Sample records for nanoscale thermal transport

  1. Nanoscale thermal transport: Theoretical method and application

    NASA Astrophysics Data System (ADS)

    Zeng, Yu-Jia; Liu, Yue-Yang; Zhou, Wu-Xing; Chen, Ke-Qiu

    2018-03-01

    With the size reduction of nanoscale electronic devices, the heat generated by the unit area in integrated circuits will be increasing exponentially, and consequently the thermal management in these devices is a very important issue. In addition, the heat generated by the electronic devices mostly diffuses to the air in the form of waste heat, which makes the thermoelectric energy conversion also an important issue for nowadays. In recent years, the thermal transport properties in nanoscale systems have attracted increasing attention in both experiments and theoretical calculations. In this review, we will discuss various theoretical simulation methods for investigating thermal transport properties and take a glance at several interesting thermal transport phenomena in nanoscale systems. Our emphasizes will lie on the advantage and limitation of calculational method, and the application of nanoscale thermal transport and thermoelectric property. Project supported by the Nation Key Research and Development Program of China (Grant No. 2017YFB0701602) and the National Natural Science Foundation of China (Grant No. 11674092).

  2. Nanoscale thermal transport. II. 2003-2012

    NASA Astrophysics Data System (ADS)

    Cahill, David G.; Braun, Paul V.; Chen, Gang; Clarke, David R.; Fan, Shanhui; Goodson, Kenneth E.; Keblinski, Pawel; King, William P.; Mahan, Gerald D.; Majumdar, Arun; Maris, Humphrey J.; Phillpot, Simon R.; Pop, Eric; Shi, Li

    2014-03-01

    A diverse spectrum of technology drivers such as improved thermal barriers, higher efficiency thermoelectric energy conversion, phase-change memory, heat-assisted magnetic recording, thermal management of nanoscale electronics, and nanoparticles for thermal medical therapies are motivating studies of the applied physics of thermal transport at the nanoscale. This review emphasizes developments in experiment, theory, and computation in the past ten years and summarizes the present status of the field. Interfaces become increasingly important on small length scales. Research during the past decade has extended studies of interfaces between simple metals and inorganic crystals to interfaces with molecular materials and liquids with systematic control of interface chemistry and physics. At separations on the order of ˜ 1 nm , the science of radiative transport through nanoscale gaps overlaps with thermal conduction by the coupling of electronic and vibrational excitations across weakly bonded or rough interfaces between materials. Major advances in the physics of phonons include first principles calculation of the phonon lifetimes of simple crystals and application of the predicted scattering rates in parameter-free calculations of the thermal conductivity. Progress in the control of thermal transport at the nanoscale is critical to continued advances in the density of information that can be stored in phase change memory devices and new generations of magnetic storage that will use highly localized heat sources to reduce the coercivity of magnetic media. Ultralow thermal conductivity—thermal conductivity below the conventionally predicted minimum thermal conductivity—has been observed in nanolaminates and disordered crystals with strong anisotropy. Advances in metrology by time-domain thermoreflectance have made measurements of the thermal conductivity of a thin layer with micron-scale spatial resolution relatively routine. Scanning thermal microscopy and thermal

  3. A Theoretical Review on Interfacial Thermal Transport at the Nanoscale.

    PubMed

    Zhang, Ping; Yuan, Peng; Jiang, Xiong; Zhai, Siping; Zeng, Jianhua; Xian, Yaoqi; Qin, Hongbo; Yang, Daoguo

    2018-01-01

    With the development of energy science and electronic technology, interfacial thermal transport has become a key issue for nanoelectronics, nanocomposites, energy transmission, and conservation, etc. The application of thermal interfacial materials and other physical methods can reliably improve the contact between joined surfaces and enhance interfacial thermal transport at the macroscale. With the growing importance of thermal management in micro/nanoscale devices, controlling and tuning the interfacial thermal resistance (ITR) at the nanoscale is an urgent task. This Review examines nanoscale interfacial thermal transport mainly from a theoretical perspective. Traditional theoretical models, multiscale models, and atomistic methodologies for predicting ITR are introduced. Based on the analysis and summary of the factors that influence ITR, new methods to control and reduce ITR at the nanoscale are described in detail. Furthermore, the challenges facing interfacial thermal management and the further progress required in this field are discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Nanoscale hotspots due to nonequilibrium thermal transport.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sinha, Sanjiv; Goodson, Kenneth E.

    2004-01-01

    Recent experimental and modeling efforts have been directed towards the issue of temperature localization and hotspot formation in the vicinity of nanoscale heat generating devices. The nonequilibrium transport conditions which develop around these nanoscale devices results in elevated temperatures near the heat source which can not be predicted by continuum diffusion theory. Efforts to determine the severity of this temperature localization phenomena in silicon devices near and above room temperature are of technological importance to the development of microelectronics and other nanotechnologies. In this work, we have developed a new modeling tool in order to explore the magnitude of themore » additional thermal resistance which forms around nanoscale hotspots from temperatures of 100-1000K. The models are based on a two fluid approximation in which thermal energy is transferred between ''stationary'' optical phonons and fast propagating acoustic phonon modes. The results of the model have shown excellent agreement with experimental results of localized hotspots in silicon at lower temperatures. The model predicts that the effect of added thermal resistance due to the nonequilibrium phonon distribution is greatest at lower temperatures, but is maintained out to temperatures of 1000K. The resistance predicted by the numerical code can be easily integrated with continuum models in order to predict the temperature distribution around nanoscale heat sources with improved accuracy. Additional research efforts also focused on the measurements of the thermal resistance of silicon thin films at higher temperatures, with a focus on polycrystalline silicon. This work was intended to provide much needed experimental data on the thermal transport properties for micro and nanoscale devices built with this material. Initial experiments have shown that the exposure of polycrystalline silicon to high temperatures may induce recrystallization and radically increase the thermal

  5. Probing Nanoscale Thermal Transport in Surfactant Solutions

    PubMed Central

    Cao, Fangyu; Liu, Ying; Xu, Jiajun; He, Yadong; Hammouda, B.; Qiao, Rui; Yang, Bao

    2015-01-01

    Surfactant solutions typically feature tunable nanoscale, internal structures. Although rarely utilized, they can be a powerful platform for probing thermal transport in nanoscale domains and across interfaces with nanometer-size radius. Here, we examine the structure and thermal transport in solution of AOT (Dioctyl sodium sulfosuccinate) in n-octane liquids using small-angle neutron scattering, thermal conductivity measurements, and molecular dynamics simulations. We report the first experimental observation of a minimum thermal conductivity occurring at the critical micelle concentration (CMC): the thermal conductivity of the surfactant solution decreases as AOT is added till the onset of micellization but increases as more AOT is added. The decrease of thermal conductivity with AOT loading in solutions in which AOT molecules are dispersed as monomers suggests that even the interfaces between individual oleophobic headgroup of AOT molecules and their surrounding non-polar octane molecules can hinder heat transfer. The increase of thermal conductivity with AOT loading after the onset of micellization indicates that the thermal transport in the core of AOT micelles and across the surfactant-oil interfaces, both of which span only a few nanometers, are efficient. PMID:26534840

  6. A new regime of nanoscale thermal transport: Collective diffusion increases dissipation efficiency

    DOE PAGES

    Hoogeboom-Pot, Kathleen M.; Hernandez-Charpak, Jorge N.; Gu, Xiaokun; ...

    2015-03-23

    Understanding thermal transport from nanoscale heat sources is important for a fundamental description of energy flow in materials, as well as for many technological applications including thermal management in nanoelectronics and optoelectronics, thermoelectric devices, nanoenhanced photovoltaics, and nanoparticle-mediated thermal therapies. Thermal transport at the nanoscale is fundamentally different from that at the macroscale and is determined by the distribution of carrier mean free paths and energy dispersion in a material, the length scales of the heat sources, and the distance over which heat is transported. Past work has shown that Fourier’s law for heat conduction dramatically overpredicts the rate ofmore » heat dissipation from heat sources with dimensions smaller than the mean free path of the dominant heat-carrying phonons. In this work, we uncover a new regime of nanoscale thermal transport that dominates when the separation between nanoscale heat sources is small compared with the dominant phonon mean free paths. Surprisingly, the interaction of phonons originating from neighboring heat sources enables more efficient diffusive-like heat dissipation, even from nanoscale heat sources much smaller than the dominant phonon mean free paths. This finding suggests that thermal management in nanoscale systems including integrated circuits might not be as challenging as previously projected. In conclusion, we demonstrate a unique capability to extract differential conductivity as a function of phonon mean free path in materials, allowing the first (to our knowledge) experimental validation of predictions from the recently developed first-principles calculations.« less

  7. A new regime of nanoscale thermal transport: Collective diffusion increases dissipation efficiency

    NASA Astrophysics Data System (ADS)

    Hoogeboom-Pot, Kathleen M.; Hernandez-Charpak, Jorge N.; Gu, Xiaokun; Frazer, Travis D.; Anderson, Erik H.; Chao, Weilun; Falcone, Roger W.; Yang, Ronggui; Murnane, Margaret M.; Kapteyn, Henry C.; Nardi, Damiano

    2015-04-01

    Understanding thermal transport from nanoscale heat sources is important for a fundamental description of energy flow in materials, as well as for many technological applications including thermal management in nanoelectronics and optoelectronics, thermoelectric devices, nanoenhanced photovoltaics, and nanoparticle-mediated thermal therapies. Thermal transport at the nanoscale is fundamentally different from that at the macroscale and is determined by the distribution of carrier mean free paths and energy dispersion in a material, the length scales of the heat sources, and the distance over which heat is transported. Past work has shown that Fourier's law for heat conduction dramatically overpredicts the rate of heat dissipation from heat sources with dimensions smaller than the mean free path of the dominant heat-carrying phonons. In this work, we uncover a new regime of nanoscale thermal transport that dominates when the separation between nanoscale heat sources is small compared with the dominant phonon mean free paths. Surprisingly, the interaction of phonons originating from neighboring heat sources enables more efficient diffusive-like heat dissipation, even from nanoscale heat sources much smaller than the dominant phonon mean free paths. This finding suggests that thermal management in nanoscale systems including integrated circuits might not be as challenging as previously projected. Finally, we demonstrate a unique capability to extract differential conductivity as a function of phonon mean free path in materials, allowing the first (to our knowledge) experimental validation of predictions from the recently developed first-principles calculations.

  8. Thermal transport at the nanoscale: A Fourier's law vs. phonon Boltzmann equation study

    NASA Astrophysics Data System (ADS)

    Kaiser, J.; Feng, T.; Maassen, J.; Wang, X.; Ruan, X.; Lundstrom, M.

    2017-01-01

    Steady-state thermal transport in nanostructures with dimensions comparable to the phonon mean-free-path is examined. Both the case of contacts at different temperatures with no internal heat generation and contacts at the same temperature with internal heat generation are considered. Fourier's law results are compared to finite volume method solutions of the phonon Boltzmann equation in the gray approximation. When the boundary conditions are properly specified, results obtained using Fourier's law without modifying the bulk thermal conductivity are in essentially exact quantitative agreement with the phonon Boltzmann equation in the ballistic and diffusive limits. The errors between these two limits are examined in this paper. For the four cases examined, the error in the apparent thermal conductivity as deduced from a correct application of Fourier's law is less than 6%. We also find that the Fourier's law results presented here are nearly identical to those obtained from a widely used ballistic-diffusive approach but analytically much simpler. Although limited to steady-state conditions with spatial variations in one dimension and to a gray model of phonon transport, the results show that Fourier's law can be used for linear transport from the diffusive to the ballistic limit. The results also contribute to an understanding of how heat transport at the nanoscale can be understood in terms of the conceptual framework that has been established for electron transport at the nanoscale.

  9. Sub-picowatt/kelvin resistive thermometry for probing nanoscale thermal transport.

    PubMed

    Zheng, Jianlin; Wingert, Matthew C; Dechaumphai, Edward; Chen, Renkun

    2013-11-01

    Advanced instrumentation in thermometry holds the key for experimentally probing fundamental heat transfer physics. However, instrumentation with simultaneously high thermometry resolution and low parasitic heat conduction is still not available today. Here we report a resistive thermometry scheme with ~50 μK temperature resolution and ~0.25 pW/K thermal conductance resolution, which is achieved through schemes using both modulated heating and common mode noise rejection. The suspended devices used herein have been specifically designed to possess short thermal time constants and minimal attenuation effects associated with the modulated heating current. Furthermore, we have systematically characterized the parasitic background heat conductance, which is shown to be significantly reduced using the new device design and can be effectively eliminated using a "canceling" scheme. Our results pave the way for probing fundamental nanoscale thermal transport processes using a general scheme based on resistive thermometry.

  10. Nanoscale phase engineering of thermal transport with a Josephson heat modulator.

    PubMed

    Fornieri, Antonio; Blanc, Christophe; Bosisio, Riccardo; D'Ambrosio, Sophie; Giazotto, Francesco

    2016-03-01

    Macroscopic quantum phase coherence has one of its pivotal expressions in the Josephson effect, which manifests itself both in charge and energy transport. The ability to master the amount of heat transferred through two tunnel-coupled superconductors by tuning their phase difference is the core of coherent caloritronics, and is expected to be a key tool in a number of nanoscience fields, including solid-state cooling, thermal isolation, radiation detection, quantum information and thermal logic. Here, we show the realization of the first balanced Josephson heat modulator designed to offer full control at the nanoscale over the phase-coherent component of thermal currents. Our device provides magnetic-flux-dependent temperature modulations up to 40 mK in amplitude with a maximum of the flux-to-temperature transfer coefficient reaching 200 mK per flux quantum at a bath temperature of 25 mK. Foremost, it demonstrates the exact correspondence in the phase engineering of charge and heat currents, breaking ground for advanced caloritronic nanodevices such as thermal splitters, heat pumps and time-dependent electronic engines.

  11. Nanoscale phase engineering of thermal transport with a Josephson heat modulator

    NASA Astrophysics Data System (ADS)

    Fornieri, Antonio; Blanc, Christophe; Bosisio, Riccardo; D'Ambrosio, Sophie; Giazotto, Francesco

    2016-03-01

    Macroscopic quantum phase coherence has one of its pivotal expressions in the Josephson effect, which manifests itself both in charge and energy transport. The ability to master the amount of heat transferred through two tunnel-coupled superconductors by tuning their phase difference is the core of coherent caloritronics, and is expected to be a key tool in a number of nanoscience fields, including solid-state cooling, thermal isolation, radiation detection, quantum information and thermal logic. Here, we show the realization of the first balanced Josephson heat modulator designed to offer full control at the nanoscale over the phase-coherent component of thermal currents. Our device provides magnetic-flux-dependent temperature modulations up to 40 mK in amplitude with a maximum of the flux-to-temperature transfer coefficient reaching 200 mK per flux quantum at a bath temperature of 25 mK. Foremost, it demonstrates the exact correspondence in the phase engineering of charge and heat currents, breaking ground for advanced caloritronic nanodevices such as thermal splitters, heat pumps and time-dependent electronic engines.

