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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Acoustic Mismatch Model for Thermal Contact Conductance of Van Der Waals Contacts Under Static Force

We report that Van der Waals interfaces play a major role in technology today. Thermal transport in material systems with van der Waals interfaces is mainly limited by the contact conductance. Although the effects of static force, such as pressure or the electrostatic part of hydrogen bonds, on the thermal contact conductance of van der Waals interfaces have been examined in a few studies, the focus was either on numerical simulation using techniques such as molecular dynamics or on experimental investigation. In this article, an analytical model of thermal contact conductance that accounts for the effects of static force and adhesion energy is presented. The application of static forces is found to cause a decrease in the intermolecular distance, which leads to increased interatomic forces across the interfaces and thus higher thermal conductance. The model is in good agreement with experimental data on the effect of pressure on thermal conductance collected by Gotsmann and Lantz (Nature Materials, Vol. 12, p. 59–65, 2012).

36 MATERIALS SCIENCE↗
DOE OSTI2015

Thermal conductivity of rubble piles

Rubble piles are a common feature of solar system bodies. They are composed of monolithic elements of ice or rock bound by gravity. Voids occupy a significant fraction of the volume of a rubble pile. They can exist up to pressure P≈ϵ{sub Y}μ, where ϵ{sub Y} is the monolithic material's yield strain and μ its rigidity. At low P, contacts between neighboring elements are confined to a small fraction of their surface areas. As a result, the effective thermal conductivity of a rubble pile, k{sub con}≈k(P/(ϵ{sub Y}μ)){sup 1/2}, can be orders of magnitude smaller than the thermal conductivity of its monolithic elements, k. In a fluid-free environment, only radiation can transfer energy across voids. It contributes an additional component, k{sub rad}=16ℓσT{sup 3}/3, to the total effective conductivity, k{sub eff}=k{sub con}+k{sub rad}. Here ℓ, the inverse of the opacity per unit volume, is of the order of the size of the elements, and voids. An important distinction between k{sub con} and k{sub rad} is that the former is independent of the size of the elements, whereas the latter is proportional to it. Our expression for k{sub eff} provides a good fit to the depth dependence of thermal conductivity in the top 140 cm of the lunar regolith. It also offers a good starting point for detailed modeling of thermal inertias for asteroids and satellites. Measurement of the response of surface temperature to variable insolation is a valuable diagnostic of a regolith. There is an opportunity for careful experiments under controlled laboratory conditions to test models of thermal conductivity such as the one we outline.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

From amorphous to nanocrystalline: the effect of nanograins in amorphous matrix on the thermal conductivity of hot-wire chemical-vapor deposited silicon films

Here, we have measured the thermal conductivity of amorphous and nanocrystalline silicon films with varying crystalline content from 85K to room temperature. The films were prepared by the hot-wire chemical-vapor deposition, where the crystalline volume fraction is determined by the hydrogen (H2) dilution ratio to the processing silane gas (SiH4), R=H2/SiH4. We varied R from 1 to 10, where the films transform from amorphous for R < 3 to mostly nanocrystalline for larger R. Structural analyses show that the nanograins, averaging from 2 to 9nm in sizes with increasing R, are dispersed in the amorphous matrix. The crystalline volume fraction increases from 0 to 65% as R increases from 1 to 10. The thermal conductivities of the two amorphous silicon films are similar and consistent with the most previous reports with thicknesses no larger than a few um deposited by a variety of techniques. The thermal conductivities of the three nanocrystalline silicon films are also similar, but are about 50-70% higher than those of their amorphous counterparts. The heat conduction in nanocrystalline silicon films can be understood as the combined contribution in both amorphous and nanocrystalline phases, where increased conduction through improved nanocrystalline percolation path outweighs increased interface scattering between silicon nanocrystals and the amorphous matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Implications of phonon anisotropy on thermal conductivity of fluorite oxides

