quasirandom-structures of H vacancies were used to calculate lattice parameters, elastic constants, and several other properties as a function of composition for the single phase YH 2-x . The lattice parameter of YH 2-x decreased by only 0.004 Å with increasing H/Y for the range 1.31 ≤ H / Y ≤ 2.0 indicating a negligible effect on lattice parameters due to vacancy formation. In the two-phase region, however, calculations predicted the density of z Y + ( 1 - z ) Y H 2 - x to increase with decreasing H/Y at lower temperatures due to the increased fraction of high-density Y metal. Additionally, for the high temperature single phase, decreasing H/Y reduced the density as a consequence of the lattice expansion associated with vacancy formation. All elastic constants and moduli increased with increasing hydrogen content in single-phase YH 2-x .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Design and Characterization of Hierarchically-Strengthened, Cast Al-Ce-Ni-Mn-Sc-Zr Alloys for High-Temperature Applications

We characterize the microstructure and mechanical properties of cast Al-Ce-Ni-Mn-Sc-Zr alloys designed for structural use above 300 °C. We first report on the effect of Ni on the as-cast phase formation, where all alloys consist of fine Al11Ce3 and Ni-rich eutectic phases, but the identity of the Ni-rich phase varies with Ni content. Furthermore, these alloys contain four coarsening-resistant strengthening phases as determined from SEM and APT investigations: (i) Al11Ce3 and (ii) Ni-rich micron-scale platelets formed during eutectic solidification, (iii) L12-Al3(Sc,Zr) nanoprecipitates formed during secondary aging, and (iv) Mn solute in the α-Al matrix. The Al-Ce-Ni-Mn-Sc-Zr alloy possesses higher microhardness and creep resistance than compositionally simpler alloys containing fewer of the strengthening phases, indicating that these strengthening mechanisms synergize to provide increased ambient- and elevated-temperature strength.

Ekaputra, Clement↗
DOE OSTI2023

Structural evolution during solution-based synthesis of Li 7 P 3 S 11 solid electrolyte by synchrotron X-ray total scattering

Solution-based synthesis has emerged as a promising approach for scalable and efficient synthesis of solid electrolytes (SEs). However, the ionic conductivity of solution-synthesized SEs is much lower than that of SEs synthesized by solid state approaches. The structural evolution during the synthesis of SEs is crucial to explaining the decreased ionic conductivities but has not been well understood. Here, in this work, we use synchrotron X-ray total scattering combined with pair distribution function (PDF) analysis to understand the structural evolution during annealing of the solution-processed precursor for the synthesis of Li 7 P 3 S 11 SEs. Combining Bragg diffraction and diffuse scattering, X-ray total scattering enables detection of structural information including phase transition and crystallinity. The results show that the formation of Li 7 P 3 S 11 glass-ceramic starts at 230 °C. Increasing the annealing temperature helps to improve the crystallinity, but the degree of crystallization is still lower than 70.3% even after annealing at 290 °C when thermal decomposition of Li 7 P 3 S 11 to Li 4 P 2 S 6 has occurred. PDF analysis also revealed the existence of acetonitrile used in the solution-based synthesis in the SEs after annealing at high temperatures. The results rationalize the synthesis–property relationship, explain why annealing at 290 °C provides the highest ionic conductivity at the studied temperatures due to an optimal balance for achieving a high crystallinity while suppressing severe decomposition of Li 7 P 3 S 11 , and provide novel insights to develop approaches for synthesizing superior Li 7 P 3 S 11 SEs on a large scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Robustness of magnetocrystalline anisotropy and coercivity in Fe–Co–B