  12. Time-Dependent Thermal Transport Theory.

    PubMed

    Biele, Robert; D'Agosta, Roberto; Rubio, Angel

    2015-07-31

    Understanding thermal transport in nanoscale systems presents important challenges to both theory and experiment. In particular, the concept of local temperature at the nanoscale appears difficult to justify. Here, we propose a theoretical approach where we replace the temperature gradient with controllable external blackbody radiations. The theory recovers known physical results, for example, the linear relation between the thermal current and the temperature difference of two blackbodies. Furthermore, our theory is not limited to the linear regime and goes beyond accounting for nonlinear effects and transient phenomena. Since the present theory is general and can be adapted to describe both electron and phonon dynamics, it provides a first step toward a unified formalism for investigating thermal and electronic transport.

  13. Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Yi; Chen, Frank; Park, Joonkyu

    Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than the averagedmore » phonon mean-free path in BaTiO3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. This time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

  14. Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Yi; Chen, Frank; Park, Joonkyu

    Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

  15. Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

    DOE PAGES

    Zhu, Yi; Chen, Frank; Park, Joonkyu; ...

    2017-11-16

    Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than themore » averaged phonon mean-free path in BaTiO 3. On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.« less

  16. Thermal and thermoelectric transport in nanoscale systems

    NASA Astrophysics Data System (ADS)

    Murphy, Padraig Gerard

    This thesis deals with transport in molecular junctions and nanowires. We show that a molecular junction can give large values of the thermoelectric figure of merit ZT, and so could be used as a solid state energy conversion device that operates close to the Carnot efficiency. The mechanism is similar to the Mahan-Sofo model for bulk thermoelectrics---the Lorenz ratio goes to zero, violating the Wiedemann-Franz law, while the thermopower remains non-zero. The molecular state through which charge is transported must be weakly coupled to the leads, and the energy level of the state must be of order kBT away from the Fermi energy of the leads. In practice, the figure of merit is limited by the phonon thermal conductance; we show that the largest possible ZT-G˜ph th-1/2 , where G˜phth is the phonon thermal conductance divided by the thermal conductance quantum. The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. A scalable numerical transfer-matrix technique is developed and applied to model quasi-one-dimensional systems in order to confirm simple analytic predictions. We argue that existing thermal conductivity data on semiconductor nanowires, showing an unexpected linear temperature dependence, can be understood through a model that combines incoherent surface scattering for short-wavelength phonons with nearly ballistic long-wavelength phonons.

  17. Subcontinuum thermal transport in tip-based thermal engineering

    NASA Astrophysics Data System (ADS)

    Hamian, Sina

    For the past two decades, tip-based thermal engineering has made remarkable advances to realize unprecedented nanoscale thermal applications, such as thermomechanical data storage, thermophysical/chemical property characterization of materials in nanometer scale, and scanning thermal imaging and analysis. All these applications involve localized heating with elevated temperature, generally in the order of mean free paths of heat carriers, thus necessitates fundamental understanding of sub-continuum thermal transport across point constrictions and within thin films. Considering the demands, this dissertation is divided into three main scopes providing: (1) a numerical model that provides insight onto nanoscale thermal transport, (2) an electrothermal characterization of a heated microcantilever as a localized heating source, and (3) qualitative measurement of tip-substrate thermal transport using high resolution nanothermometer/heater. This dissertation starts with a literature review on the three aforementioned scopes followed by a numerical model for two-dimensional transient ballistic-diffusive heat transfer combining finite element analysis with discrete ordinate method (DOM-FEA), seeking to provide insight on subcontinuum thermal transport. The phonon Boltzmann transport equation (BTE) under grey relaxation time approximation is solved for different Knudsen numbers. Next, a thermal microcantilever, as one of the main tools in tip-based thermal engineering, is characterized under periodic heating operation in air and vacuum using 3o technique. A three-dimensional FEA simulation of a thermal microcantilever is used to model heat transfer in frequency domain resulting in good agreement with the experiment. Next, quantitative thermal transport is measured by a home-built nanothermometer fabricated using combination of electron-beam lithography and photolithography. An atomic force microscope (AFM) cantilever is used to scan over the sensing probe of the

  18. Nanoscale Phonon Transport as Probed with a Microfabricated Phonon Spectrometer for the Study of Nanoscale Energy Transport

    NASA Astrophysics Data System (ADS)

    Robinson, Richard; Otelaja, Obafemi; Hertzberg, Jared; Aksit, Mahmut; Stewart, Derek

    2013-03-01

    Phonons are the dominant heat carriers in dielectrics and a clear understanding of their behavior at the nanoscale is important for the development of efficient thermoelectric devices. In this work we show how acoustic phonon transport can be directly probed by the generation and detection of non-equilibrium phonons in microscale and nanoscale structures. Our technique employs a scalable method of fabricating phonon generators and detectors by forming Al-AlxOy-Al superconducting tunnel junctions on the sidewalls of a silicon mesa etched with KOH and an operating temperature of 0.3K. In the line-of-sight path along the width of these mesas, phonons with frequency ~100 GHz can propagate ballistically The phonons radiate into the mesa and are observed by the detector after passing through the mesa. We fabricated silicon nanosheets of width 100 to 300 nm along the ballistic path and observe surface scattering effects on phonon transmission when the characteristic length scale of a material is less than the phonon mean free path. We compare our results to the Casimir-Ziman theory. Our methods can be adapted for studying phonon transport in other nanostructures and will improve the understanding of phonon contribution to thermal transport. The work was supported in part by the National Science Foundation under Agreement No. DMR-1149036.

  19. A Thermal Diode Based on Nanoscale Thermal Radiation.

    PubMed

    Fiorino, Anthony; Thompson, Dakotah; Zhu, Linxiao; Mittapally, Rohith; Biehs, Svend-Age; Bezencenet, Odile; El-Bondry, Nadia; Bansropun, Shailendra; Ben-Abdallah, Philippe; Meyhofer, Edgar; Reddy, Pramod

    2018-05-23

    In this work we demonstrate thermal rectification at the nanoscale between doped Si and VO 2 surfaces. Specifically, we show that the metal-insulator transition of VO 2 makes it possible to achieve large differences in the heat flow between Si and VO 2 when the direction of the temperature gradient is reversed. We further show that this rectification increases at nanoscale separations, with a maximum rectification coefficient exceeding 50% at ∼140 nm gaps and a temperature difference of 70 K. Our modeling indicates that this high rectification coefficient arises due to broadband enhancement of heat transfer between metallic VO 2 and doped Si surfaces, as compared to narrower-band exchange that occurs when VO 2 is in its insulating state. This work demonstrates the feasibility of accomplishing near-field-based rectification of heat, which is a key component for creating nanoscale radiation-based information processing devices and thermal management approaches.

  20. General theories and features of interfacial thermal transport

    NASA Astrophysics Data System (ADS)

    Zhou, Hangbo; Zhang, Gang

    2018-03-01

    A clear understanding and proper control of interfacial thermal transport is important in nanoscale device. In this review, we first discuss the theoretical methods to handle the interfacial thermal transport problem, such as the macroscopic model, molecular dynamics, lattice dynamics and modern quantum transport theories. Then we discuss various effects that can significantly affect the interfacial thermal transport, such as the formation of chemical bonds at interface, defects and interface roughness, strain and substrates, atomic species and mass ratios, structural orientations. Then importantly, we analyze the role of inelastic scatterings at the interface, and discuss its application in thermal rectifications. Finally, the challenges and promising directions are discussed.

  1. Evidence for thermally assisted threshold switching behavior in nanoscale phase-change memory cells

    NASA Astrophysics Data System (ADS)

    Le Gallo, Manuel; Athmanathan, Aravinthan; Krebs, Daniel; Sebastian, Abu

    2016-01-01

    In spite of decades of research, the details of electrical transport in phase-change materials are still debated. In particular, the so-called threshold switching phenomenon that allows the current density to increase steeply when a sufficiently high voltage is applied is still not well understood, even though there is wide consensus that threshold switching is solely of electronic origin. However, the high thermal efficiency and fast thermal dynamics associated with nanoscale phase-change memory (PCM) devices motivate us to reassess a thermally assisted threshold switching mechanism, at least in these devices. The time/temperature dependence of the threshold switching voltage and current in doped Ge2Sb2Te5 nanoscale PCM cells was measured over 6 decades in time at temperatures ranging from 40 °C to 160 °C. We observe a nearly constant threshold switching power across this wide range of operating conditions. We also measured the transient dynamics associated with threshold switching as a function of the applied voltage. By using a field- and temperature-dependent description of the electrical transport combined with a thermal feedback, quantitative agreement with experimental data of the threshold switching dynamics was obtained using realistic physical parameters.

  2. Spectral mapping of thermal conductivity through nanoscale ballistic transport

    NASA Astrophysics Data System (ADS)

    Hu, Yongjie; Zeng, Lingping; Minnich, Austin J.; Dresselhaus, Mildred S.; Chen, Gang

    2015-08-01

    Controlling thermal properties is central to many applications, such as thermoelectric energy conversion and the thermal management of integrated circuits. Progress has been made over the past decade by structuring materials at different length scales, but a clear relationship between structure size and thermal properties remains to be established. The main challenge comes from the unknown intrinsic spectral distribution of energy among heat carriers. Here, we experimentally measure this spectral distribution by probing quasi-ballistic transport near nanostructured heaters down to 30 nm using ultrafast optical spectroscopy. Our approach allows us to quantify up to 95% of the total spectral contribution to thermal conductivity from all phonon modes. The measurement agrees well with multiscale and first-principles-based simulations. We further demonstrate the direct construction of mean free path distributions. Our results provide a new fundamental understanding of thermal transport and will enable materials design in a rational way to achieve high performance.

  3. Theory of Electron, Phonon and Spin Transport in Nanoscale Quantum Devices.

    PubMed

    Sadeghi, Hatef

    2018-06-21

    At the level of fundamental science, it was recently demonstrated that molecular wires can mediate long-range phase-coherent tunnelling with remarkably low attenuation over a few nanometre even at room temperature. Furthermore, a large mean free path has been observed in graphene and other graphene-like two-dimensional materials. These create the possibility of using quantum and phonon interference to engineer electron and phonon transport for wide range of applications such as molecular switches, sensors, piezoelectricity, thermoelectricity and thermal management. To understand transport properties of such devices, it is crucial to calculate their electronic and phononic transmission coefficients. The aim of this tutorial article is to review the state-of-art theoretical and mathematical techniques to treat electron, phonon and spin transport in nanoscale molecular junctions. This helps not only to explain new phenomenon observed experimentally but also provides a vital design tool to develop novel nanoscale quantum devices. © 2018 IOP Publishing Ltd.

  4. Evidence for thermally assisted threshold switching behavior in nanoscale phase-change memory cells

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Le Gallo, Manuel; Athmanathan, Aravinthan; Krebs, Daniel

    2016-01-14

    In spite of decades of research, the details of electrical transport in phase-change materials are still debated. In particular, the so-called threshold switching phenomenon that allows the current density to increase steeply when a sufficiently high voltage is applied is still not well understood, even though there is wide consensus that threshold switching is solely of electronic origin. However, the high thermal efficiency and fast thermal dynamics associated with nanoscale phase-change memory (PCM) devices motivate us to reassess a thermally assisted threshold switching mechanism, at least in these devices. The time/temperature dependence of the threshold switching voltage and current inmore » doped Ge{sub 2}Sb{sub 2}Te{sub 5} nanoscale PCM cells was measured over 6 decades in time at temperatures ranging from 40 °C to 160 °C. We observe a nearly constant threshold switching power across this wide range of operating conditions. We also measured the transient dynamics associated with threshold switching as a function of the applied voltage. By using a field- and temperature-dependent description of the electrical transport combined with a thermal feedback, quantitative agreement with experimental data of the threshold switching dynamics was obtained using realistic physical parameters.« less

  5. Transient in-plane thermal transport in nanofilms with internal heating

    PubMed Central

    Cao, Bing-Yang

    2016-01-01

    Wide applications of nanofilms in electronics necessitate an in-depth understanding of nanoscale thermal transport, which significantly deviates from Fourier's law. Great efforts have focused on the effective thermal conductivity under temperature difference, while it is still ambiguous whether the diffusion equation with an effective thermal conductivity can accurately characterize the nanoscale thermal transport with internal heating. In this work, transient in-plane thermal transport in nanofilms with internal heating is studied via Monte Carlo (MC) simulations in comparison to the heat diffusion model and mechanism analyses using Fourier transform. Phonon-boundary scattering leads to larger temperature rise and slower thermal response rate when compared with the heat diffusion model based on Fourier's law. The MC simulations are also compared with the diffusion model with effective thermal conductivity. In the first case of continuous internal heating, the diffusion model with effective thermal conductivity under-predicts the temperature rise by the MC simulations at the initial heating stage, while the deviation between them gradually decreases and vanishes with time. By contrast, for the one-pulse internal heating case, the diffusion model with effective thermal conductivity under-predicts both the peak temperature rise and the cooling rate, so the deviation can always exist. PMID:27118903

  6. Transient in-plane thermal transport in nanofilms with internal heating.

    PubMed

    Hua, Yu-Chao; Cao, Bing-Yang

    2016-02-01

    Wide applications of nanofilms in electronics necessitate an in-depth understanding of nanoscale thermal transport, which significantly deviates from Fourier's law. Great efforts have focused on the effective thermal conductivity under temperature difference, while it is still ambiguous whether the diffusion equation with an effective thermal conductivity can accurately characterize the nanoscale thermal transport with internal heating. In this work, transient in-plane thermal transport in nanofilms with internal heating is studied via Monte Carlo (MC) simulations in comparison to the heat diffusion model and mechanism analyses using Fourier transform. Phonon-boundary scattering leads to larger temperature rise and slower thermal response rate when compared with the heat diffusion model based on Fourier's law. The MC simulations are also compared with the diffusion model with effective thermal conductivity. In the first case of continuous internal heating, the diffusion model with effective thermal conductivity under-predicts the temperature rise by the MC simulations at the initial heating stage, while the deviation between them gradually decreases and vanishes with time. By contrast, for the one-pulse internal heating case, the diffusion model with effective thermal conductivity under-predicts both the peak temperature rise and the cooling rate, so the deviation can always exist.

  7. Thermal transport in suspended silicon membranes measured by laser-induced transient gratings

    DOE PAGES

    Vega-Flick, A.; Duncan, R. A.; Eliason, J. K.; ...