Abstract Fluorite oxides are attractive ionic compounds for a range of applications with critical thermal management requirements. In view of recent reports alluding to anisotropic thermal conductivity in this face-centered cubic crystalline systems, we perform a detailed analysis of the impact of direction-dependent phonon group velocities and lifetimes on the thermal transport of fluorite oxides. We demonstrate that the bulk thermal conductivity of this class of materials remains isotropic despite notable anisotropy in phonon lifetime and group velocity. However, breaking the symmetry of the phonon lifetime under external stimuli including boundary scattering present in nonequilibrium molecular dynamics simulations of finite size simulation cell gives rise to apparent thermal conductivity anisotropy. We observe that for accurate determination of thermal conductivity, it is important to consider phonon properties not only along high symmetry directions commonly measured in inelastic neutron or x-ray scattering experiments but also of those along lower symmetry. Our results suggests that certain low symmetry directions have a larger contribution to thermal conductivity compared to high symmetry ones.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

SnSe 2 thermal conductivity from optothermal Raman and Stokes/anti-Stokes thermometry

The optothermal Raman method is useful in determining the in-plane thermal conductivity of two-dimensional (2D) materials that are either suspended or supported on a substrate. We compare this method with the Stokes/anti-Stokes scattering thermometry method, which can play a role in both calibration of Raman peak positions as well as extraction of the local phonon temperature. This work demonstrates that the Stokes/anti-Stokes intensity ratio plays an important role in determining the in-plane thermal conductivity of 2D tin diselenide (SnSe 2 ) dry-transferred onto a polished copper (Cu) substrate. The statistically-averaged thermal conductivity of the 108 ± 24 nm-thick SnSe 2 yielded 5.4 ± 3.5 Wm −1 K −1 for the optothermal Raman method, and 2.40 ± 0.81 Wm −1 K −1 for the Stokes/anti-Stokes thermometry method, indicating that the Stokes/anti-Stokes thermometry method to calculate the thermal conductivity of a material can simultaneously increase both precision and accuracy. The uncertainty value was also lowered by a factor of 1.9 from the traditional optothermal Raman method to the Stokes/anti-Stokes thermometry method. The low in-plane thermal conductivity of 2D SnSe 2 , 1.3–2.9 times lower than bulk, is useful for applications in thermal and electrical energy conversion and thermoelectric devices.

2D materials↗
DOE OSTI2020

Space-time dependent thermal conductivity in nonlocal thermal transport

Nonlocal thermal transport is generally described by the Peierls-Boltzmann transport equation (PBE). However, solving the PBE for a general space-time dependent problem remains a challenging task due to the high dimensionality of the integro-differential equation. In this work, we present a direct solution to the space-time dependent PBE with a linearized collision matrix using an eigendecomposition method. We show that there exists a generalized Fourier-type relation that links heat flux to the local temperature, and this constitutive relation defines a thermal conductivity that depends on both time and space. Combining this approach with ab initio calculations of phonon properties, we demonstrate that the space-time dependent thermal conductivity gives rise to an oscillatory response in temperature in a transient grating geometry in high thermal conductivity materials. The present solution method allows us to extend the reach of our computational capability for heat conduction to space-time dependent nondiffusive transport regimes. Here, this capability will not only enable a more accurate interpretation of thermal measurements that observe nonlocal thermal transport, but also enhance our physical understanding of nonlocal thermal transport in high thermal conductivity materials that are promising candidates for nanoscale thermal management applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Reconstructing phonon mean-free-path contributions to thermal conductivity using nanoscale membranes

Knowledge of the mean-free-path distribution of heat-carrying phonons is key to understanding phonon-mediated thermal transport. We show that thermal conductivity measurements of thin membranes spanning a wide thickness range can be used to characterize how bulk thermal conductivity is distributed over phonon mean free paths. A noncontact transient thermal grating technique was used to measure the thermal conductivity of suspended Si membranes ranging from 15–1500 nm in thickness. A decrease in the thermal conductivity from 74–13% of the bulk value is observed over this thickness range, which is attributed to diffuse phonon boundary scattering. Because of the well-defined relation between the membrane thickness and phonon mean-free-path suppression, combined with the range and accuracy of the measurements, we can reconstruct the bulk thermal conductivity accumulation vs. phonon mean free path, and compare with theoretical models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