As a potential candidate for critical chemical element free permanent magnet, (Fe 0.7 Co 0.3 ) 2 B, shows promising intrinsic magnetic properties, including large magnetization, high Curie temperature and moderate magnetocrystalline anisotropy (MCA). Still, the coercivity that has been achieved is relatively low. To understand and improve coercivity, here we study the robustness of MCA related to the fluctuation of chemical composition and the structural distortion and its effect on coercivity in (Fe 0.7 Co 0.3 ) 2 B from first principles DFT (density functional theory) calculation and micromagnetic simulation. A fluctuation of cobalt content of 10%, or 1% isotropic lattice strain, or 2% tetragonal distortion reduces MCA energy up to 30%. By considering randomly distributed local MCA energy reduction up to 30%, the calculated coercivity of anisotropic bulk magnets reduced from 3.6 kOe to 2.2 kOe. Rational microstructure design, such as grain size refinement and development of strong crystal texture of MCA easy-axis (i.e., degree of alignment for (Fe 0.7 Co 0.3 ) 2 B grains), can enhance coercivity and mitigate the effect of local MCA reduction. In addition to acceptable intrinsic magnetic properties, the promising hard magnetic phase needs good MCA robustness to facilitate the development of practical magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Phase Relationships in the Carbon–Titanium–Uranium System for Ultra-High Temperature Nuclear Fuels

Carbides of uranium have attracted interest as fuels for nuclear thermal propulsion (NTP) to drive deep-space exploration owing to their attractive thermal and neutronic properties. Optimization of NTP technology, however, requires ultra-high temperature reactor environments to maximize the ratio of thrust to propellant to achieve peak rocket engine efficiency. Incorporation of transition metals into uranium carbides offers a pathway to increase the melting point of carbide fuels to address the operational challenges posed by NTP. Here, a thermodynamic model has been developed to examine the phase relationships in the C–Ti–U system at NTP conditions. Calculated phase relationships at ultra-high temperatures predict a stable (U, Ti)C solid solution. Additionally, experimental work on C–Ti–U synthesis via arc melting has been carried out, providing data on phase constitution and compositions that can be used to further refine the thermodynamic model that has been developed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Effects of Strain Rate and Temperature on the Mechanical Properties of Simulated Silica Ionogels

Ionogels are hybrid materials formed by impregnating the pore space of a solid matrix with a conducting ionic liquid. By combining the properties of both component materials, ionogels can act as self-supporting electrolytes in Li batteries. In this study, molecular dynamics simulations are used to investigate the dependence of mechanical properties of silica ionogels on solid fraction, temperature, and pore width. Comparisons are made with corresponding aerogels. We find that the solid matrix fraction increases the moduli and strength of the ionogel. This varies nonlinearly with temperature and strain rate, according to the contribution of the viscous ionic liquid to resisting deformation. Additionally, owing to the temperature and strain sensitivity of the ionic liquid viscosity, the mechanical properties approach a linear mixing law at high temperature and low strain rates. The median pore width of the solid matrix plays a complex role, with its influence varying qualitatively with deformation mode. Narrower pores increase the relevant elastic modulus under shear and uniaxial compression but reduce the modulus obtained under uniaxial tension. Conversely, shear and tensile strength are increased by narrowing the pore width. All of these pore size effects become more pronounced as the silica fraction increases. Pore size effects, similar to the effects of temperature and strain rate, are linked to the ease of fluid redistribution within the pore space during deformation-induced changes in the geometry of the pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Complex plant-derived organic aerosol as ice-nucleating particles – more than the sums of their parts?

Quantifying the impact of complex organic particles on the formation of ice crystals in clouds remains challenging, mostly due to the vast number of different sources ranging from sea spray to agricultural areas. In particular, there are many open questions regarding the ice nucleation properties of organic particles released from terrestrial sources such as decaying plant material. In this work, we present results from laboratory studies investigating the immersion freezing properties of individual organic compounds commonly found in plant tissue and complex organic aerosol particles from vegetated environments, without specifically investigating the contribution from biological particles, which may contribute to the overall ice nucleation efficiency observed at high temperatures. To characterize the ice nucleation properties of plant-related aerosol samples for temperatures between 242 and 267 K, we used the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) cloud chamber and the Ice Nucleation SpEctrometer of the Karlsruhe Institute of Technology (INSEKT), which is a droplet freezing assay. Individual plant components (polysaccharides, lignin, soy and rice protein) were mostly less ice active, or similarly ice active, compared to microcrystalline cellulose, which has been suggested by recent studies to be a proxy for quantifying the primary cloud ice formation caused by particles originating from vegetation. In contrast, samples from ambient sources with a complex organic matter composition (agricultural soils and leaf litter) were either similarly ice active or up to 2 orders of magnitude more ice active than cellulose. Of all individual organic plant components, only carnauba wax (i.e., lipids) showed a similarly high ice nucleation activity as that of the samples from vegetated environments over a temperature range between 245 and 252 K. Hence, based on our experimental results, we suggest considering cellulose as being representative for the average ice nucleation activity of plant-derived particles, whereas lignin and plant proteins tend to provide a lower limit. In contrast, complex biogenic particles may exhibit ice nucleation activities which are up to 2 orders of magnitude higher than observed for cellulose, making ambient plant-derived particles a potentially important contributor to the population of ice-nucleating particles in the troposphere, even though major uncertainties regarding their transport to cloud altitude remain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Creep Deformation and Damage Mechanisms in an Advanced High-Temperature Additively Manufactured Nickel-Base Superalloy