    2016-12-05

    Studying thermal transport at the nanoscale poses formidable experimental challenges due both to the physics of the measurement process and to the issues of accuracy and reproducibility. The laser-induced transient thermal grating (TTG) technique permits non-contact measurements on nanostructured samples without a need for metal heaters or any other extraneous structures, offering the advantage of inherently high absolute accuracy. We present a review of recent studies of thermal transport in nanoscale silicon membranes using the TTG technique. An overview of the methodology, including an analysis of measurements errors, is followed by a discussion of new findings obtained from measurements onmore » both “solid” and nanopatterned membranes. The most important results have been a direct observation of non-diffusive phonon-mediated transport at room temperature and measurements of thickness-dependent thermal conductivity of suspended membranes across a wide thickness range, showing good agreement with first-principles-based theory assuming diffuse scattering at the boundaries. Measurements on a membrane with a periodic pattern of nanosized holes (135nm) indicated fully diffusive transport and yielded thermal diffusivity values in agreement with Monte Carlo simulations. Based on the results obtained to-date, we conclude that room-temperature thermal transport in membrane-based silicon nanostructures is now reasonably well understood.« less

  8. Effects of Conformal Nanoscale Coatings on Thermal Performance of Vertically Aligned Carbon Nanotubes.

    PubMed

    Silvestri, Cinzia; Riccio, Michele; Poelma, René H; Jovic, Aleksandar; Morana, Bruno; Vollebregt, Sten; Irace, Andrea; Zhang, Guo Qi; Sarro, Pasqualina M

    2018-04-17

    The high aspect ratio and the porous nature of spatially oriented forest-like carbon nanotube (CNT) structures represent a unique opportunity to engineer a novel class of nanoscale assemblies. By combining CNTs and conformal coatings, a 3D lightweight scaffold with tailored behavior can be achieved. The effect of nanoscale coatings, aluminum oxide (Al 2 O 3 ) and nonstoichiometric amorphous silicon carbide (a-SiC), on the thermal transport efficiency of high aspect ratio vertically aligned CNTs, is reported herein. The thermal performance of the CNT-based nanostructure strongly depends on the achieved porosity, the coating material and its infiltration within the nanotube network. An unprecedented enhancement in terms of effective thermal conductivity in a-SiC coated CNTs has been obtained: 181% compared to the as-grown CNTs and Al 2 O 3 coated CNTs. Furthermore, the integration of coated high aspect ratio CNTs in an epoxy molding compound demonstrates that, next to the required thermal conductivity, the mechanical compliance for thermal interface applications can also be achieved through coating infiltration into foam-like CNT forests. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Reduction of Thermal Conductivity by Nanoscale 3D Phononic Crystal

    PubMed Central

    Yang, Lina; Yang, Nuo; Li, Baowen

    2013-01-01

    We studied how the period length and the mass ratio affect the thermal conductivity of isotopic nanoscale three-dimensional (3D) phononic crystal of Si. Simulation results by equilibrium molecular dynamics show isotopic nanoscale 3D phononic crystals can significantly reduce the thermal conductivity of bulk Si at high temperature (1000 K), which leads to a larger ZT than unity. The thermal conductivity decreases as the period length and mass ratio increases. The phonon dispersion curves show an obvious decrease of group velocities in 3D phononic crystals. The phonon's localization and band gap is also clearly observed in spectra of normalized inverse participation ratio in nanoscale 3D phononic crystal. PMID:23378898

  10. Method to determine thermal profiles of nanoscale circuitry

    DOEpatents

    Zettl, Alexander K; Begtrup, Gavi E

    2013-04-30

    A platform that can measure the thermal profiles of devices with nanoscale resolution has been developed. The system measures the local temperature by using an array of nanoscale thermometers. This process can be observed in real time using a high resolution imagining technique such as electron microscopy. The platform can operate at extremely high temperatures.

  11. Thermal analysis of continuous and patterned multilayer films in the presence of a nanoscale hot spot

    NASA Astrophysics Data System (ADS)

    Juang, Jia-Yang; Zheng, Jinglin

    2016-10-01

    Thermal responses of multilayer films play essential roles in state-of-the-art electronic systems, such as photo/micro-electronic devices, data storage systems, and silicon-on-insulator transistors. In this paper, we focus on the thermal aspects of multilayer films in the presence of a nanoscale hot spot induced by near field laser heating. The problem is set up in the scenario of heat assisted magnetic recording (HAMR), the next-generation technology to overcome the data storage density limit imposed by superparamagnetism. We characterized thermal responses of both continuous and patterned multilayer media films using transient thermal modeling. We observed that material configurations, in particular, the thermal barriers at the material layer interfaces crucially impact the temperature field hence play a key role in determining the hot spot geometry, transient response and power consumption. With a representative generic media model, we further explored the possibility of optimizing thermal performances by designing layers of heat sink and thermal barrier. The modeling approach demonstrates an effective way to characterize thermal behaviors of micro and nano-scale electronic devices with multilayer thin film structures. The insights into the thermal transport scheme will be critical for design and operations of such electronic devices.

  12. First principles Peierls-Boltzmann phonon thermal transport: A topical review

    DOE PAGES

    Lindsay, Lucas

    2016-08-05

    The advent of coupled thermal transport calculations with interatomic forces derived from density functional theory has ushered in a new era of fundamental microscopic insight into lattice thermal conductivity. Subsequently, significant new understanding of phonon transport behavior has been developed with these methods, and because they are parameter free and successfully benchmarked against a variety of systems, they also provide reliable predictions of thermal transport in systems for which little is known. This topical review will describe the foundation from which first principles Peierls-Boltzmann transport equation methods have been developed, and briefly describe important necessary ingredients for accurate calculations. Samplemore » highlights of reported work will be presented to illustrate the capabilities and challenges of these techniques, and to demonstrate the suite of tools available, with an emphasis on thermal transport in micro- and nano-scale systems. In conclusion, future challenges and opportunities will be discussed, drawing attention to prospects for methods development and applications.« less

  13. Significantly High Thermal Rectification in an Asymmetric Polymer Molecule Driven by Diffusive versus Ballistic Transport.

    PubMed

    Ma, Hao; Tian, Zhiting

    2018-01-10

    Tapered bottlebrush polymers have novel nanoscale polymer architecture. Using nonequilibrium molecular dynamics simulations, we showed that these polymers have the unique ability to generate thermal rectification in a single polymer molecule and offer an exceptional platform for unveiling different heat conduction regimes. In sharp contrast to all other reported asymmetric nanostructures, we observed that the heat current from the wide end to the narrow end (the forward direction) in tapered bottlebrush polymers is smaller than that in the opposite direction (the backward direction). We found that a more disordered to less disordered structural transition within tapered bottlebrush polymers is essential for generating nonlinearity in heat conduction for thermal rectification. Moreover, the thermal rectification ratio increased with device length, reaching as high as ∼70% with a device length of 28.5 nm. This large thermal rectification with strong length dependence uncovered an unprecedented phenomenon-diffusive thermal transport in the forward direction and ballistic thermal transport in the backward direction. This is the first observation of radically different transport mechanisms when heat flow direction changes in the same system. The fundamentally new knowledge gained from this study can guide exciting research into nanoscale organic thermal diodes.

  14. Atomistic Design and Simulations of Nanoscale Machines and Assembly

    NASA Technical Reports Server (NTRS)

    Goddard, William A., III; Cagin, Tahir; Walch, Stephen P.

    2000-01-01

    Over the three years of this project, we made significant progress on critical theoretical and computational issues in nanoscale science and technology, particularly in:(1) Fullerenes and nanotubes, (2) Characterization of surfaces of diamond and silicon for NEMS applications, (3) Nanoscale machine and assemblies, (4) Organic nanostructures and dendrimers, (5) Nanoscale confinement and nanotribology, (6) Dynamic response of nanoscale structures nanowires (metals, tubes, fullerenes), (7) Thermal transport in nanostructures.

  15. Nanoscale thermal imaging of dissipation in quantum systems

    NASA Astrophysics Data System (ADS)

    Halbertal, D.; Cuppens, J.; Shalom, M. Ben; Embon, L.; Shadmi, N.; Anahory, Y.; Naren, H. R.; Sarkar, J.; Uri, A.; Ronen, Y.; Myasoedov, Y.; Levitov, L. S.; Joselevich, E.; Geim, A. K.; Zeldov, E.

    2016-11-01

    Energy dissipation is a fundamental process governing the dynamics of physical, chemical and biological systems. It is also one of the main characteristics that distinguish quantum from classical phenomena. In particular, in condensed matter physics, scattering mechanisms, loss of quantum information or breakdown of topological protection are deeply rooted in the intricate details of how and where the dissipation occurs. Yet the microscopic behaviour of a system is usually not formulated in terms of dissipation because energy dissipation is not a readily measurable quantity on the micrometre scale. Although nanoscale thermometry has gained much recent interest, existing thermal imaging methods are not sensitive enough for the study of quantum systems and are also unsuitable for the low-temperature operation that is required. Here we report a nano-thermometer based on a superconducting quantum interference device with a diameter of less than 50 nanometres that resides at the apex of a sharp pipette: it provides scanning cryogenic thermal sensing that is four orders of magnitude more sensitive than previous devices—below 1 μK Hz-1/2. This non-contact, non-invasive thermometry allows thermal imaging of very low intensity, nanoscale energy dissipation down to the fundamental Landauer limit of 40 femtowatts for continuous readout of a single qubit at one gigahertz at 4.2 kelvin. These advances enable the observation of changes in dissipation due to single-electron charging of individual quantum dots in carbon nanotubes. They also reveal a dissipation mechanism attributable to resonant localized states in graphene encapsulated within hexagonal boron nitride, opening the door to direct thermal imaging of nanoscale dissipation processes in quantum matter.

  16. Thermal transport in Si and Ge nanostructures in the `confinement' regime

    NASA Astrophysics Data System (ADS)

    Kwon, Soonshin; Wingert, Matthew C.; Zheng, Jianlin; Xiang, Jie; Chen, Renkun

    2016-07-01

    Reducing semiconductor materials to sizes comparable to the characteristic lengths of phonons, such as the mean-free-path (MFP) and wavelength, has unveiled new physical phenomena and engineering capabilities for thermal energy management and conversion systems. These developments have been enabled by the increasing sophistication of chemical synthesis, microfabrication, and atomistic simulation techniques to understand the underlying mechanisms of phonon transport. Modifying thermal properties by scaling physical size is particularly effective for materials which have large phonon MFPs, such as crystalline Si and Ge. Through nanostructuring, materials that are traditionally good thermal conductors can become good candidates for applications requiring thermal insulation such as thermoelectrics. Precise understanding of nanoscale thermal transport in Si and Ge, the leading materials of the modern semiconductor industry, is increasingly important due to more stringent thermal conditions imposed by ever-increasing complexity and miniaturization of devices. Therefore this Minireview focuses on the recent theoretical and experimental developments related to reduced length effects on thermal transport of Si and Ge with varying size from hundreds to sub-10 nm ranges. Three thermal transport regimes - bulk-like, Casimir, and confinement - are emphasized to describe different governing mechanisms at corresponding length scales.

  17. Thermal transport in Si and Ge nanostructures in the 'confinement' regime.

    PubMed

    Kwon, Soonshin; Wingert, Matthew C; Zheng, Jianlin; Xiang, Jie; Chen, Renkun

    2016-07-21

    Reducing semiconductor materials to sizes comparable to the characteristic lengths of phonons, such as the mean-free-path (MFP) and wavelength, has unveiled new physical phenomena and engineering capabilities for thermal energy management and conversion systems. These developments have been enabled by the increasing sophistication of chemical synthesis, microfabrication, and atomistic simulation techniques to understand the underlying mechanisms of phonon transport. Modifying thermal properties by scaling physical size is particularly effective for materials which have large phonon MFPs, such as crystalline Si and Ge. Through nanostructuring, materials that are traditionally good thermal conductors can become good candidates for applications requiring thermal insulation such as thermoelectrics. Precise understanding of nanoscale thermal transport in Si and Ge, the leading materials of the modern semiconductor industry, is increasingly important due to more stringent thermal conditions imposed by ever-increasing complexity and miniaturization of devices. Therefore this Minireview focuses on the recent theoretical and experimental developments related to reduced length effects on thermal transport of Si and Ge with varying size from hundreds to sub-10 nm ranges. Three thermal transport regimes - bulk-like, Casimir, and confinement - are emphasized to describe different governing mechanisms at corresponding length scales.

  18. Analysis for Heat Transfer in a High Current-Passing Carbon Nanosphere Using Nontraditional Thermal Transport Model.

    PubMed

    Hol C Y; Chen, B C; Tsai, Y H; Ma, C; Wen, M Y

    2015-11-01

    This paper investigates the thermal transport in hollow microscale and nanoscale spheres subject to electrical heat source using nontraditional thermal transport model. Working as supercapacitor electrodes, carbon hollow micrometer- and nanometer-sized spheres needs excellent heat transfer characteristics to maintain high specific capacitance, long cycle life, and high power density. In the nanoscale regime, the prediction of heat transfer from the traditional heat conduction equation based on Fourier's law deviates from the measured data. Consequently, the electrical heat source-induced heat transfer characteristics in hollow micrometer- and nanometer-sized spheres are studied using nontraditional thermal transport model. The effects of parameters on heat transfer in the hollow micrometer- and nanometer-sized spheres are discussed in this study. The results reveal that the heat transferred into the spherical interior, temperature and heat flux in the hollow sphere decrease with the increasing Knudsen number when the radius of sphere is comparable to the mean free path of heat carriers.

  19. The impact of defect scattering on the quasi-ballistic transport of nanoscale conductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Esqueda, I. S., E-mail: isanchez@isi.edu; Fritze, M.; Cress, C. D.

    2015-02-28

    Using the Landauer approach for carrier transport, we analyze the impact of defects induced by ion irradiation on the transport properties of nanoscale conductors that operate in the quasi-ballistic regime. Degradation of conductance results from a reduction of carrier mean free path due to the introduction of defects in the conducting channel. We incorporate scattering mechanisms from radiation-induced defects into calculations of the transmission coefficient and present a technique for extracting modeling parameters from near-equilibrium transport measurements. These parameters are used to describe degradation in the transport properties of nanoscale devices using a formalism that is valid under quasi-ballistic operation.more » The analysis includes the effects of bandstructure and dimensionality on the impact of defect scattering and discusses transport properties of nanoscale devices from the diffusive to the ballistic limit. We compare calculations with recently published measurements of irradiated nanoscale devices such as single-walled carbon nanotubes, graphene, and deep-submicron Si metal-oxide-semiconductor field-effect transistors.« less

  20. Characterization of Nano-scale Aluminum Oxide Transport through Porous Media

    NASA Astrophysics Data System (ADS)

    Norwood, S.; Reynolds, M.; Miao, Z.; Brusseau, M. L.; Johnson, G. R.

    2011-12-01

    Colloidal material (including that in the nanoparticle size range) is naturally present in most subsurface environments. Mobilization of these colloidal materials via particle disaggregation may occur through abrupt changes in flow rate and/or via chemical perturbations, such as rapid changes in ionic strength or solution pH. While concentrations of natural colloidal materials in the subsurface are typically small, those concentrations may be greatly increased at contaminated sites such as following the application of metal oxides for groundwater remediation efforts. Additionally, while land application of biosolids has become common practice in the United States as an alternative to industrial fertilizers, biosolids have been shown to contain a significant fraction of organic and inorganic nano-scale colloidal materials such as oxides of iron, titanium, and aluminum. Given their reactivity and small size, there are many questions concerning the potential migration of nano-scale colloidal materials through the soil column and their potential participation in the facilitated transport of contaminants, such as heavy metals and emerging pollutants. The purpose of this study was to investigate the transport behavior of aluminum oxide (Al2O3) nanoparticles through porous media. The impacts of pH, ionic strength, pore-water velocity (i.e., residence time), and aqueous-phase concentration on transport was investigated. All experiments were conducted with large injection pulses to fully characterize the impact of long-term retention and transport behavior relevant for natural systems wherein multiple retention processes may be operative. The results indicate that the observed nonideal transport behavior of the nano-scale colloids is influenced by multiple retention mechanisms/processes. Given the ubiquitous nature of these nano-scale colloids in the environment, a clear understanding of their transport and fate is necessary in further resolving the potential for

  1. Residual stress within nanoscale metallic multilayer systems during thermal cycling

    DOE PAGES

    Economy, David Ross; Cordill, Megan Jo; Payzant, E. Andrew; ...