A highly stretchable, transparent, and conductive polymer

Previous breakthroughs in stretchable electronics stem from strain engineering and nanocomposite approaches. Routes toward intrinsically stretchable molecular materials remain scarce but, if successful, will enable simpler fabrication processes, such as direct printing and coating, mechanically robust devices, and more intimate contact with objects. We report a highly stretchable conducting polymer, realized with a range of enhancers that serve a dual function: (i) they change morphology and (ii) they act as conductivity-enhancing dopants in poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS). The polymer films exhibit conductivities comparable to the best reported values for PEDOT:PSS, with over 3100 S/cm under 0% strain and over 4100 S/cm under 100% strain—among the highest for reported stretchable conductors. It is highly durable under cyclic loading, with the conductivity maintained at 3600 S/cm even after 1000 cycles to 100% strain. The conductivity remained above 100 S/cm under 600% strain, with a fracture strain of 800%, which is superior to even the best silver nanowire– or carbon nanotube–based stretchable conductor films. As a result, the combination of excellent electrical and mechanical properties allowed it to serve as interconnects for field-effect transistor arrays with a device density that is five times higher than typical lithographically patterned wavy interconnects.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Current-conducting properties of paper consisting of multiwall carbon nanotubes

Electrical conductivity {sigma}(T) of the paper consisting of multiwalled carbon nanotubes (MWCNTs) is studied in the temperature range 4.2-295 K, and its magnetoresistivity {rho}(B) at various temperatures in magnetic fields up to 9 T is analyzed. The temperature dependence of the paper electrical conductivity {sigma}(T) exhibits two-dimensional quantum corrections to the conductivity below 10 K. The dependences of negative magnetoresistivity {rho}(B) measured at various temperatures are used to estimate the wavefunction phase breakdown length L{sub {phi}} of conduction electrons and to obtain the temperature dependence L{sub {phi}} = constT{sup -p/2}, where p Almost-Equal-To 1/3. Similar dependences of electrical conductivity {sigma}(T), magnetoresistivity {rho}(B), and phase breakdown length L{sub {phi}}(T) are detected for the initial MWCNTs used to prepare the paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effective conductivity of the rectangular and hexagonal tessellations in the plane

The effective conductivity of the two-dimensional periodic polygonal tessellations in the plane is determined using the perturbation theory and numerically. A diagram technique in perturbation theory for the effective conductivity of the tesselations in the plane is established using oblique coordinates. Calculations for the three color hexagonal tesselation have been carried out. A numerical method is developed for obtaining effective conductivity with high accuracy both when the perturbation theory is applicable and when the conductivities of the tessellation components are substantially different. For small differences between the conductivities of the components, the approach of the perturbation theory agrees with the numerical results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

The Complexity Classes of Angular Diagrams of the Metal Conductivity in Strong Magnetic Fields

We consider angular diagrams describing the dependence of the magnetic conductivity of metals on the direction of the magnetic field in rather strong fields. As it can be shown, all angular conductivity diagrams can be divided into a finite number of classes with different complexities. The greatest interest among such diagrams is represented by diagrams with the maximal complexity, which can occur for metals with rather complicated Fermi surfaces. In describing the structure of complex diagrams, in addition to the description of the conductivity itself, the description of the Hall conductivity for different directions of the magnetic field plays very important role. For the evaluation of the complexity of angular diagrams of the conductivity of metals, it is also convenient to compare such diagrams with the full mathematical diagrams that are defined (formally) for the entire dispersion relation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High Thermal Conductivity, Radiation Resistant Adhesive for High Energy Physics