Abstract This research investigates the processing–structure–properties–performance relationship in a novel nickel-base superalloy, ABD ® -900AM, designed for extreme environments. Specifically tailored for additive manufacturing (AM), ABD ® -900AM maintains mechanical integrity at high temperatures and is comparable to other nickel-based superalloys with a 30–40% gamma-prime volume fraction. A comprehensive study was conducted using laser-beam powder bed fusion and electron-beam powder bed fusion methods. Factors such as heat treatment, porosity, build orientation, and hot isostatic pressing were evaluated to understand their effects on microstructure and mechanical performance. Microstructural characterization revealed significant differences in grain size and orientation across build processes and heat treatments. High-temperature mechanical testing indicated that grain size, heat treatment, and orientation significantly influence creep behavior. A super-solvus heat treatment led to recrystallization and grain growth, significantly improving creep properties compared to a near-solvus heat treatment. Various creep mechanisms were identified across different conditions, and creep rupture models were developed for each build process. Post-test microstructural analysis showed grain boundary damage, with differences in creep cavitation morphology under varying stress conditions. It was shown that MC carbides grow at the expense of gamma-prime near grain boundaries, leading to precipitate-free zones in specimens tested at higher temperatures. This study fills a significant gap in fundamental research by offering a deeper insight into the high-temperature mechanical behavior of additively manufactured nickel-base superalloys. It also explores critical research questions regarding the role of carbides and the significance of heat treatment. The insights gained enhance confidence in the industry adoption of ABD ® -900AM and similar alloys for high-temperature applications, bridging the knowledge gap and supporting the development of reliable AM processes for extreme environments.

Bridges, Alex (ORCID:000000030338759X)↗
DOE OSTI2022

Semiconductor-dielectric-metal solar absorbers with high spectral selectivity

An ideal solar thermal absorber has a sharp transition between high and low absorptance at the wavelength where the blackbody emissive power begins to exceed the solar irradiance. However, most real selective absorbers have a fairly broad transition, leading to both solar absorption and thermal emission losses. Here, we model, fabricate, and characterize a highly selective semiconductor-dielectric-metal (Ga0.46In0.54As - MgF2 - Ag) solar absorber with an extremely sharp transition from high to low absorptance. The thin semiconductor serves as a selective filter, absorbing photons with wavelengths shorter than the bandgap and transmitting those with longer wavelengths. The highly reflective dielectric-metal rear mirror allows the structure to have very low emittance for longer wavelengths. These characteristics provide the absorber with a measured solar absorptance >91% below the bandgap wavelength and infrared emittance <5% at 100 degrees C above the bandgap wavelength. This transition wavelength can be tuned by modifying the semiconductor composition, and modeling indicates that the absorber's optical properties should be stable at high temperatures, making the structure a good candidate for unconcentrated to highly concentrated solar thermal energy conversion.

