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Results for “negative thermal expansion”

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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Space structures concepts and materials

An extension is preseted of the evaluation of graphite/aluminum metal matrix composites (MMC) for space structures application. A tubular DWG graphite/aluminum truss assembly was fabricated having the structural integrity and thermal stability needed for space application. DWG is a proprietary thin ply continuous graphite reinforced aluminum composite. The truss end fittings were constructed using the discontinuous ceramic particulate reinforced MMC DWAl 20 (trademark). Thermal stability was incorporated in the truss by utilizing high stiffness, negative coefficient of thermal expansion (CTE) P100 graphite fibers in a 6061 aluminum matrix, crossplied to provide minimized CTE in the assembled truss. Tube CTE was designed to be slightly negative to offset the effects of the end fitting and sleeve, CTE values of which are approx. 1/2 that of aluminum. In the design of the truss configuration, the CTE contribution of each component was evaluated to establish the component dimension and layup configuration required to provide a net zero CTE in the subassemblies which would then translate to a zero CTE for the entire truss bay produced.

Nowitzky, A. M.↗
DOE OSTI2023

An ab initio molecular dynamics study of varied compositions of the $\text{LiF-NaF-KF}$ molten salt

With increasing interest in molten salt reactors, there becomes a demand for investigations into thermophysical properties of salt systems. The LiF-NaF-KF (FLiNaK) salt system is a primary candidate for use in these reactors. However, the thermophysical properties of compositions outside the eutectic composition are still largely unknown. In this article, properties of ten unique compositions, including four ternary compositions, are investigated using ab initio molecular dynamics simulations across five temperatures between 900 K and 1300 K. The properties of interest are the density, thermal expansion, bulk modulus, compressibility, heat capacity, and enthalpy of mixing. In general, the results were found to be in good agreement with other literature and experimental results. The density and heat capacity had a tendency to be slightly underpredicted. No conclusions could be drawn about the bulk modulus and compressibility in terms of compositional dependence. The thermal expansion had a negative trend with respect to the LiF concentration and no trends were observed for the NaF or KF concentration. The enthalpy of mixing shows minima for the ternary compositions, with the near-equiatomic composition exhibiting the lowest values. Here this work shows the potential for compositional tailoring in the FLiNaK system to optimize thermophysical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Lattice vibrations and energy landscape of the isoelectronic semiconductor series CuBr, ZnSe, GaAs, and Ge: The special case of CuBr and its $\mathcal{d}$-level chemistry

Here we have examined the lattice vibrations and the energy landscape of the isoelectronic diamond and zincblende semiconductor series CuBr, ZnSe, GaAs, and Ge. Vibrations are found to be an increasing function of ionicity, with the cation sublattice always vibrating more strongly than the anion sublattice. These findings are consistent with density functional theory (DFT) calculations of the energy landscape and temperature-dependent molecular dynamics simulations of the atomic-position fluctuations. For CuBr, inclusion of the Cu 3d Hubbard U term is found necessary to stabilize the zincblende structure and to bring its vibrational amplitudes into agreement with experiment. In addition, vibrations are found to strongly affect the CuBr near-edge x-ray absorption fine structure that we have successfully modeled by including displacements in our theoretical Bethe-Salpeter equation calculations. Reverse Monte Carlo structural refinements using large atomic configurations to simultaneously fit x-ray absorption and x-ray total-scattering data support these conclusions, and they reveal strong Cu-Br first-neighbor correlations and asymmetric distributions of interatomic distances in the temperature ranges of both negative and positive thermal expansion. Delineation of the CuBr valence band photoelectron spectrum into its Cu 3d and Br 4p states uniquely reveals their covalent mixing and further supports the DFT results.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Carbon fiber composites for cryogenic filament-wound vessels

Advanced unidirectional and bidirectional carbon fiber/epoxy resin composites were evaluated for physical and mechanical properties over a cryogenic to room temperature range for potential application to cryogenic vessels. The results showed that Courtaulds HTS carbon fiber was the superior fiber in terms of cryogenic strength properties in epoxy composites. Of the resin systems tested in ring composites, CTBN/ERLB 4617 exhibited the highest composite strengths at cryogenic temperatures, but very low interlaminar shear strengths at room temperature. Tests of unidirectional and bidirectional composite bars showed that the Epon 828/Empol 1040 resin was better at all test temperatures. Neither fatigue cycling nor thermal shock had a significant effect on composite strengths or moduli. Thermal expansion measurements gave negative values in the fiber direction and positive values in the transverse direction of the composites.