High Energy Physics systems include particle detector electronics that are integrated with cooling channels and structural housings. Adhesives used to bond these devices to the cooling lines and housings should contribute to cooling by conducting heat away from the electronics and preventing hot spots from developing in either the electronics or the housing. Effective cooling can produce order of magnitude reduction in electronics failure rates. During Phase I, Surmet demonstrated feasibility of a novel radiation-tolerant high-thermal-conductivity adhesive for HEP systems. This was achieved through use of suitable high thermal conductivity fillers to resin adhesive. Feasibility of the technology was demonstrated through key processing and characterization/testing work. The novel filled adhesive was produced in thin-film form to promote heat removal performance and simplify assembly. It was shown to have thermal conductivity >35x that of conventional epoxies. It was shown to successfully withstand strong gamma and proton irradiation. This was demonstrated through density and microstructural characterization as well as thermal conductivity and strength measurement, before and after irradiation. Finally, production of the novel filled adhesive relies on mature processing techniques, simplifying the transition to scale-up and commercialization. During the course of Phase I, Surmet held discussions with a number of researchers working on DOE HEP systems, to understand requirements. These discussions guided the Phase I research, and will be used to plan out follow-on Phase II work. In Phase II research, we will optimize the filled adhesive and tailor it to various product forms to address the multiple applications. Surmet has teamed with a major filled-resin products manufacturer who sees a high commercialization potential for our technology. This team-up will promote development of technology that is well suited for commercialization beyond Phase II.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The Organic Chemistry of Conducting Polymers

For the last several years, we have examined the fundamental principles of conduction in one-dimensional systems, i.e., molecular “wires”. It is, of course, widely recognized that such systems, as components of electronically conductive materials, function in a two- and three-dimensional milieu. Thus interchain hopping and grain-boundary resistivity are limiting conductivity factors in highly conductive materials, and overall conductivity is a function of through-chain and boundary hopping. We have given considerable attention to the basic principles underlying charge transport (the “rules of the game”) in two-dimensional systems by using model systems which allow direct observation of such processes, including the examination of tunneling and hopping as components of charge transfer. In related work, we have spent considerable effort on the chemistry of conjugated heteropolymers, most especially polythiophens, with the aim of using these most efficient of readily available electroactive polymers in photovoltaic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The influence of low dose neutron irradiation on the thermal conductivity of Allcomp carbon foam

Oak Ridge National Laboratory was contracted via a Work for Others Agreement with Allcomp Inc. (NFE-14-05011-MSOF: Carbon Foam for Beam Stop Applications ) to determine the influence of low irradiation dose on the thermal conductivity of Allcomp Carbon Foam. Samples (6 mm dia. x 5 mm thick) were successfully irradiated in a rabbit capsule in a hydraulic tube in the target region of the High Flux Isotope Reactor at the Oak Ridge National Laboratory. The specimens were irradiated at T irr = 747.5 C to a neutron damage dose of 0.2 dpa. There is a small dimensional and volume shrinkage and the mass and density appear reduced (we would expect density to increase as volume reduces at constant mass). The small changes in density, dimensions or volume are not of concern. At 0.2 dpa the irradiation shrinkage rate difference between the glassy carbon skeleton and the CVD coating was not sufficient to cause a large enough irradiation-induced strain to create any mechanical degradation. Similarly differential thermal expansion was not a problem. It appears that only the thermal conductivity was affected by 0.2 dpa. For the intended application conditions, i.e. @ 400 C and 0 DPA (start- up) the foam thermal conductivity is about 57 W/m.K and at 700 C and 0.2 DPA (end of life) the foam thermal conductivity is approx. 30.7 W/m.K. The room temp thermal conductivity drops from 100-120 W/m.K to approximately 30 W/m.K after 0.2 dpa of neutron irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Low-Cost Proton Conducting Membranes for PEM Fuel Cells