    2015-09-21

    Projected applications for nanoscale metallic multilayers will include wide temperature ranges. Since film residual stress has been known to alter system reliability, stress development within new film structures with high interfacial densities should be characterized to identify potential long-term performance barriers. To understand factors contributing to thermal stress evolution within nanoscale metallic multilayers, stress in Cu/Nb systems adhered to Si substrates was calculated from curvature measurements collected during cycling between 25 °C and 400 °C. Additionally, stress within each type of component layers was calculated from shifts in the primary peak position from in-situ heated X-ray diffraction. The effects ofmore » both film architecture (layer thickness) and layer order in metallic multilayers were tracked and compared with monolithic Cu and Nb films. Analysis indicated that the thermoelastic slope of nanoscale metallic multilayer films depends on thermal expansion mismatch, elastic modulus of the components, and also interfacial density. The layer thickness (i.e. interfacial density) affected thermoelastic slope magnitude while layer order had minimal impact on stress responses after the initial thermal cycle. When comparing stress responses of monolithic Cu and Nb films to those of the Cu/Nb systems, the nanoscale metallic multilayers show a similar increase in stress above 200 °C to the Nb monolithic films, indicating that Nb components play a larger role in stress development than Cu. Local stress calculations from X-ray diffraction peak shifts collected during heating reveal that the component layers within a multilayer film respond similarly to their monolithic counterparts.« less

  2. Imaging thermal conductivity with nanoscale resolution using a scanning spin probe

    DOE PAGES

    Laraoui, Abdelghani; Aycock-Rizzo, Halley; Gao, Yang; ...

    2015-11-20

    The ability to probe nanoscale heat flow in a material is often limited by lack of spatial resolution. Here, we use a diamond-nanocrystal-hosted nitrogen-vacancy centre attached to the apex of a silicon thermal tip as a local temperature sensor. We apply an electrical current to heat up the tip and rely on the nitrogen vacancy to monitor the thermal changes the tip experiences as it is brought into contact with surfaces of varying thermal conductivity. By combining atomic force and confocal microscopy, we image phantom microstructures with nanoscale resolution, and attain excellent agreement between the thermal conductivity and topographic maps.more » The small mass and high thermal conductivity of the diamond host make the time response of our technique short, which we demonstrate by monitoring the tip temperature upon application of a heat pulse. Our approach promises multiple applications, from the investigation of phonon dynamics in nanostructures to the characterization of heterogeneous phase transitions and chemical reactions in various solid-state systems.« less

  3. Facile Fabrication of Binary Nanoscale Interface for No-Loss Microdroplet Transportation.

    PubMed

    Liang, Weitao; Zhu, Liqun; Li, Weiping; Xu, Chang; Liu, Huicong

    2016-06-07

    Binary nanoscale interfacial materials are fundamental issues in many applications for smart surfaces. A binary nanoscale interface with binary surface morphology and binary wetting behaviors has been prepared by a facile wet-chemical method. The prepared surface presents superhydrophobicity and high adhesion with the droplet at the same time. The composition, surface morphology, and wetting behaviors of the prepared surface have been systematic studied. The special wetting behaviors can be contributed to the binary nanoscale effect. The stability of the prepared surface was also investigated. As a primary application, a facile device based on the prepared binary nanoscale interface with superhydrophobicity and high adhesion was constructed for microdroplet transportation.

  4. Thermal transport in binary colloidal glasses: Composition dependence and percolation assessment

    NASA Astrophysics Data System (ADS)

    Ruckdeschel, Pia; Philipp, Alexandra; Kopera, Bernd A. F.; Bitterlich, Flora; Dulle, Martin; Pech-May, Nelson W.; Retsch, Markus

    2018-02-01

    The combination of various types of materials is often used to create superior composites that outperform the pure phase components. For any rational design, the thermal conductivity of the composite as a function of the volume fraction of the filler component needs to be known. When approaching the nanoscale, the homogeneous mixture of various components poses an additional challenge. Here, we investigate binary nanocomposite materials based on polymer latex beads and hollow silica nanoparticles. These form randomly mixed colloidal glasses on a sub-μ m scale. We focus on the heat transport properties through such binary assembly structures. The thermal conductivity can be well described by the effective medium theory. However, film formation of the soft polymer component leads to phase segregation and a mismatch between existing mixing models. We confirm our experimental data by finite element modeling. This additionally allowed us to assess the onset of thermal transport percolation in such random particulate structures. Our study contributes to a better understanding of thermal transport through heterostructured particulate assemblies.

  5. Nanoscale Probing of Thermal, Stress, and Optical Fields under Near-Field Laser Heating

    PubMed Central

    Tang, Xiaoduan; Xu, Shen; Wang, Xinwei

    2013-01-01

    Micro/nanoparticle induced near-field laser ultra-focusing and heating has been widely used in laser-assisted nanopatterning and nanolithography to pattern nanoscale features on a large-area substrate. Knowledge of the temperature and stress in the nanoscale near-field heating region is critical for process control and optimization. At present, probing of the nanoscale temperature, stress, and optical fields remains a great challenge since the heating area is very small (∼100 nm or less) and not immediately accessible for sensing. In this work, we report the first experimental study on nanoscale mapping of particle-induced thermal, stress, and optical fields by using a single laser for both near-field excitation and Raman probing. The mapping results based on Raman intensity variation, wavenumber shift, and linewidth broadening all give consistent conjugated thermal, stress, and near-field focusing effects at a 20 nm resolution (<λ/26, λ = 32 nm). Nanoscale mapping of near-field effects of particles from 1210 down to 160 nm demonstrates the strong capacity of such a technique. By developing a new strategy for physical analysis, we have de-conjugated the effects of temperature, stress, and near-field focusing from the Raman mapping. The temperature rise and stress in the nanoscale heating region is evaluated at different energy levels. High-fidelity electromagnetic and temperature field simulation is conducted to accurately interpret the experimental results. PMID:23555566

  6. Near-Field Thermal Coupling of a Nanoscale Interface and QED Kapitza Conductance of Nano-Carbon Thermal Interconnect Materials

    DTIC Science & Technology

    2015-10-26

    Conductance  in Nanocarbon Thermal Interconnects", in Proceedings of Workshop on Innovative Nanoscale  Devices and Systems, Eds.  Koji  Ishibashi, Stephen M...Workshop on Innovative Nanoscale  Devices and Systems, Eds. Viktor Sverdlov, Berry Jonker, Siegfried Selberherr,  Koji  Ishibashi,  Stephen M. Goodnick...Proceedings of Workshop on Innovative Nanoscale Devices and Systems, Eds. Koji Ishibashi, Stephen M. Goodnick, Siegfried Selberherr, Akira Fujiwara (12/2-7

  7. A Review of Tunable Wavelength Selectivity of Metamaterials in Near-Field and Far-Field Radiative Thermal Transport

    PubMed Central

    Tian, Yanpei; Ricci, Matt; Hyde, Mikhail; Gregory, Otto; Zheng, Yi

    2018-01-01

    Radiative thermal transport of metamaterials has begun to play a significant role in thermal science and has great engineering applications. When the key features of structures become comparable to the thermal wavelength at a particular temperature, a narrowband or wideband of wavelengths can be created or shifted in both the emission and reflection spectrum of nanoscale metamaterials. Due to the near-field effect, the phenomena of radiative wavelength selectivity become significant. These effects show strong promise for applications in thermophotovoltaic energy harvesting, nanoscale biosensing, and increased energy efficiency through radiative cooling in the near future. This review paper summarizes the recent progress and outlook of both near-field and far-field radiative heat transfer, different design structures of metamaterials, applications of unique thermal and optical properties, and focuses especially on exploration of the tunable radiative wavelength selectivity of nano-metamaterials. PMID:29786650

  8. Voltage tunability of thermal conductivity in ferroelectric materials

    DOEpatents

    Ihlefeld, Jon; Hopkins, Patrick Edward

    2016-02-09

    A method to control thermal energy transport uses mobile coherent interfaces in nanoscale ferroelectric films to scatter phonons. The thermal conductivity can be actively tuned, simply by applying an electrical potential across the ferroelectric material and thereby altering the density of these coherent boundaries to directly impact thermal transport at room temperature and above. The invention eliminates the necessity of using moving components or poor efficiency methods to control heat transfer, enabling a means of thermal energy control at the micro- and nano-scales.

  9. Modeling Self-Heating Effects in Nanoscale Devices

    NASA Astrophysics Data System (ADS)

    Raleva, K.; Shaik, A. R.; Vasileska, D.; Goodnick, S. M.

    2017-08-01

    Accurate thermal modeling and the design of microelectronic devices and thin film structures at the micro- and nanoscales poses a challenge to electrical engineers who are less familiar with the basic concepts and ideas in sub-continuum heat transport. This book aims to bridge that gap. Efficient heat removal methods are necessary to increase device performance and device reliability. The authors provide readers with a combination of nanoscale experimental techniques and accurate modeling methods that must be employed in order to determine a device's temperature profile.

  10. Electronic and thermal transport study of sinusoidally corrugated nanowires aiming to improve thermoelectric efficiency.

    PubMed

    Park, K H; Martin, P N; Ravaioli, U

    2016-01-22

    Improvement of thermoelectric efficiency has been very challenging in the solid-state industry due to the interplay among transport coefficients which measure the efficiency. In this work, we modulate the geometry of nanowires to interrupt thermal transport with causing only a minimal impact on electronic transport properties, thereby maximizing the thermoelectric power generation. As it is essential to scrutinize comprehensively both electronic and thermal transport behaviors for nano-scale thermoelectric devices, we investigate the Seebeck coefficient, the electrical conductance, and the thermal conductivity of sinusoidally corrugated silicon nanowires and eventually look into an enhancement of the thermoelectric figure-of-merit [Formula: see text] from the modulated nanowires over typical straight nanowires. A loss in the electronic transport coefficient is calculated with the recursive Green function along with the Landauer formalism, and the thermal transport is simulated with the molecular dynamics. In contrast to a small influence on the thermopower and the electrical conductance of the geometry-modulated nanowires, a large reduction of the thermal conductivity yields an enhancement of the efficiency by 10% to 35% from the typical nanowires. We find that this approach can be easily extended to various structures and materials as we consider the geometrical modulation as a sole source of perturbation to the system.

  11. Carrier interactions and porosity initiated reversal of temperature dependence of thermal conduction in nanoscale tin films

    NASA Astrophysics Data System (ADS)

    Kaul, Pankaj B.; Prakash, Vikas

    2014-01-01

    Recently, tin has been identified as an attractive electrode material for energy storage/conversion technologies. Tin thin films have also been utilized as an important constituent of thermal interface materials in thermal management applications. In this regards, in the present paper, we investigate thermal conductivity of two nanoscale tin films, (i) with thickness 500 ± 50 nm and 0.45% porosity and (ii) with thickness 100 ± 20 nm and 12.21% porosity. Thermal transport in these films is characterized over the temperature range from 40 K-310 K, using a three-omega method for multilayer configurations. The experimental results are compared with analytical predictions obtained by considering both phonon and electron contributions to heat conduction as described by existing frequency-dependent phenomenological models and BvK dispersion for phonons. The thermal conductivity of the thicker tin film (500 nm) is measured to be 46.2 W/m-K at 300 K and is observed to increase with reduced temperatures; the mechanisms for thermal transport are understood to be governed by strong phonon-electron interactions in addition to the normal phonon-phonon interactions within the temperature range 160 K-300 K. In the case of the tin thin film with 100 nm thickness, porosity and electron-boundary scattering supersede carrier interactions, and a reversal in the thermal conductivity trend with reduced temperatures is observed; the thermal conductivity falls to 1.83 W/m-K at 40 K from its room temperature value of 36.1 W/m-K. In order to interpret the experimental results, we utilize the existing analytical models that account for contributions of electron-boundary scattering using the Mayadas-Shatzkes and Fuchs-Sondheimer models for the thin and thick films, respectively. Moreover, the effects of porosity on carrier transport are included using a previous treatment based on phonon radiative transport involving frequency-dependent mean free paths and the morphology of the nanoporous

  12. Interface-based two-way tuning of the in-plane thermal transport in nanofilms

    NASA Astrophysics Data System (ADS)

    Hua, Yu-Chao; Cao, Bing-Yang

    2018-03-01

    Here, the two-way tuning of in-plane thermal transport is obtained in the bi-layer nanofilms with an interfacial effect by using the Boltzmann transport equation (BTE) and the phonon Monte Carlo (MC) technique. A thermal conductivity model was derived from the BTE and verified by the MC simulations. Both the model and the MC simulations indicate that the tuning of the thermal transport can be bidirectional (reduced or enhanced), depending on the interface conditions (i.e., roughness and adhesion energy) and the phonon property dissimilarity at the interface. For the identical-material interface, the emergence of thermal conductivity variation requires two conditions: (a) the interface is not completely specular and (b) the transmission specularity parameter differs from the reflection specularity parameter at the interface. When the transmission specularity parameter is larger than the reflection specularity parameter at the interface, the thermal conductivity improvement effect emerges, whereas the thermal conductivity reduction effect occurs. For the disparate-material interface, the phonon property perturbation near the interface causes the thermal conductivity variation, even when neither the above two conditions are satisfied. The mean free path ratio (γ) between the disparate materials was defined to characterize the phonon property dissimilarity. γ > 1 can lead to the thermal conductivity improvement effect, while γ < 1 corresponds to the thermal conductivity reduction effect. Our work provides a more in-depth understanding of the interfacial effect on the nanoscale thermal transport, with an applicable predictive model, which can be helpful for predicting and manipulating phonon transport in nanofilms.

  13. Spatial Manipulation of Heat Flow by Surface Boundaries at the Nanoscale

    NASA Astrophysics Data System (ADS)

    Malhotra, Abhinav; Maldovan, Martin

    The precise manipulation of phonon transport properties is central to controlling thermal transport in semiconductor nanostructures. The physical understanding, prediction, and control of thermal phonon heat spectra and thermal conductivity accumulation functions - which establish the proportion of heat transported by phonons with different frequencies and mean-free-paths - has attracted significant attention in recent years. In this talk, we advance the possibilities of manipulating heat by spatially modulating thermal transport in nanostructures. We show that phonon scattering at interfaces impacts the most preferred physical pathway used by heat energy flow in thermal transport in nanostructures. The role of introducing boundaries with different surface conditions on resultant thermal flux is presented and methodologies to enhance these spatial modulations are discussed. This talk aims to advance the fundamental understanding on the nature of heat transport at nanoscale with potential applications in multiple research areas ranging from energy materials to optoelectronics.