Larsen, J. V.↗
NASA NTRS1990

Use of graphite epoxy composites in the Solar-A Soft X-Ray Telescope

This paper describes the use of composite materials in the Soft X-Ray Telescope (SXT). One of the primary structural members of the telescope is a graphite epoxy metering tube. The metering tube maintains the structural stability of the telescope during launch as well as the focal length through various environmental conditions. The graphite epoxy metering tube is designed to have a negative coefficient of thermal expansion to compensate for the positive expansion of titanium structural supports. The focus is maintained to + or - 0.001 inch by matching the CTE of the composite tube to the remaining structural elements.

Jurcevich, B. K.↗
NASA NTRS1991

Disordering and H-embrittlement of Pb(110) surface using embedded atom method and molecular dynamics

The dynamics and structure of the crystal melt interface are of great importance in crystal growth, melting, and other properties of the solid-liquid interface. The Embedded Atom Method (EAM), a semiempirical method developed by Daw and Baskes for determining the energetics of atoms in a bulk environment, is a useful method in the computer simulation. The EAM functions of PB in conjunction with the MD code are employed to study melting and disordering of the Pb(100) surface. The EAM functions are fitted to the bulk experimental data at zero temperature, and it is not clear if it will behave correctly at higher temperatures. In fact, it is shown that use of a similar type of potential at higher temperatures might result in a negative coefficient of thermal expansion. The primary purpose here is to perform MD simulation combined with the EAM functions of PB to study melting of the Pb(100) surface. This provides an accurate test of the EAM functions at higher temperatures. In particular, we calculate the two dimensional structure factor, the two dimensional distribution function, and density profile as a function of temperature up to the melting point of lead.

Karimi, Majid↗
NASA NTRS1994

Bimaterial Thermal Strip With Increased Flexing

In proposed bimaterial thermal strip, one layer has negative coefficient of thermal expansion, thereby increasing difference between coefficients of thermal expansion of two outer layers and consequently increasing flexing caused by change in temperature. Proposed bimaterial strips used in thermostats.

Morrison, Andrew D.↗
NASA NTRS2009

Precise Stabilization of the Optical Frequency of WGMRs

Crystalline whispering gallery mode resonators (CWGMRs) made of crystals with axial symmetry have ordinary and extraordinary families of optical modes. These modes have substantially different thermo-refractive constants. This results in a very sharp dependence of differential detuning of optical frequency on effective temperature. This frequency difference compared with clock gives an error signal for precise compensation of the random fluctuations of optical frequency. Certain crystals, like MgF2, have turnover points where the thermo-refractive effect is completely nullified. An advantage for applications using WGMRs for frequency stabilization is in the possibility of manufacturing resonators out of practically any optically transparent crystal. It is known that there are crystals with negative and zero thermal expansion at some specific temperatures. Doping changes properties of the crystals and it is possible to create an optically transparent crystal with zero thermal expansion at room temperature. With this innovation s stabilization technique, the resultant WGMR will have absolute frequency stability The expansion of the resonator s body can be completely compensated for by nonlinear elements. This results in compensation of linear thermal expansion (see figure). In three-mode, the MgF2 resonator, if tuned at the turnover thermal point, can compensate for all types of random thermal-related frequency drift. Simplified dual-mode method is also available. This creates miniature optical resonators with good short- and long-term stability for passive secondary frequency ethalon and an active resonator for active secondary frequency standard (a narrowband laser with long-term stability).

Savchenkov, Anatoliy↗
DOE OSTI2020

Electronically driven collapse of the bulk modulus in δ -plutonium

Plutonium metal exhibits an anomalously large softening of its bulk modulus at elevated temperatures that is made all the more extraordinary by the finding that it occurs irrespective of whether the thermal expansion coefficient is positive, negative, or zero—representing an extreme departure from conventional Grüneisen scaling. We show here that the cause of this softening is the compressibility of plutonium’s thermally excited electronic configurations, which has thus far not been considered in thermodynamic models. We show that when compressible electronic configurations are thermally activated, they invariably give rise to a softening of the bulk modulus regardless of the sign of their contribution to the thermal expansion. The electronically driven softening of the bulk modulus is shown to be in good agreement with elastic moduli measurements performed on the gallium-stabilized δ phase of plutonium over a range of temperatures and compositions and is shown to grow rapidly at small concentrations of gallium and at high temperatures, where it becomes extremely sensitive to hydrostatic pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transformational challenge reactor design characteristics