Proton exchange membrane (PEM) is the key component in PEM fuel cells that critically determines the system performance and its economic viability. Presently, the state-of-the-art PEMs, such as Nafion membranes, are based on perfluorosulfonic acid (PFSA) ionomers. But these ionomer materials are expensive, particularly at the low volumes that will be needed for initial commercialization. Besides, they are not suitable for fuel cells operated beyond 100°C, because of the limitations connected to the humidification requirement of such membrane materials, limiting the maximum operating temperature to about 90°C. Fuel cells for transportation applications are required to operate in a wide temperature range from –20°C to 120°C. Low-cost PEMs with capabilities in a range of temperature and humidity conditions are urgently needed to meet the DOE fuel cell targets for transportation applications. Amsen Technologies LLC chooses to address the DOE call with a novel reinforced PEM approach based on new, non-PFSA proton conducting ionomers developed from our previous DOE SBIR projects. Along with this approach is the use of very cheap, ultra thin and highly porous microporous polymer meshes as the support for the membrane. The new PEM is expected to have significant cost advantages over traditional PEMs. The microporous polyolefin support costs $2-3/m 2 ; and the new ionomers that Amsen has developed are estimated at ~$\$$250/kg at the higher end including material costs and labor costs (which may go down in the future as the processing is optimized and production scaled up). These have led to an estimate of total material cost for the membrane at $\$$11 to $\$$12/m 2 , offering high potential of meeting the DOE cost targets (≤$\$$20/m 2 ) after adding processing cost and profit margin. The Phase I results have successfully demonstrated that it is very promising to develop the intended low-cost, high-performance PEM membrane. Suitable material system has been identified, and suitable process for forming the new PEM has been developed. Uniform membranes have been reproducibly fabricated. These membranes have been extensively characterized and evaluated in terms of microstructural features, and relevant physical and chemical properties including proton conductivity and area specific proton resistance in a range of temperature and humidity conditions, resistance to electronic conduction, water uptake/swelling, dimensional stability, chemical stability, and mechanical durability. Membrane electrode assemblies (MEA) with the new membrane have been successfully prepared and tested for fuel cell operation. The new PEM showed higher proton conductivity than Nafion membranes for all measurement conditions used in Phase I. With high proton conductivity and ultra-thin thickness (~20 /m), the new membrane showed high promise to met DOE targets for the low ASR. The ASR targets have been met for relatively high RH but not yet for RH ≤ 70%. Further optimization in ionomer chemistry and membrane processing is needed in order to meet the ASR targets for a wide range of temperature and humidity conditions. The new membrane showed fairly high electronic resistance at 1373 ohm cm 2 , meeting the DOE target for electronic resistance (> 1000 ohm cm 2 ). The new membrane also has demonstrated promisingly high chemical stability, high mechanical durability, and high dimensional stability. Fuel cell operation using MEAs with the new membrane have shown the same level of fuel cell performance as MEAs with Nafion membranes. Overall, the new membrane has been demonstrated to have high potential of meeting all DOE performance targets for fuel cell applications as well as the cost targets. The manufacturers of PEM fuel cells, PEM electrolyzers, redox flow batteries, and MEA are the end-users and customers of PEMs. For commercialization purpose and potential partnering relations, we have been talking with many such manufacturers. They have responded with extremely high interest in the new PEM being developed in the present technology. Accomplishments so far have laid down a strong base for Amsen to further the development efforts on this new PEM and to pursue commercialization. The near-term future work will be mainly focused on further development and systematical optimization of the material system, processing, and performance of the new membrane; systematical evaluation of the new membrane in terms of all relevant properties including long-term mechanical, chemical, and combined chemical/mechanical durabilities using DOE specified testing protocols; development of production scale-up scheme; and preparation for commercialization.