  14. Localized Symmetry Breaking for Tuning Thermal Expansion in ScF 3 Nanoscale Frameworks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hu, Lei; Qin, Feiyu; Sanson, Andrea

    The local symmetry, beyond the averaged crystallographic structure, tends to bring unu-sual performances. Negative thermal expansion is a peculiar physical property of solids. Here, we report the delicate design of the localized symmetry breaking to achieve the controllable thermal expansion in ScF3 nano-scale frameworks. Intriguingly, an isotropic zero thermal expansion is concurrently engi-neered by localized symmetry breaking, with a remarkably low coefficient of thermal expansion of about +4.0×10-8/K up to 675K. This mechanism is investigated by the joint analysis of atomic pair dis-tribution function of synchrotron X-ray total scattering and extended X-ray absorption fine structure spectra. A localized rhombohedral distortionmore » presumably plays a critical role in stiffening ScF3 nano-scale frameworks and concomitantly suppressing transverse thermal vibrations of fluorine atoms. This physical scenario is also theoretically corroborated by the extinction of phonon modes with negative Grüneisen parameters in the rhombohedral ScF3. The present work opens an untraditional chemical modification to achieve controllable thermal expansion by breaking local symmetries of materials.« less

  15. Controlled propulsion and separation of helical particles at the nanoscale.

    PubMed

    Alcanzare, Maria Michiko T; Thakore, Vaibhav; Ollila, Santtu T T; Karttunen, Mikko; Ala-Nissila, Tapio

    2017-03-15

    Controlling the motion of nano and microscale objects in a fluid environment is a key factor in designing optimized tiny machines that perform mechanical tasks such as transport of drugs or genetic material in cells, fluid mixing to accelerate chemical reactions, and cargo transport in microfluidic chips. Directed motion is made possible by the coupled translational and rotational motion of asymmetric particles. A current challenge in achieving directed and controlled motion at the nanoscale lies in overcoming random Brownian motion due to thermal fluctuations in the fluid. We use a hybrid lattice-Boltzmann molecular dynamics method with full hydrodynamic interactions and thermal fluctuations to demonstrate that controlled propulsion of individual nanohelices in an aqueous environment is possible. We optimize the propulsion velocity and the efficiency of externally driven nanohelices. We quantify the importance of the thermal effects on the directed motion by calculating the Péclet number for various shapes, number of turns and pitch lengths of the helices. Consistent with the experimental microscale separation of chiral objects, our results indicate that in the presence of thermal fluctuations at Péclet numbers >10, chiral particles follow the direction of propagation according to its handedness and the direction of the applied torque making separation of chiral particles possible at the nanoscale. Our results provide criteria for the design and control of helical machines at the nanoscale.

  16. Impacts of doping on thermal and thermoelectric properties of nanomaterials.

    PubMed

    Zhang, Gang; Li, Baowen

    2010-07-01

    Thermal transport in nanoscale structures has attracted an increasing interest in the last two decades. On the one hand, the low dimensional nanostructured materials are platforms for testing novel phonon transport theories. On the other hand, nanomaterials are promising candidates for nanoscale on-chip coolers. This review is focused on the thermal conductance, thermoelectric property, and impacts of doping on these properties.

  17. Nanoscale characterization of the thermal interface resistance of a heat-sink composite material by in situ TEM.

    PubMed

    Kawamoto, Naoyuki; Kakefuda, Yohei; Mori, Takao; Hirose, Kenji; Mitome, Masanori; Bando, Yoshio; Golberg, Dmitri

    2015-11-20

    We developed an original method of in situ nanoscale characterization of thermal resistance utilizing a high-resolution transmission electron microscope (HRTEM). The focused electron beam of the HRTEM was used as a contact-free heat source and a piezo-movable nanothermocouple was developed as a thermal detector. This method has a high flexibility of supplying thermal-flux directions for nano/microscale thermal conductivity analysis, and is a powerful way to probe the thermal properties of complex or composite materials. Using this method we performed reproducible measurements of electron beam-induced temperature changes in pre-selected sections of a heat-sink α-Al(2)O(3)/epoxy-based resin composite. Observed linear behavior of the temperature change in a filler reveals that Fourier's law holds even at such a mesoscopic scale. In addition, we successfully determined the thermal resistance of the nanoscale interfaces between neighboring α-Al(2)O(3) fillers to be 1.16 × 10(-8) m(2)K W(-1), which is 35 times larger than that of the fillers themselves. This method that we have discovered enables evaluation of thermal resistivity of composites on the nanoscale, combined with the ultimate spatial localization and resolution sample analysis capabilities that TEM entails.

  18. Partitioned airs at microscale and nanoscale: thermal diffusivity in ultrahigh porosity solids of nanocellulose

    PubMed Central

    Sakai, Koh; Kobayashi, Yuri; Saito, Tsuguyuki; Isogai, Akira

    2016-01-01

    High porosity solids, such as plastic foams and aerogels, are thermally insulating. Their insulation performance strongly depends on their pore structure, which dictates the heat transfer process in the material. Understanding such a relationship is essential to realizing highly efficient thermal insulators. Herein, we compare the heat transfer properties of foams and aerogels that have very high porosities (97.3–99.7%) and an identical composition (nanocellulose). The foams feature rather closed, microscale pores formed with a thin film-like solid phase, whereas the aerogels feature nanoscale open pores formed with a nanofibrous network-like solid skeleton. Unlike the aerogel samples, the thermal diffusivity of the foam decreases considerably with a slight increase in the solid fraction. The results indicate that for suppressing the thermal diffusion of air within high porosity solids, creating microscale spaces with distinct partitions is more effective than directly blocking the free path of air molecules at the nanoscale. PMID:26830144

  19. Some critical issues in the characterization of nanoscale thermal conductivity by molecular dynamics analysis

    NASA Astrophysics Data System (ADS)

    Ehsan Khaled, Mohammad; Zhang, Liangchi; Liu, Weidong

    2018-07-01

    The nanoscale thermal conductivity of a material can be significantly different from its value at the macroscale. Although a number of studies using the equilibrium molecular dynamics (EMD) with Green–Kubo (GK) formula have been conducted for nano-conductivity predictions, there are many problems in the analysis that have made the EMD results unreliable or misleading. This paper aims to clarify such critical issues through a thorough investigation on the effect and determination of the vital physical variables in the EMD-GK analysis, using the prediction of the nanoscale thermal conductivity of Si as an example. The study concluded that to have a reliable prediction, quantum correction, time step, simulation time, correlation time and system size are all crucial.

  20. Thermophysical properties study of micro/nanoscale materials

    NASA Astrophysics Data System (ADS)

    Feng, Xuhui

    Thermal transport in low-dimensional structure has attracted tremendous attentions because micro/nanoscale materials play crucial roles in advancing micro/nanoelectronics industry. The thermal properties are essential for understanding of the energy conversion and thermal management. To better investigate micro/nanoscale materials and characterize the thermal transport, pulse laser-assisted thermal relaxation 2 (PLTR2) and transient electrothermal (TET) are both employed to determine thermal property of various forms of materials, including thin films and nanowires. As conducting polymer, Poly(3-hexylthiophene) (P3HT) thin film is studied to understand its thermal properties variation with P3HT weight percentage. 4 P3HT solutions of different weight percentages are compounded to fabricate thin films using spin-coating technique. Experimental results indicate that weight percentage exhibits impact on thermophysical properties. When percentage changes from 2% to 7%, thermal conductivity varies from 1.29 to 1.67 W/m·K and thermal diffusivity decreases from 10-6 to 5×10-7 m2/s. Moreover, PLTR2 technique is applied to characterize the three-dimensional anisotropic thermal properties in spin-coated P3HT thin films. Raman spectra verify that the thin films embrace partially orientated P3HT molecular chains, leading to anisotropic thermal transport. Among all three directions, lowest thermal property is observed along out-of-plane direction. For in-plane characterization, anisotropic ratio is around 2 to 3, indicating that the orientation of the molecular chains has strong impact on the thermal transport along different directions. Titanium dioxide (TiO2) thin film is synthesized by electrospinning features porous structure composed by TiO2 nanowires with random orientations. The porous structure caused significant degradation of thermal properties. Effective thermal diffusivity, conductivity, and density of the films are 1.35˜3.52 × 10-6 m2/s, 0.06˜0.36 W/m·K, and

  1. Charge transport in nanoscale junctions.

    PubMed

    Albrecht, Tim; Kornyshev, Alexei; Bjørnholm, Thomas

    2008-09-03

    Understanding the fundamentals of nanoscale charge transfer is pivotal for designing future nano-electronic devices. Such devices could be based on individual or groups of molecular bridges, nanotubes, nanoparticles, biomolecules and other 'active' components, mimicking wire, diode and transistor functions. These have operated in various environments including vacuum, air and condensed matter, in two- or three-electrode configurations, at ultra-low and room temperatures. Interest in charge transport in ultra-small device components has a long history and can be dated back to Aviram and Ratner's letter in 1974 (Chem. Phys. Lett. 29 277-83). So why is there a necessity for a special issue on this subject? The area has reached some degree of maturity, and even subtle geometric effects in the nanojunction and noise features can now be resolved and rationalized based on existing theoretical concepts. One purpose of this special issue is thus to showcase various aspects of nanoscale and single-molecule charge transport from experimental and theoretical perspectives. The main principles have 'crystallized' in our minds, but there is still a long way to go before true single-molecule electronics can be implemented. Major obstacles include the stability of electronic nanojunctions, reliable operation at room temperature, speed of operation and, last but not least, integration into large networks. A gradual transition from traditional silicon-based electronics to devices involving a single (or a few) molecule(s) therefore appears to be more viable from technologic and economic perspectives than a 'quantum leap'. As research in this area progresses, new applications emerge, e.g. with a view to characterizing interfacial charge transfer at the single-molecule level in general. For example, electrochemical experiments with individual enzyme molecules demonstrate that catalytic processes can be studied with nanometre resolution, offering a route towards optimizing biosensors at

  2. Picowatt Resolution Calorimetry for Micro and Nanoscale Energy Transport Studies

    NASA Astrophysics Data System (ADS)

    Sadat, Seid H.

    Precise quantification of energy transport is key to obtaining insights into a wide range of phenomena across various disciplines including physics, chemistry, biology and engineering. This thesis describes technical advancements into heat-flow calorimetry which enable measurement of energy transport at micro and nanoscales with picowatt resolution. I have developed two types of microfabricated calorimeter devices and demonstrated single digit picowatt resolution at room temperature. Both devices incorporate two distinct features; an active area isolated by a thermal conductance (GTh) of less than 1 microW/K and a high resolution thermometer with temperature resolution (DeltaTres) in the micro kelvin regime. These features enable measurements of heat currents (q) with picowatt resolution (q= Th xDeltaTres). In the first device the active area is suspended via silicon nitride beams with excellent thermal isolation (~600 nW/K) and a bimaterial cantilever (BMC) thermometer with temperature resolution of ~6 microK. Taken together this design enabled calorimetric measurements with 4 pW resolution. In the second device, the BMC thermometry technique is replaced by a high-resolution resistance thermometry scheme. A detailed noise analysis of resistance thermometers, confirmed by experimental data, enabled me to correctly predict the resolution of different measurement schemes and propose techniques to achieve an order of magnitude improvement in the resolution of resistive thermometers. By incorporating resistance thermometers with temperature resolution of ~30 microK, combined with a thermal isolation of ~150 nW/K, I demonstrated an all-electrical calorimeter device with a resolution of ~ 5 pW. Finally, I used these calorimeters to study Near-Field Radiative Heat Transfer (NF-RHT). Using these devices, we studied--for the first time--the effect of film thickness on the NF-RHT between two dielectric surfaces. We showed that even a very thin film (~50 nm) of silicon

  3. Nanoscale Inhomogeneous Superconductivity in Fe(Te1-xSex) Probed by Nanostructure Transport.

    PubMed

    Yue, Chunlei; Hu, Jin; Liu, Xue; Sanchez, Ana M; Mao, Zhiqiang; Wei, Jiang

    2016-01-26

    Among iron-based superconductors, the layered iron chalcogenide Fe(Te1-xSex) is structurally the simplest and has attracted considerable attention. It has been speculated from bulk studies that nanoscale inhomogeneous superconductivity may inherently exist in this system. However, this has not been directly observed from nanoscale transport measurements. In this work, through simple micromechanical exfoliation and high-precision low-energy ion milling thinning, we prepared Fe(Te0.5Se0.5) nanoflakes with various thicknesses and systematically studied the correlation between the thickness and superconducting phase transition. Our result revealed a systematic thickness-dependent evolution of superconducting transition. When the thickness of the Fe(Te0.5Se0.5) flake is reduced to less than the characteristic inhomogeneity length (around 12 nm), both the superconducting current path and the metallicity of the normal state in Fe(Te0.5Se0.5) atomic sheets are suppressed. This observation provides the first transport evidence for the nanoscale inhomogeneous nature of superconductivity in Fe(Te1-xSex).

  4. Experimental Study of Electron and Phonon Dynamics in Nanoscale Materials by Ultrafast Laser Time-Domain Spectroscopy

    NASA Astrophysics Data System (ADS)

    Shen, Xiaohan

    With the rapid advances in the development of nanotechnology, nowadays, the sizes of elementary unit, i.e. transistor, of micro- and nanoelectronic devices are well deep into nanoscale. For the pursuit of cheaper and faster nanoscale electronic devices, the size of transistors keeps scaling down. As the miniaturization of the nanoelectronic devices, the electrical resistivity increases dramatically, resulting rapid growth in the heat generation. The heat generation and limited thermal dissipation in nanoscale materials have become a critical problem in the development of the next generation nanoelectronic devices. Copper (Cu) is widely used conducting material in nanoelectronic devices, and the electron-phonon scattering is the dominant contributor to the resistivity in Cu nanowires at room temperature. Meanwhile, phonons are the main carriers of heat in insulators, intrinsic and lightly doped semiconductors. The thermal transport is an ensemble of phonon transport, which strongly depends on the phonon frequency. In addition, the phonon transport in nanoscale materials can behave fundamentally different than in bulk materials, because of the spatial confinement. However, the size effect on electron-phonon scattering and frequency dependent phonon transport in nanoscale materials remain largely unexplored, due to the lack of suitable experimental techniques. This thesis is mainly focusing on the study of carrier dynamics and acoustic phonon transport in nanoscale materials. The weak photothermal interaction in Cu makes thermoreflectance measurement difficult, we rather measured the reflectivity change of Cu induced by absorption variation. We have developed a method to separately measure the processes of electron-electron scattering and electron-phonon scattering in epitaxial Cu films by monitoring the transient reflectivity signal using the resonant probe with particular wavelengths. The enhancement on electron-phonon scattering in epitaxial Cu films with thickness

  5. Impact of isotopic disorders on thermal transport properties of nanotubes and nanowires

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sun, Tao; Kang, Wei; Wang, Jianxiang, E-mail: jxwang@pku.edu.cn

    2015-01-21

    We present a one-dimensional lattice model to describe thermal transport in isotopically doped nanotubes and nanowires. The thermal conductivities thus predicted, as a function of isotopic concentration, agree well with recent experiments and other simulations. Our results display that for any given concentration of isotopic atoms in a lattice without sharp atomic interfaces, the maximum thermal conductivity is attained when isotopic atoms are placed regularly with an equal space, whereas the minimum is achieved when they are randomly inserted with a uniform distribution. Non-uniformity of disorder can further tune the thermal conductivity between the two values. Moreover, the dependence ofmore » the thermal conductivity on the nanoscale feature size becomes weak at low temperature when disorder exists. In addition, when self-consistent thermal reservoirs are included to describe diffusive nanomaterials, the thermal conductivities predicted by our model are in line with the results of macroscopic theories with an interfacial effect. Our results suggest that the disorder provides an additional freedom to tune the thermal properties of nanomaterials in many technological applications including nanoelectronics, solid-state lighting, energy conservation, and conversion.« less

  6. Spin-dependent heat transport and thermal boundary resistance

    NASA Astrophysics Data System (ADS)

    Jeong, Taehee

    In this thesis, thermal conductivity change depending on the magnetic configurations has been studied. In order to make different magnetic configurations, we developed a spin valve structure, which has high MR ratio and low saturation field. The high MR ratio was achieved using Co/Cu multilayer and 21A or 34A thick Cu layer. The low saturation field was obtained by implementing different coercivities of the successive ferromagnetic layers. For this purpose, Co/Cu/Cu tri-layered structure was used with the thicknesses of the Co layers; 15 A and 30 A. For the thermal conductivity measurement, a three-omega method was employed with a thermally isolated microscale rod. We fabricated the microscale rod using optical lithography and MEMS process. Then the rod was wire-bonded to a chip-carver for further electrical measurement. For the thermal conductivity measurement, we built the three-omega measurement system using two lock-in amplifiers and two differential amplifiers. A custom-made electromagnet was added to the system to investigate the impact of magnetic field. We observed titanic thermal conductivity change depending on the magnetic configurations of the Co/Cu/Co multilayer. The thermal conductivity change was closely correlated with that of the electric conductivity in terms of the spin orientation, but the thermal conductivity was much more sensitive than that of the electric conductivity. The relative thermal conductivity change was 50% meanwhile that of electric resistivity change was 8.0%. The difference between the two ratios suggests that the scattering mechanism for charge and heat transport in the Co/Cu/Co multilayer is different. The Lorentz number in Weidemann-Franz law is also spin-dependent. Thermal boundary resistance between metal and dielectrics was also studied in this thesis. The thermal boundary resistance becomes critical for heat transport in a nanoscale because the thermal boundary resistance can potentially determine overall heat transport

  7. History-dependent ion transport through conical nanopipettes and the implications in energy conversion dynamics at nanoscale interfaces.