The Transformational Challenge Reactor (TCR) program was conceived with the goal to reduce costs and time frames associated with advanced reactor deployment by leveraging developments in advanced manufacturing, advanced materials, data science, and rapid prototyping and testing. The final deliverable of the TCR program was to be an operational test of a novel reactor design. The TCR core design incorporates a dense tri-structural-isotropic/SiC fuel form and volumetrically efficient yttrium hydride moderator, both of which were manufactured and characterized under the TCR program. The TCR is a 3 MW{sub th} He-cooled experimental nuclear reactor designed to reach a total integrated burnup of less than 24 effective full-power hours to keep the radioactive source term to a very low level. TCR design process revealed a positive moderator coefficient; however, the negative doppler coefficients for the fuel and thermal expansion of fuel, moderator, and core support plate yield an overall negative reactivity coefficient. Calculated fuel element temperatures and stresses are well within safety margins. The maximum hypothetical accident (i.e., de-pressurized loss of forced cooling) yields only a modest increase in reactor temperatures that are all within safety margins. This paper summarizes the high-level TCR design characteristics, which were derived from neutronics, thermohydraulics, thermomechanics, and safety analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Thermodynamic origin of the pressure-induced Invar effect: General criterion and experimental study of Fe 68 ⁢Pd 32

Synchrotron X-ray diffraction measurements were performed on 57 Fe 68 Pd 32 at multiple pressures and two temperatures in a diamond-anvil cell. Between 4 and 11GPa, the thermal expansion was zero or slightly negative. This pressure-induced Invar effect was studied further with 57 Fe nuclear forward scattering and nuclear resonant inelastic X-ray scattering to obtain information on the pressure-induced changes in both the magnetization and the phonon density of states. Magnetic entropy and phonon entropy were obtained from these results, the latter with additional measurements from inelastic neutron scattering to account for the contributions from Pd atoms. The dependencies of these entropies on pressure gave the magnetic and phonon contributions to thermal expansion. These canceled in the region of pressure-induced Invar behavior, even though they individually increased by more than a factor of 2 below the Curie pressure. The behavior of phonons gives evidence for spin-phonon interactions in Fe 68 Pd 32 . A general explanation of the pressure-induced Invar effect is presented, showing that Invar behavior is typically expected at a pressure P* below a magnetic transition at pressure PC. The difference in pressure P C − P* scales with the fractional reduction in magnetic exchange interaction divided by the average Gr¨uneisen parameter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Atomistic Simulations of Thermal and Chemical Expansions of PrNi x Co 1‐x O 3‐δ Accelerated by Machine Learning Potentials

The electrodes and solid-state electrolytes in protonic ceramic electrochemical cells (PCECs) experience significant lattice expansions when exposed to high steam concentrations at elevated temperatures. In this paper, phonon calculations based on a new machine learning potential (MLP) are employed to elucidate the volume expansions of the proton-conducting PrNi x Co 1-x O 3-δ (PNC) lattices, manifested under a combined influence of oxygen vacancies (V$^{\cdot\cdot}_O$ ) and proton uptake (OH$^{\cdot}_O$ ) in the bulk at varying Ni/Co occupancies. It is revealed that the Ni/Co occupancy contributes to thermal and chemical expansions differently, where thermal expansions are related to Co occupancy. In contrast, chemical expansions are more closely associated with the Ni occupancy. Both V$^{\cdot\cdot}_O$ and OH$^{\cdot}_O$ lead to higher thermal expansions when compared to the pristine PNC. The temperature increase will negatively impact the hydration-induced chemical expansions. For combined thermal and chemical expansions, it is predicted that the strategies that boost the PCEC's electrochemical performance may harm the electrode–electrolyte interfacial stability, when the Ni occupancy is high, due to severe chemical expansions. Mitigating chemical expansions of the Ni-abundant PNC will benefit the interfacial stability. Finally, the presented computational methods for phonon calculations, based on emerging machine learning interatomic potential techniques are anticipated to have a lasting impact on future PCEC development.

computational prediction↗
DOE OSTI2025

Negative linear compressibility and complex phase behaviour in 7 Li 2 CO 3

We present a combination of neutron powder-diffraction measurements demonstrating negative linear compressibility and irregular thermal expansion in 7 Li 2 CO 3 . This is shown to be due to an interplay between the tilting of the rigid carbonate group and the shear strain in the unit cell, which leads to a first-order transition from monoclinic to hexagonal symmetry. The phase evolution is shown to be highly sensitive to the level of hydrostaticity in the sample. Under hydrostatic conditions, the sample begins transformation at 8.5 GPa leading to a change from tetrahedral to octahedral Li coordination. Symmetry adapted basis mode analysis, combined with density functional theoretical (DFT) calculations and Raman spectroscopy, is used to show that this transition is reverse proper ferroelastic in nature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Proof Test Diagrams for a Lithia-Alumina-Silica Glass-Ceramic