08 HYDROGEN↗
DOE OSTI2021

Helical Covalent Polymers with Unidirectional Ion Channels as Single Lithium-Ion Conducting Electrolytes

Single-ion conducting polymer electrolytes have attracted great attention as safe alternatives to liquid electrolytes in high energy density lithium-ion batteries. Herein, we report the first example of a crystalline anionic helical polymer as a single lithium-ion conducting solid polymer electrolyte (SPE). Single-crystal X-ray analysis shows that the polymer folds into densely packed double helices, with bundles of unidirectional negatively charged channels formed that can facilitate lithium-ion transportation. Such a helical covalent polymer ( HCP) exhibits excellent room temperature lithium-ion conductivity (1.2 x 10 -3 S cm -1 ) in the absence of external lithium salts, a high transference number (0.84), low activation energy (0.14 eV), and a wide electrochemical stability window (0.2-5 V). We found that nonflammable, nonvolatile ionic liquid can serve as a solvating medium and excellent conductivity enhancer (>1000 times increase). These ion-conducting properties are comparable to the best polyethylene oxide-based polymer electrolytes mixed with lithium salts. Finally, we show that the solvated HCP SPE enables the reversible cycling of an all-solid-state cell prepared with a high-voltage NMC 811 cathode. Our study opens up new possibilities for developing next-generation high-performance solid-state electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2022

Projecting the Thermal Response in a HTGR-Type System during Conduction Cooldown Using Graph-Laplacian Based Machine Learning

Accurate prediction of an off-normal event in a nuclear reactor is dependent upon the availability of sensory data, reactor core physical condition, and understanding of the underlying phenomenon. This work presents a method to project the data from some discrete sensory locations to the overall reactor domain during conduction cooldown scenarios similar to High Temperature Gas-cooled Reactors (HTGRs). The existing models for conductive cooldown in a heterogeneous multi-body system, such as an assembly of prismatic blocks or pebble beds relies on knowledge of the thermal contact conductance, requiring significant knowledge of local thermal contacts and heat transport possibilities across those contacts. With a priori knowledge of bulk geometry features and some discrete sensors, a machine learning approach was devised. The presented work uses an experimental facility to mimic conduction cooldown with an assembly of 68 cylindrical rods initially heated to 1200 K. High-fidelity temperature data were collected using an infrared (IR) camera to provide training data to the model and validate the predicted temperature data. The machine learning approach used here first converts the macroscopic bulk geometry information into Graph-Laplacian, and then uses the eigenvectors of the Graph-Laplacian to develop Kernel functions. Support vector regression (SVR) was implemented on the obtained Kernels and used to predict the thermal response in a packed rod assembly during a conduction cooldown experiment. The usage of SVR modeling differs from most models today because of its representation of thermal coupling between rods in the core. When trained with thermographic data, the average normalized error is less than 2% over 400 s, during which temperatures of the assembly have dropped by more than 500 K. The rod temperature prediction performance was significantly better for rods in the interior of the assembly compared to those near the exterior, likely due to the model simplification of the surroundings.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Surface and Bulk Oxygen Kinetics of BaCo 0.4 Fe 0.4 Zr 0.2-X Y X O 3-δ Triple Conducting Electrode Materials

Triple ionic-electronic conductors have received much attention as electrode materials. In this work, the bulk characteristics of oxygen diffusion and surface exchange were determined for the triple-conducting BaCo 0.4 Fe 0.4 Zr 0.2-X Y X O 3-δ suite of samples. Y substitution increased the overall size of the lattice due to dopant ionic radius and the concomitant formation of oxygen vacancies. Oxygen permeation measurements exhibited a three-fold decrease in oxygen permeation flux with increasing Y substitution. The DC total conductivity exhibited a similar decrease with increasing Y substitution. These relatively small changes are coupled with an order of magnitude increase in surface exchange rates from Zr-doped to Y-doped samples as observed by conductivity relaxation experiments. The results indicate that Y-doping inhibits bulk O 2- conduction while improving the oxygen reduction surface reaction, suggesting better electrode performance for proton-conducting systems with greater Y substitution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