    PubMed

    Li, Yan; Wang, Dengchao; Kvetny, Maksim M; Brown, Warren; Liu, Juan; Wang, Gangli

    2015-01-01

    The dynamics of ion transport at nanostructured substrate-solution interfaces play vital roles in high-density energy conversion, stochastic chemical sensing and biosensing, membrane separation, nanofluidics and fundamental nanoelectrochemistry. Further advancements in these applications require a fundamental understanding of ion transport at nanoscale interfaces. The understanding of the dynamic or transient transport, and the key physical process involved, is limited, which contrasts sharply with widely studied steady-state ion transport features at atomic and nanometer scale interfaces. Here we report striking time-dependent ion transport characteristics at nanoscale interfaces in current-potential ( I - V ) measurements and theoretical analyses. First, a unique non-zero I - V cross-point and pinched I - V curves are established as signatures to characterize the dynamics of ion transport through individual conical nanopipettes. Second, ion transport against a concentration gradient is regulated by applied and surface electrical fields. The concept of ion pumping or separation is demonstrated via the selective ion transport against concentration gradients through individual nanopipettes. Third, this dynamic ion transport process under a predefined salinity gradient is discussed in the context of nanoscale energy conversion in supercapacitor type charging-discharging, as well as chemical and electrical energy conversion. The analysis of the emerging current-potential features establishes the urgently needed physical foundation for energy conversion employing ordered nanostructures. The elucidated mechanism and established methodology can be generalized into broadly-defined nanoporous materials and devices for improved energy, separation and sensing applications.

  8. History-dependent ion transport through conical nanopipettes and the implications in energy conversion dynamics at nanoscale interfaces

    DOE PAGES

    Li, Yan; Wang, Dengchao; Kvetny, Maksim M.; ...

    2014-08-20

    The dynamics of ion transport at nanostructured substrate–solution interfaces play vital roles in high-density energy conversion, stochastic chemical sensing and biosensing, membrane separation, nanofluidics and fundamental nanoelectrochemistry. Advancements in these applications require a fundamental understanding of ion transport at nanoscale interfaces. The understanding of the dynamic or transient transport, and the key physical process involved, is limited, which contrasts sharply with widely studied steady-state ion transport features at atomic and nanometer scale interfaces. Here we report striking time-dependent ion transport characteristics at nanoscale interfaces in current–potential (I–V) measurements and theoretical analyses. First, a unique non-zero I–V cross-point and pinched I–Vmore » curves are established as signatures to characterize the dynamics of ion transport through individual conical nanopipettes. Moreoever, ion transport against a concentration gradient is regulated by applied and surface electrical fields. The concept of ion pumping or separation is demonstrated via the selective ion transport against concentration gradients through individual nanopipettes. Third, this dynamic ion transport process under a predefined salinity gradient is discussed in the context of nanoscale energy conversion in supercapacitor type charging–discharging, as well as chemical and electrical energy conversion. Our analysis of the emerging current–potential features establishes the urgently needed physical foundation for energy conversion employing ordered nanostructures. The elucidated mechanism and established methodology can be generalized into broadly-defined nanoporous materials and devices for improved energy, separation and sensing applications.« less

  9. Thermal conductivity at the nanoscale: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Lyver, John W., IV

    With the growing use of nanotechnology and nanodevices in many fields of engineering and science, a need for understanding the thermal properties of such devices has increased. The ability for nanomaterials to conduct heat is highly dependent on the purity of the material, internal boundaries due to material changes and the structure of the material itself. Experimentally measuring the heat transport at the nanoscale is extremely difficult and can only be done as a macro output from the device. Computational methods such as various Monte Carlo (MC) and molecular dynamics (MD) techniques for studying the contribution of atomic vibrations associated with heat transport properties are very useful. The Green--Kubo method in conjunction with Fourier's law for calculating the thermal conductivity, kappa, has been used in this study and has shown promise as one approach well adapted for understanding nanosystems. Investigations were made of the thermal conductivity using noble gases, modeled with Lennard-Jones (LJ) interactions, in solid face-centered cubic (FCC) structures. MC and MD simulations were done to study homogeneous monatomic and binary materials as well as slabs of these materials possessing internal boundaries. Additionally, MD simulations were done on silicon carbide nanowires, nanotubes, and nanofilaments using a potential containing two-body and three-body terms. The results of the MC and MD simulations were matched against available experimental and other simulations and showed that both methods can accurately simulate real materials in a fraction of the time and effort. The results of the study show that in compositionally disordered materials the selection of atomic components by their mass, hard-core atomic diameter, well depth, and relative concentration can change the kappa by as much as an order of magnitude. It was found that a 60% increase in mass produces a 25% decrease in kappa. A 50% increase in interatomic strength produces a 25% increase in

  10. First evidence on phloem transport of nanoscale calcium oxide in groundnut using solution culture technique

    NASA Astrophysics Data System (ADS)

    Deepa, Manchala; Sudhakar, Palagiri; Nagamadhuri, Kandula Venkata; Balakrishna Reddy, Kota; Giridhara Krishna, Thimmavajjula; Prasad, Tollamadugu Naga Venkata Krishna Vara

    2015-06-01

    Nanoscale materials, whose size typically falls below 100 nm, exhibit novel chemical, physical and biological properties which are different from their bulk counterparts. In the present investigation, we demonstrated that nanoscale calcium oxide particles (n-CaO) could transport through phloem tissue of groundnut unlike the corresponding bulk materials. n-CaO particles are prepared using sol-gel method. The size of the as prepared n-CaO measured (69.9 nm) using transmission electron microscopic technique (TEM). Results of the hydroponics experiment using solution culture technique revealed that foliar application of n-CaO at different concentrations (10, 50, 100, 500, 1,000 ppm) on groundnut plants confirmed the entry of calcium into leaves and stems through phloem compared to bulk source of calcium sprayed (CaO and CaNO3). After spraying of n-CaO, calcium content in roots, shoots and leaves significantly increased. Based on visual scoring of calcium deficiency correction and calcium content in plant parts, we may establish the fact that nanoscale calcium oxide particles (size 69.9 nm) could move through phloem tissue in groundnut. This is the first report on phloem transport of nanoscale calcium oxide particles in plants and this result points to the use of nanoscale calcium oxide particles as calcium source to the plants through foliar application, agricultural crops in particular, as bulk calcium application through foliar nutrition is restricted due to its non-mobility in phloem.

  11. Influence Of pH On The Transport Of Nanoscale Zinc Oxide In Saturated Porous Media

    EPA Science Inventory

    Widespread use of nanoscale zinc oxide (nZnO) in various fields causes subsurface environment contamination. Even though the transport of dissolved zinc ions in subsurface environments such as soils and sediments has been widely studied, the transport mechanism of nZnO in such e...

  12. Characterization of molecule and particle transport through nanoscale conduits

    NASA Astrophysics Data System (ADS)

    Alibakhshi, Mohammad Amin

    Nanofluidic devices have been of great interest due to their applications in variety of fields, including energy conversion and storage, water desalination, biological and chemical separations, and lab-on-a-chip devices. Although these applications cross the boundaries of many different disciplines, they all share the demand for understanding transport in nanoscale conduits. In this thesis, different elusive aspects of molecule and particle transport through nanofluidic conduits are investigated, including liquid and ion transport in nanochannels, diffusion- and reaction-governed enzyme transport in nanofluidic channels, and finally translocation of nanobeads through nanopores. Liquid or solvent transport through nanoconfinements is an essential yet barely characterized component of any nanofluidic systems. In the first chapter, water transport through single hydrophilic nanochannels with heights down to 7 nm is experimentally investigated using a new measurement technique. This technique has been developed based on the capillary flow and a novel hybrid nanochannel design and is capable of characterizing flow in both single nanoconduits as well as nanoporous media. The presence of a 0.7 nm thick hydration layer on hydrophilic surfaces and its effect on increasing the hydraulic resistance of the nanochannels is verified. Next, ion transport in a new class of nanofluidic rectifiers is theoretically and experimentally investigated. These so called nanofluidic diodes are nanochannels with asymmetric geometries which preferentially allow ion transport in one direction. A nondimensional number as a function of electrolyte concentration, nanochannel dimensions, and surface charge is derived that summarizes the rectification behavior of this system. In the fourth chapter, diffusion- and reaction-governed enzyme transport in nanofluidic channels is studied and the theoretical background necessary for understanding enzymatic activity in nanofluidic channels is presented. A

  13. Nanoscale thermal imaging of dissipation in quantum systems and in encapsulated graphene

    NASA Astrophysics Data System (ADS)

    Halbertal, Dorri

    Energy dissipation is a fundamental process governing the dynamics of physical systems. In condensed matter physics, in particular, scattering mechanisms, loss of quantum information, or breakdown of topological protection are deeply rooted in the intricate details of how and where the dissipation occurs. Despite its vital importance the microscopic behavior of a system is usually not formulated in terms of dissipation because the latter is not a readily measureable quantity on the microscale. While the motivation is clear, existing thermal imaging methods lack the necessary sensitivity and are unsuitable for low temperature operation required for the study of quantum systems. We developed a superconducting quantum interference nano thermometer device with sub 50 nm diameter that resides at the apex of a sharp pipette and provides scanning cryogenic thermal sensing with four orders of magnitude improved thermal sensitivity of below 1 uK/sqrtHz. The noncontact noninvasive thermometry allows thermal imaging of very low nanoscale energy dissipation down to the fundamental Landauer limitý of 40 fW for continuous readout of a single qubit at 1 GHz at 4.2 K. These advances enable observation of dissipation due to single electron charging of individual quantum dots in carbon nanotubes, opening the door to direct imaging of nanoscale dissipation processes in quantum matter. In this talk I will describe the technique and present a study of hBN encapsulated graphene which reveals a novel dissipation mechanism due to atomic-scale resonant localized states at the edges of graphene. These results provide a direct valuable glimpse into the electron thermalization process in systems with weak electron-phonon interactions. Funded by European Research Council (ERC) under the European Union's Horizon 2020 programme (Grant No. 655416), Minerva Foundation with funding from the Federal German Ministry of Education and Research, Rosa and Emilio Segré Research Award, and the MISTI.

  14. Preface: Charge transport in nanoscale junctions

    NASA Astrophysics Data System (ADS)

    Albrecht, Tim; Kornyshev, Alexei; Bjørnholm, Thomas

    2008-09-01

    Understanding the fundamentals of nanoscale charge transfer is pivotal for designing future nano-electronic devices. Such devices could be based on individual or groups of molecular bridges, nanotubes, nanoparticles, biomolecules and other 'active' components, mimicking wire, diode and transistor functions. These have operated in various environments including vacuum, air and condensed matter, in two- or three-electrode configurations, at ultra-low and room temperatures. Interest in charge transport in ultra-small device components has a long history and can be dated back to Aviram and Ratner's letter in 1974 (Chem. Phys. Lett. 29 277-83). So why is there a necessity for a special issue on this subject? The area has reached some degree of maturity, and even subtle geometric effects in the nanojunction and noise features can now be resolved and rationalized based on existing theoretical concepts. One purpose of this special issue is thus to showcase various aspects of nanoscale and single-molecule charge transport from experimental and theoretical perspectives. The main principles have 'crystallized' in our minds, but there is still a long way to go before true single-molecule electronics can be implemented. Major obstacles include the stability of electronic nanojunctions, reliable operation at room temperature, speed of operation and, last but not least, integration into large networks. A gradual transition from traditional silicon-based electronics to devices involving a single (or a few) molecule(s) therefore appears to be more viable from technologic and economic perspectives than a 'quantum leap'. As research in this area progresses, new applications emerge, e.g. with a view to characterizing interfacial charge transfer at the single-molecule level in general. For example, electrochemical experiments with individual enzyme molecules demonstrate that catalytic processes can be studied with nanometre resolution, offering a route towards optimizing biosensors at

  15. Extreme low thermal conductivity in nanoscale 3D Si phononic crystal with spherical pores.

    PubMed

    Yang, Lina; Yang, Nuo; Li, Baowen

    2014-01-01

    In this work, we propose a nanoscale three-dimensional (3D) Si phononic crystal (PnC) with spherical pores, which can reduce the thermal conductivity of bulk Si by a factor up to 10,000 times at room temperature. Thermal conductivity of Si PnCs depends on the porosity, for example, the thermal conductivity of Si PnCs with porosity 50% is 300 times smaller than that of bulk Si. The phonon participation ratio spectra demonstrate that more phonons are localized as the porosity increases. The thermal conductivity is insensitive to the temperature changes from room temperature to 1100 K. The extreme-low thermal conductivity could lead to a larger value of ZT than unity as the periodic structure affects very little the electric conductivity.