The glass-ceramic (Zerodur, Schott Glaswerke, Mainz, Germany) contains 70% to 78% by weight crystalline phase of high-quartz structure with a mean crystal size of 50-55 nm. The vitreous phase has a positive thermal expansion coefficient which is practically balanced by the negative coefficient of the crystalline phase. This results in a material which can maintain longitudinal stability during thermal cycling. This was one of the reasons for its choice as the material for the grazing incidence mirrors for the Chandra X-Ray Facility. Brittle materials such as glass and glass-ceramics which exhibit slow crack growth and subsequent fast fracture to failure exhibit a time dependence in strength. The decrease in strength for a constant applied load is known as static fatigue. In many cases, environment plays a major role in the material lifetime. It has been shown for silicate glasses that crack velocity will increase as the amount of water vapor in the environment surface finish and rate of loading. A rough surface finish leads to a lower tensile strength than for an optically polished surface. The strength of glass is observed in general to increase with increasing load rate. This phenomena is known as dynamic fatigue. This was observed for Zerodur by Tucker and Gent and Tucker in previous dynamic fatigue studies, in which lifetimes were obtained. All of the above named factors need to be considered when glass is to be used in load bearing applications.

Tucker, Dennis S.↗
NASA NTRS2013

Cryogenic Refractive Index and Coefficient of Thermal Expansion for the S-TIH1 Glass

Using the CHARMS facility at NASA GSFC, we have measured the cryogenic refractive index of the Ohara S-TIH1 glass from 0.40 to 2.53 micrometers and from 120 to 300 K. We have also examined the spectral dispersion and thermo-optic coefficients (dn/dT). We also derived temperature-dependent Sellmeier models from which refractive index may be calculated for any wavelength and temperature within the stated ranges of each model. The S-TIH1 glass we tested exhibited unusual behavior in the thermo-optic coefficient. We found that for delta < 0.5 micrometers, the index of refraction decrease with a decrease in temperature (positive dn/dT). However, the situation was reversed for delta larger than 0.63 micrometers, where the index will increase with a decrease in temperature (negative dn/dT). We also measured the coefficient of thermal expansion (CTE) for the similar batch of S-TIH1 glass in order to understand its thermal properties. The CTE showed a monotonic change with a decrease in temperature.

Quijada, Manuel A.↗
DOE OSTI2022

Theory of thermal properties of magnetic materials with unknown entropy

Theoretical approaches to study thermal properties of magnetic materials typically require accurate models of magnetic interactions in order to define the entropy. Here we introduce a complementary approach for examining thermal properties in magnetic systems where an accepted model for such interactions does not exist. In place of a specific model for magnetic interactions, the approach integrates measurements of temperature dependent magnetization of the studied material into a first principles computational scheme. The approach calculates system pressure from thermally disordered microstates that properly incorporate vibrational and spin subsystems at each temperature as well as the coupling between these subsystems. We apply the approach to calculate phonon modes and to investigate the anomalously low thermal expansion of the classical Invar alloy, Fe 0.65 Ni 0.35 . Here, the calculated phonon dispersions for Invar are in excellent agreement with measured data. The Invar thermal expansion is shown to remain small between 50 K and room temperature, consistent with the experimentally observed low thermal expansion value in this same temperature range. This anomalously small thermal expansion is directly connected to a small positive contribution from lattice thermal disorder that is nearly canceled by a large negative magnetic disorder contribution. By contrast, calculations for bcc Fe show a much larger thermal expansion, consistent with experiment, which is dominated by a large contribution from lattice thermal disorder that is reduced only slightly by a small negative contribution from that of magnetism. These findings give insights into the unusual nature of magnetism and spin-lattice coupling in Invar and Fe. In addition, they give promising preliminary support to the presented new methodology as a complementary way to investigate thermal properties of magnetic materials. The success achieved on Invar and Fe motivates future testing of the approach on other magnetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of coherent edge-localized mode on transition to high-performance hybrid scenarios in KSTAR

This paper deals with one of the origins and trigger mechanisms responsible for the observed performance enhancements in the hybrid scenario experiments conducted in Korea Superconducting Tokamak Advanced Research (KSTAR). The major contribution to the performance improvement comes from a broader and higher pedestal formation. The increase of fast ion pressure due to a plasma density decrease also contributes substantially to the global beta. Although the reduced core plasma volume resulting from the pedestal expansion has a negative effect on the core thermal energy, a considerable confinement improvement observed in the inner core region limits the degradation. The one significant characteristic of high-performance discharges is the presence of Coherent Edge-localized Mode (CEM) activity. CEM is triggered during the pedestal recovery phase between typical ELM crashes and has been found to be related to the increase of particle and heat transport. It appears to underlie two commonly observed phenomena in high-performance hybrid scenario discharges in KSTAR; pedestal broadening and continuous density decrease. Despite the associated transport increase, CEM activities can induce performance enhancement. With the pedestal broadening, ELM crashes become delayed and weakened, which, in turn, allows for a higher pedestal. Moreover, the density decrease directly increases fast ion pressure by extending the beam-slowing-down time. The linear gyrokinetic analysis reveals that the increase of fast ions could initiate positive feedback loops, leading to the stabilization of Ion Temperature Gradient mode in the inner core region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