14 SOLAR ENERGY↗
DOE OSTI2021

Direct Deposition of Nonaqueous SnO 2 Dispersion by Blade Coating on Perovskites for the Scalable Fabrication of p–i–n Perovskite Solar Cells

Tin(IV) oxide materials have been extensively used as electron transport materials in n–i–p perovskite solar cells (PSCs) due to their superior optoelectronic properties, low-temperature processability, and high chemical stability. However, solvent incompatibility and processing temperature have limited the direct deposition of fully solution-processed SnO 2 in p–i–n devices. In this study, we overcome this limitation by the functionalization of SnO 2 nanoparticles with acetate through ligand exchange, allowing their dispersion in anhydrous ethanol. The SnO 2 dispersion was deposited on the perovskite absorber by blade coating without damaging the underlying perovskite layer, as determined by X-ray diffraction and scanning electron microscopy. Photoluminescence spectroscopy confirmed effective electron extraction. The champion device shows 14.1% initial power conversion efficiency (PCE) which is unprecedented for a p–i–n device employing solution-phase SnO 2 . Finally, PSCs stored for 40 days in a nitrogen flow box retained an average of 95.8% of the initial PCE.

14 SOLAR ENERGY↗
DOE OSTI2023

Superior zero thermal expansion dual-phase alloy via boron-migration mediated solid-state reaction

Rapid progress in modern technologies demands zero thermal expansion (ZTE) materials with multi-property profiles to withstand harsh service conditions. Thus far, the majority of documented ZTE materials have shortcomings in different aspects that limit their practical utilization. Here, we report on a superior isotropic ZTE alloy with collective properties regarding wide operating temperature windows, high strength-stiffness, and cyclic thermal stability. A boron-migration-mediated solid-state reaction (BMSR) constructs a salient “plum pudding” structure in a dual-phase Er-Fe-B alloy, where the precursor ErFe 10 phase reacts with the migrated boron and transforms into the target Er 2 Fe 14 B (pudding) and α-Fe phases (plum). The formation of such microstructure helps to eliminate apparent crystallographic texture, tailor and form isotropic ZTE, and simultaneously enhance the strength and toughness of the alloy. These findings suggest a promising design paradigm for comprehensive performance ZTE alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electronic structure of the parent compound of superconducting infinite-layer nickelates

The search continues for nickel oxide-based materials with electronic properties similar to cuprate high-temperature superconductors. The recent discovery of superconductivity in the doped infinite-layer nickelate NdNiO 2 has strengthened these efforts. In this work, we use X-ray spectroscopy and density functional theory to show that the electronic structure of LaNiO 2 and NdNiO 2 , while similar to the cuprates, includes significant distinctions. Unlike cuprates, the rare-earth spacer layer in the infinite-layer nickelate supports a weakly interacting three-dimensional 5d metallic state, which hybridizes with a quasi-two-dimensional, strongly correlated state with $3d_{x^2-y^2}$ symmetry in the NiO 2 layers. Thus, the infinite-layer nickelate can be regarded as a sibling of the rare-earth intermetallics which are well known for heavy fermion behaviour, where the NiO 2 correlated layers play an analogous role to the 4f states in rare-earth heavy fermion compounds. This Kondo- or Anderson-lattice-like ‘oxide-intermetallic’ replaces the Mott insulator as the reference state from which superconductivity emerges upon doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Electronic transport, thermal transport, thermal expansion, and magnetization in the strongly correlated metal LaNi⁢O 3

Perovskite structured LaNiO 3 is a strongly correlated metal with intriguing thermal and magnetic properties. The volume dependence of calculated and measured physical properties can add additional critical information to develop a more in-depth understanding of this strongly correlated phenomenon. Taking advantage of recent single crystal LaNiO 3 growth using the floating-zone method, we have measured the thermal expansion, the magnetostriction, and the pressure dependence of the magnetic susceptibility, which then allows derivation of the Grüneisen parameters γ e = $\frac{dlnN(E_F)}{d lnV}$, γ χ = $\frac{dlnχ}{d lnV}$, as well as of electric and thermal transport properties. We simulate the volume dependence of structural and magnetic properties using Density Functional Theory calculations at the Generalized Gradient Approximation level. A large discrepancy between experimental values and calculated ones suggests that strong correlations are likely to be dynamic in nature. This study also provides a side-by-side comparison of measurements in single crystal and polycrystalline samples of LaNiO 3 to elucidate intrinsic materials properties. A broad hump at high temperatures in the temperature dependence of magnetization found in the single crystal sample of LaNiO 3 has been rationalized by a model that includes the influence of electron correlations on the Landau diamagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