  16. Charge transport in nanoscale "all-inorganic" networks of semiconductor nanorods linked by metal domains.

    PubMed

    Lavieville, Romain; Zhang, Yang; Casu, Alberto; Genovese, Alessandro; Manna, Liberato; Di Fabrizio, Enzo; Krahne, Roman

    2012-04-24

    Charge transport across metal-semiconductor interfaces at the nanoscale is a crucial issue in nanoelectronics. Chains of semiconductor nanorods linked by Au particles represent an ideal model system in this respect, because the metal-semiconductor interface is an intrinsic feature of the nanosystem and does not manifest solely as the contact to the macroscopic external electrodes. Here we investigate charge transport mechanisms in all-inorganic hybrid metal-semiconductor networks fabricated via self-assembly in solution, in which CdSe nanorods were linked to each other by Au nanoparticles. Thermal annealing of our devices changed the morphology of the networks and resulted in the removal of small Au domains that were present on the lateral nanorod facets, and in ripening of the Au nanoparticles in the nanorod junctions with more homogeneous metal-semiconductor interfaces. In such thermally annealed devices the voltage dependence of the current at room temperature can be well described by a Schottky barrier lowering at a metal semiconductor contact under reverse bias, if the spherical shape of the gold nanoparticles is considered. In this case the natural logarithm of the current does not follow the square-root dependence of the voltage as in the bulk, but that of V(2/3). From our fitting with this model we extract the effective permittivity that agrees well with theoretical predictions for the permittivity near the surface of CdSe nanorods. Furthermore, the annealing improved the network conductance at cryogenic temperatures, which could be related to the reduction of the number of trap states.

  17. Thermal transport in boron nitride nanotorus—towards a nanoscopic thermal shield

    NASA Astrophysics Data System (ADS)

    Loh, G. C.; Baillargeat, D.

    2013-11-01

    Nanotori, or nanorings, are topological variants of nanotubes and are conceived to have different properties from their tubular form. In this study, the toroidal arrangement of boron nitride is introduced. Using classical molecular dynamics simulations, the thermal behaviour (thermal conductivity and thermal stability) of the boron nitride nanotorus and its relationship with the structural characteristics are investigated. Its circumferential thermal rectification strength displays a linear dependence on the bending coefficient of the nanostructure. Surface kinks are relatively inconsequential on its circumferential mode of conduction, as compared to its axial sense. The circumferential conductivity in the diffusive regime is calculated to be approximately 10 W/m K, while the axial conductivity is more than tenfold of this value. All nanotori with different toroidal characters show excellent thermal stability at extremely high temperatures approaching 3400 K. With consideration to its favourable properties, a thermal shield made up of a parallel row of nanotori is proposed as a nanoscale thermal insulation device.

  18. Computational Models for Nanoscale Fluid Dynamics and Transport Inspired by Nonequilibrium Thermodynamics1

    PubMed Central

    Radhakrishnan, Ravi; Yu, Hsiu-Yu; Eckmann, David M.; Ayyaswamy, Portonovo S.

    2017-01-01

    Traditionally, the numerical computation of particle motion in a fluid is resolved through computational fluid dynamics (CFD). However, resolving the motion of nanoparticles poses additional challenges due to the coupling between the Brownian and hydrodynamic forces. Here, we focus on the Brownian motion of a nanoparticle coupled to adhesive interactions and confining-wall-mediated hydrodynamic interactions. We discuss several techniques that are founded on the basis of combining CFD methods with the theory of nonequilibrium statistical mechanics in order to simultaneously conserve thermal equipartition and to show correct hydrodynamic correlations. These include the fluctuating hydrodynamics (FHD) method, the generalized Langevin method, the hybrid method, and the deterministic method. Through the examples discussed, we also show a top-down multiscale progression of temporal dynamics from the colloidal scales to the molecular scales, and the associated fluctuations, hydrodynamic correlations. While the motivation and the examples discussed here pertain to nanoscale fluid dynamics and mass transport, the methodologies presented are rather general and can be easily adopted to applications in convective heat transfer. PMID:28035168

  19. Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Stephen M.; Luican-Mayer, Adina; Bhattacharya, Anand

    Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS 2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearlymore » commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS 2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW! NCCDW transition.« less

  20. Solitonic Josephson Thermal Transport

    NASA Astrophysics Data System (ADS)

    Guarcello, Claudio; Solinas, Paolo; Braggio, Alessandro; Giazotto, Francesco

    2018-03-01

    We explore the coherent thermal transport sustained by solitons through a long Josephson junction as a thermal gradient across the system is established. We observe that a soliton causes the heat current through the system to increase. Correspondingly, the junction warms up in conjunction with the soliton, with temperature peaks up to, e.g., approximately 56 mK for a realistic Nb-based proposed setup at a bath temperature Tbath=4.2 K . The thermal effects on the dynamics of the soliton are also discussed. Markedly, this system inherits the topological robustness of the solitons. In view of these results, the proposed device can effectively find an application as a superconducting thermal router in which the thermal transport can be locally mastered through solitonic excitations, whose positions can be externally controlled through a magnetic field and a bias current.

  1. A New Regime of Nanoscale Thermal Transport: Collective Diffusion Increases Dissipation Efficiency

    DTIC Science & Technology

    2015-04-21

    including thermal management in nanoelectronics and optoelectronics, thermoelectric devices, nanoenhanced photovoltaics , and nanoparticle-mediated...applications including thermoelectrics for energyharvesting, nanoparticle-mediated thermal therapy, nano- enhanced photovoltaics , and thermal... thermoelectric devices, nanoparticle- mediated thermal therapies, and nanoenhanced photovoltaics for improving clean-energy technologies. Author contributions

  2. Nanoscale Ex-Situ Thermal Impulse Sensors for Structural Fire Forensics.

    PubMed

    Anderson, Benjamin R; Gese, Natalie; Gunawidjaja, Ray; Eilers, Hergen

    2017-01-01

    We develop nanoscale ex situ thermal impulse (i.e., the temperature and duration of a heating event) sensors for structural fire forensics using a mixture of two lanthanide-doped oxide precursors (precursor Eu:ZrO 2 and precursor Dy:Y 2 O 3 ) that undergo irreversible phase changes when heated. These changes are probed using photoluminescence (PL) spectroscopy with the PL spectra being dependent on the thermal impulse (TI) experienced by the sensors. By correlating the PL spectra to different in-lab TIs, we are able to produce a spectroscopic calibration for our sensors. This calibration allows us to determine an unknown TI of a heating event using only the PL spectrum of the heated TI sensors. In this study, we report on the calibration of these sensors for isothermal heating durations up to 600 s and isothermal temperatures up to 1273 K. Using this calibration, we also demonstrate their ability to determine an unknown TI and demonstrate their functionality when dispersed into paint, which is heated in the presence of drywall.

  3. Directed transport by surface chemical potential gradients for enhancing analyte collection in nanoscale sensors.

    PubMed

    Sitt, Amit; Hess, Henry

    2015-05-13

    Nanoscale detectors hold great promise for single molecule detection and the analysis of small volumes of dilute samples. However, the probability of an analyte reaching the nanosensor in a dilute solution is extremely low due to the sensor's small size. Here, we examine the use of a chemical potential gradient along a surface to accelerate analyte capture by nanoscale sensors. Utilizing a simple model for transport induced by surface binding energy gradients, we study the effect of the gradient on the efficiency of collecting nanoparticles and single and double stranded DNA. The results indicate that chemical potential gradients along a surface can lead to an acceleration of analyte capture by several orders of magnitude compared to direct collection from the solution. The improvement in collection is limited to a relatively narrow window of gradient slopes, and its extent strongly depends on the size of the gradient patch. Our model allows the optimization of gradient layouts and sheds light on the fundamental characteristics of chemical potential gradient induced transport.

  4. Nanoscale radiation transport and clinical beam modeling for gold nanoparticle dose enhanced radiotherapy (GNPT) using X-rays

    PubMed Central

    Sajo, Erno

    2016-01-01

    We review radiation transport and clinical beam modelling for gold nanoparticle dose-enhanced radiotherapy using X-rays. We focus on the nanoscale radiation transport and its relation to macroscopic dosimetry for monoenergetic and clinical beams. Among other aspects, we discuss Monte Carlo and deterministic methods and their applications to predicting dose enhancement using various metrics. PMID:26642305

  5. Nanoscale On-Silico Electron Transport via Ferritins.

    PubMed

    Bera, Sudipta; Kolay, Jayeeta; Banerjee, Siddhartha; Mukhopadhyay, Rupa

    2017-02-28

    nanocore-containing biomaterial (for storage/transport of metals and drugs) and silicon can be a versatile nanoscale solid support (for its biocompatible nature).

  6. Thermal Properties and Phonon Spectral Characterization of Synthetic Boron Phosphide for High Thermal Conductivity Applications.

    PubMed

    Kang, Joon Sang; Wu, Huan; Hu, Yongjie

    2017-12-13

    Heat dissipation is an increasingly critical technological challenge in modern electronics and photonics as devices continue to shrink to the nanoscale. To address this challenge, high thermal conductivity materials that can efficiently dissipate heat from hot spots and improve device performance are urgently needed. Boron phosphide is a unique high thermal conductivity and refractory material with exceptional chemical inertness, hardness, and high thermal stability, which holds high promises for many practical applications. So far, however, challenges with boron phosphide synthesis and characterization have hampered the understanding of its fundamental properties and potential applications. Here, we describe a systematic thermal transport study based on a synergistic synthesis-experimental-modeling approach: we have chemically synthesized high-quality boron phosphide single crystals and measured their thermal conductivity as a record-high 460 W/mK at room temperature. Through nanoscale ballistic transport, we have, for the first time, mapped the phonon spectra of boron phosphide and experimentally measured its phonon mean free-path spectra with consideration of both natural and isotope-pure abundances. We have also measured the temperature- and size-dependent thermal conductivity and performed corresponding calculations by solving the three-dimensional and spectral-dependent phonon Boltzmann transport equation using the variance-reduced Monte Carlo method. The experimental results are in good agreement with that predicted by multiscale simulations and density functional theory, which together quantify the heat conduction through the phonon mode dependent scattering process. Our finding underscores the promise of boron phosphide as a high thermal conductivity material for a wide range of applications, including thermal management and energy regulation, and provides a detailed, microscopic-level understanding of the phonon spectra and thermal transport mechanisms of

  7. Effect of air confinement on thermal contact resistance in nanoscale heat transfer

    NASA Astrophysics Data System (ADS)

    Pratap, Dheeraj; Islam, Rakibul; Al-Alam, Patricia; Randrianalisoa, Jaona; Trannoy, Nathalie

    2018-03-01

    Here, we report a detailed analysis of thermal contact resistance (R c) of nano-size contact formed between a Wollaston wire thermal probe and the used samples (fused silica and titanium) as a function of air pressure (from 1 Pa to 105 Pa). Moreover, we suggest an analytical model using experimental data to extract R c. We found that for both samples, the thermal contact resistance decreases with increasing air pressure. We also showed that R c strongly depends on the thermal conductivity of materials keeping other parameters the same, such as roughness of the probe and samples, as well as the contact force. We provide a physical explanation of the R c trend with pressure and thermal conductivity of the materials: R c is ascribed to the heat transfer through solid-solid (probe-sample) contact and confined air at nanoscale cavities, due to the rough nature of the materials in contact. The contribution of confined air on heat transfer through the probe sample contact is significant at atmospheric pressure but decreases as the pressure decreases. In vacuum, only the solid-solid contact contributes to R c. In addition, theoretical calculations using the well-known acoustic and diffuse mismatch models showed a high thermal conductivity material that exhibits high heat transmission and consequently low R c, supporting our findings.

  8. Nanophotonic Atomic Force Microscope Transducers Enable Chemical Composition and Thermal Conductivity Measurements at the Nanoscale [Nanophotonic AFM Transducers Enable Chemical Composition and Thermal Conductivity Measurements at the Nanoscale

    DOE PAGES

    Chae, Jungseok; An, Sangmin; Ramer, Georg; ...

    2017-08-03

    The atomic force microscope (AFM) offers a rich observation window on the nanoscale, yet many dynamic phenomena are too fast and too weak for direct AFM detection. Integrated cavity-optomechanics is revolutionizing micromechanical sensing; however, it has not yet impacted AFM. Here, we make a groundbreaking advance by fabricating picogram-scale probes integrated with photonic resonators to realize functional AFM detection that achieve high temporal resolution (<10 ns) and picometer vertical displacement uncertainty simultaneously. The ability to capture fast events with high precision is leveraged to measure the thermal conductivity (η), for the first time, concurrently with chemical composition at the nanoscalemore » in photothermal induced resonance experiments. The intrinsic η of metal–organic-framework individual microcrystals, not measurable by macroscale techniques, is obtained with a small measurement uncertainty (8%). The improved sensitivity (50×) increases the measurement throughput 2500-fold and enables chemical composition measurement of molecular monolayer-thin samples. In conclusion, our paradigm-shifting photonic readout for small probes breaks the common trade-off between AFM measurement precision and ability to capture transient events, thus transforming the ability to observe nanoscale dynamics in materials.« less

  9. Nanophotonic Atomic Force Microscope Transducers Enable Chemical Composition and Thermal Conductivity Measurements at the Nanoscale [Nanophotonic AFM Transducers Enable Chemical Composition and Thermal Conductivity Measurements at the Nanoscale

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chae, Jungseok; An, Sangmin; Ramer, Georg

    The atomic force microscope (AFM) offers a rich observation window on the nanoscale, yet many dynamic phenomena are too fast and too weak for direct AFM detection. Integrated cavity-optomechanics is revolutionizing micromechanical sensing; however, it has not yet impacted AFM. Here, we make a groundbreaking advance by fabricating picogram-scale probes integrated with photonic resonators to realize functional AFM detection that achieve high temporal resolution (<10 ns) and picometer vertical displacement uncertainty simultaneously. The ability to capture fast events with high precision is leveraged to measure the thermal conductivity (η), for the first time, concurrently with chemical composition at the nanoscalemore » in photothermal induced resonance experiments. The intrinsic η of metal–organic-framework individual microcrystals, not measurable by macroscale techniques, is obtained with a small measurement uncertainty (8%). The improved sensitivity (50×) increases the measurement throughput 2500-fold and enables chemical composition measurement of molecular monolayer-thin samples. In conclusion, our paradigm-shifting photonic readout for small probes breaks the common trade-off between AFM measurement precision and ability to capture transient events, thus transforming the ability to observe nanoscale dynamics in materials.« less

  10. Thermal energy storage and transport

    NASA Technical Reports Server (NTRS)

    Hausz, W.

    1980-01-01

    The extraction of thermal energy from large LWR and coal fired plants for long distance transport to industrial and residential/commercial users is analyzed. Transport of thermal energy as high temperature water is shown to be considerably cheaper than transport as steam, hot oil, or molten salt over a wide temperature range. The delivered heat is competitive with user-generated heat from oil, coal, or electrode boilers at distances well over 50 km when the pipeline operates at high capacity factor. Results indicate that thermal energy storage makes meeting of even very low capacity factor heat demands economic and feasible and gives the utility flexibility to meet coincident electricity and heat demands effectively.

  11. Transport of Lactate-modified Nanoscale Iron Particles in Porous Media

    NASA Astrophysics Data System (ADS)

    Reddy, K. R.

    2012-12-01

    Nanoscale iron particles (NIP) have recently shown to be effective for dehalogenation of recalcitrant organic contaminants such as pentachlorphenol (PCP) and dinitrotoluene (DNT) in the environment. However, effective transport of NIP into the contaminated subsurface zones is crucial for the success of in-situ remediation. Previous studies showed that the transport of NIP in soils is very limited and surface-modification of NIP is required to achieve adequate transport. This paper investigates the transport of NIP and lactate-modified NIP (LMNIP) through four different porous media (sands with different particle size and distribution). A series of laboratory column experiments was conducted to quantify the transport of NIP and LMNIP at two different slurry concentrations of 1 g/L and 4 g/L under two different flow velcoities. NIP used in this study possessed magentic properties, thus a magnetic susceptibility sensor system was used to monitor the changes in magnetic susceptibility (MS) along the length of the column at different times during the experiments. At the end of testing, the distribution of total Fe in the sand column was measured. Results showed a linear correlation between the Fe concentration and MS and it was used to assess the transient transport of NIP and LMNIP in the sand columns. Results showed that LMNIP transported better than bare NIP and higher concentration of 4 g/L LMNIP exhibited unform and greater transport compared to other tested conditions. Transport of NIP increased in the order from fine Ottawa sand > medium field sand > coarse field sand > coarse Ottawa sand. Filtration theory and advective-dispersion equation with reaction were applied to capture the transport response of NIP and LMNIP in the sand columns.

  12. Endocytosis of Nanoscale Systems for Cancer Treatments.

    PubMed

    Chen, Kai; Li, Xue; Zhu, Hongyan; Gong, Qiyong; Luo, Kui

    2017-04-28

    Advances of nanoscale systems for cancer treatment have been involved in enabling highly regulated site-specific localization to sub cellular organelles hidden beneath cell membranes. Thus far, the cellular entry of these nanoscale systems has been not fully understood. Endocytosisis a form of active transport in which cell transports elected extracellular molecules (such as proteins, viruses, micro-organisms and nanoscale systems) are allowed into cell interiors by engulfing them in an energy-dependent process. This process appears at the plasma membrane surface and contains internalization of the cell membrane as well as the membrane proteins and lipids of cell. There are multiform pathways of endocytosis for nanoscale systems. Further comprehension for the mechanisms of endocytosis is achieved with a combination of efficient genetic manipulations, cell dynamic imaging, and chemical endocytosis inhibitors. This review provides an account of various endocytic pathways, itemizes current methods to study endocytosis of nanoscale systems, discusses some factors associated with cellular uptake for nanoscale systems and introduces the trafficking behavior for nanoscale systems with active targeting. An insight into the endocytosis mechanism is urgent and significant for developing safe and efficient nanoscale systems for cancer diagnosis and therapy. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  13. Transport of carbon colloid supported nanoscale zero-valent iron in saturated porous media

    NASA Astrophysics Data System (ADS)

    Busch, Jan; Meißner, Tobias; Potthoff, Annegret; Oswald, Sascha E.

    2014-08-01

    Injection of nanoscale zero-valent iron (nZVI) has recently gained great interest as emerging technology for in-situ remediation of chlorinated organic compounds from groundwater systems. Zero-valent iron (ZVI) is able to reduce organic compounds and to render it to less harmful substances. The use of nanoscale particles instead of granular or microscale particles can increase dechlorination rates by orders of magnitude due to its high surface area. However, classical nZVI appears to be hampered in its environmental application by its limited mobility. One approach is colloid supported transport of nZVI, where the nZVI gets transported by a mobile colloid. In this study transport properties of activated carbon colloid supported nZVI (c-nZVI; d50 = 2.4 μm) are investigated in column tests using columns of 40 cm length, which were filled with porous media. A suspension was pumped through the column under different physicochemical conditions (addition of a polyanionic stabilizer and changes in pH and ionic strength). Highest observed breakthrough was 62% of the injected concentration in glass beads with addition of stabilizer. Addition of mono- and bivalent salt, e.g. more than 0.5 mM/L CaCl2, can decrease mobility and changes in pH to values below six can inhibit mobility at all. Measurements of colloid sizes and zeta potentials show changes in the mean particle size by a factor of ten and an increase of zeta potential from - 62 mV to - 80 mV during the transport experiment. However, results suggest potential applicability of c-nZVI under field conditions.

  14. Transport of carbon colloid supported nanoscale zero-valent iron in saturated porous media.

    PubMed

    Busch, Jan; Meißner, Tobias; Potthoff, Annegret; Oswald, Sascha E

    2014-08-01

    Injection of nanoscale zero-valent iron (nZVI) has recently gained great interest as emerging technology for in-situ remediation of chlorinated organic compounds from groundwater systems. Zero-valent iron (ZVI) is able to reduce organic compounds and to render it to less harmful substances. The use of nanoscale particles instead of granular or microscale particles can increase dechlorination rates by orders of magnitude due to its high surface area. However, classical nZVI appears to be hampered in its environmental application by its limited mobility. One approach is colloid supported transport of nZVI, where the nZVI gets transported by a mobile colloid. In this study transport properties of activated carbon colloid supported nZVI (c-nZVI; d50=2.4μm) are investigated in column tests using columns of 40cm length, which were filled with porous media. A suspension was pumped through the column under different physicochemical conditions (addition of a polyanionic stabilizer and changes in pH and ionic strength). Highest observed breakthrough was 62% of the injected concentration in glass beads with addition of stabilizer. Addition of mono- and bivalent salt, e.g. more than 0.5mM/L CaCl2, can decrease mobility and changes in pH to values below six can inhibit mobility at all. Measurements of colloid sizes and zeta potentials show changes in the mean particle size by a factor of ten and an increase of zeta potential from -62mV to -80mV during the transport experiment. However, results suggest potential applicability of c-nZVI under field conditions. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Interplay between total thickness and period thickness in the phonon thermal conductivity of superlattices from the nanoscale to the microscale: Coherent versus incoherent phonon transport

    NASA Astrophysics Data System (ADS)

    Cheaito, Ramez; Polanco, Carlos A.; Addamane, Sadhvikas; Zhang, Jingjie; Ghosh, Avik W.; Balakrishnan, Ganesh; Hopkins, Patrick E.

    2018-02-01

    We report on the room temperature thermal conductivity of AlAs-GaAs superlattices (SLs), in which we systematically vary the period thickness and total thickness between 2 -24 nm and 20.1 -2 ,160 nm , respectively. The thermal conductivity increases with the SL thickness and plateaus at a thickness around 200 nm, showing a clear transition from a quasiballistic to a diffusive phonon transport regime. These results demonstrate the existence of classical size effects in SLs, even at the highest interface density samples. We use harmonic atomistic Green's function calculations to capture incoherence in phonon transport by averaging the calculated transmission over several purely coherent simulations of independent SL with different random mixing at the AlAs-GaAs interfaces. These simulations demonstrate the significant contribution of incoherent phonon transport through the decrease in the transmission and conductance in the SLs as the number of interfaces increases. In spite of this conductance decrease, our simulations show a quasilinear increase in thermal conductivity with the superlattice thickness. This suggests that the observation of a quasilinear increase in thermal conductivity can have important contributions from incoherent phonon transport. Furthermore, this seemingly linear slope in thermal conductivity versus SL thickness data may actually be nonlinear when extended to a larger number of periods, which is a signature of incoherent effects. Indeed, this trend for superlattices with interatomic mixing at the interfaces could easily be interpreted as linear when the number of periods is small. Our results reveal that the change in thermal conductivity with period thickness is dominated by incoherent (particlelike) phonons, whose properties are not dictated by changes in the AlAs or GaAs phonon dispersion relations. This work demonstrates the importance of studying both period and sample thickness dependencies of thermal conductivity to understand the

  16. Nanoscale wicking methods and devices

    NASA Technical Reports Server (NTRS)

    Zhou, Jijie (Inventor); Bronikowski, Michael (Inventor); Noca, Flavio (Inventor); Sansom, Elijah B. (Inventor)

    2011-01-01

    A fluid transport method and fluid transport device are disclosed. Nanoscale fibers disposed in a patterned configuration allow transport of a fluid in absence of an external power source. The device may include two or more fluid transport components having different fluid transport efficiencies. The components may be separated by additional fluid transport components, to control fluid flow.

  17. Phonon Surface Scattering and Thermal Energy Distribution in Superlattices.

    PubMed

    Kothari, Kartik; Maldovan, Martin

    2017-07-17

    Thermal transport at small length scales has attracted significant attention in recent years and various experimental and theoretical methods have been developed to establish the reduced thermal conductivity. The fundamental understanding of how phonons move and the physical mechanisms behind nanoscale thermal transport, however, remains poorly understood. Here we move beyond thermal conductivity calculations and provide a rigorous and comprehensive physical description of thermal phonon transport in superlattices by solving the Boltzmann transport equation and using the Beckman-Kirchhoff surface scattering theory with shadowing to precisely describe phonon-surface interactions. We show that thermal transport in superlattices can be divided in two different heat transport modes having different physical properties at small length scales: layer-restricted and extended heat modes. We study how interface conditions, periodicity, and composition can be used to manipulate the distribution of thermal energy flow among such layer-restricted and extended heat modes. From predicted frequency and mean free path spectra of superlattices, we also investigate the existence of wave effects. The results and insights in this paper advance the fundamental understanding of heat transport in superlattices and the prospects of rationally designing thermal systems with tailored phonon transport properties.

  18. Nanoscale electron transport at the surface of a topological insulator.

    PubMed

    Bauer, Sebastian; Bobisch, Christian A

    2016-04-21

    The use of three-dimensional topological insulators for disruptive technologies critically depends on the dissipationless transport of electrons at the surface, because of the suppression of backscattering at defects. However, in real devices, defects are unavoidable and scattering at angles other than 180° is allowed for such materials. Until now, this has been studied indirectly by bulk measurements and by the analysis of the local density of states in close vicinity to defect sites. Here, we directly measure the nanoscale voltage drop caused by the scattering at step edges, which occurs if a lateral current flows along a three-dimensional topological insulator. The experiments were performed using scanning tunnelling potentiometry for thin Bi2Se3 films. So far, the observed voltage drops are small because of large contributions of the bulk to the electronic transport. However, for the use of ideal topological insulating thin films in devices, these contributions would play a significant role.

  19. Nanoscale electron transport at the surface of a topological insulator

    NASA Astrophysics Data System (ADS)

    Bauer, Sebastian; Bobisch, Christian A.

    2016-04-01

    The use of three-dimensional topological insulators for disruptive technologies critically depends on the dissipationless transport of electrons at the surface, because of the suppression of backscattering at defects. However, in real devices, defects are unavoidable and scattering at angles other than 180° is allowed for such materials. Until now, this has been studied indirectly by bulk measurements and by the analysis of the local density of states in close vicinity to defect sites. Here, we directly measure the nanoscale voltage drop caused by the scattering at step edges, which occurs if a lateral current flows along a three-dimensional topological insulator. The experiments were performed using scanning tunnelling potentiometry for thin Bi2Se3 films. So far, the observed voltage drops are small because of large contributions of the bulk to the electronic transport. However, for the use of ideal topological insulating thin films in devices, these contributions would play a significant role.

  20. Heat transport through atomic contacts.

    PubMed

    Mosso, Nico; Drechsler, Ute; Menges, Fabian; Nirmalraj, Peter; Karg, Siegfried; Riel, Heike; Gotsmann, Bernd

    2017-05-01

    Heat transport and dissipation at the nanoscale severely limit the scaling of high-performance electronic devices and circuits. Metallic atomic junctions serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects that occur in one-dimensional (1D) systems. Whereas charge transport in atomic junctions has been studied intensively in the past two decades, heat transport remains poorly characterized because it requires the combination of a high sensitivity to small heat fluxes and the formation of stable atomic contacts. Here we report heat-transfer measurements through atomic junctions and analyse the thermal conductance of single-atom gold contacts at room temperature. Simultaneous measurements of charge and heat transport reveal the proportionality of electrical and thermal conductance, quantized with the respective conductance quanta. This constitutes a verification of the Wiedemann-Franz law at the atomic scale.

  1. Thermal Conductivity of a Nanoscale Yttrium Iron Garnet Thin-Film Prepared by the Sol-Gel Process

    PubMed Central

    2017-01-01

    The thermal conductivity of a nanoscale yttrium iron garnet (Y3Fe5O12, YIG) thin-film prepared by a sol-gel method was evaluated using the ultrafast pump-probe technique in the present study. The thermoreflectance change on the surface of a 250 nm thick YIG film, induced by the irradiation of femtosecond laser pulses, was measured, and curve fitting of a numerical solution for the transient heat conduction equation to the experimental data was performed using the finite difference method in order to extract the thermal property. Results show that the film’s thermal conductivity is 22–83% higher than the properties of bulk YIG materials prepared by different fabrication techniques, reflecting the microstructural characteristics and quality of the film. PMID:28858249

  2. Rate and State Friction Relation for Nanoscale Contacts: Thermally Activated Prandtl-Tomlinson Model with Chemical Aging

    NASA Astrophysics Data System (ADS)

    Tian, Kaiwen; Goldsby, David L.; Carpick, Robert W.

    2018-05-01

    Rate and state friction (RSF) laws are widely used empirical relationships that describe macroscale to microscale frictional behavior. They entail a linear combination of the direct effect (the increase of friction with sliding velocity due to the reduced influence of thermal excitations) and the evolution effect (the change in friction with changes in contact "state," such as the real contact area or the degree of interfacial chemical bonds). Recent atomic force microscope (AFM) experiments and simulations found that nanoscale single-asperity amorphous silica-silica contacts exhibit logarithmic aging (increasing friction with time) over several decades of contact time, due to the formation of interfacial chemical bonds. Here we establish a physically based RSF relation for such contacts by combining the thermally activated Prandtl-Tomlinson (PTT) model with an evolution effect based on the physics of chemical aging. This thermally activated Prandtl-Tomlinson model with chemical aging (PTTCA), like the PTT model, uses the loading point velocity for describing the direct effect, not the tip velocity (as in conventional RSF laws). Also, in the PTTCA model, the combination of the evolution and direct effects may be nonlinear. We present AFM data consistent with the PTTCA model whereby in aging tests, for a given hold time, static friction increases with the logarithm of the loading point velocity. Kinetic friction also increases with the logarithm of the loading point velocity at sufficiently high velocities, but at a different increasing rate. The discrepancy between the rates of increase of static and kinetic friction with velocity arises from the fact that appreciable aging during static contact changes the energy landscape. Our approach extends the PTT model, originally used for crystalline substrates, to amorphous materials. It also establishes how conventional RSF laws can be modified for nanoscale single-asperity contacts to provide a physically based friction

  3. Rocket Science at the Nanoscale.

    PubMed

    Li, Jinxing; Rozen, Isaac; Wang, Joseph

    2016-06-28

    Autonomous propulsion at the nanoscale represents one of the most challenging and demanding goals in nanotechnology. Over the past decade, numerous important advances in nanotechnology and material science have contributed to the creation of powerful self-propelled micro/nanomotors. In particular, micro- and nanoscale rockets (MNRs) offer impressive capabilities, including remarkable speeds, large cargo-towing forces, precise motion controls, and dynamic self-assembly, which have paved the way for designing multifunctional and intelligent nanoscale machines. These multipurpose nanoscale shuttles can propel and function in complex real-life media, actively transporting and releasing therapeutic payloads and remediation agents for diverse biomedical and environmental applications. This review discusses the challenges of designing efficient MNRs and presents an overview of their propulsion behavior, fabrication methods, potential rocket fuels, navigation strategies, practical applications, and the future prospects of rocket science and technology at the nanoscale.

  4. Quantized thermal transport in single-atom junctions

    NASA Astrophysics Data System (ADS)

    Cui, Longji; Jeong, Wonho; Hur, Sunghoon; Matt, Manuel; Klöckner, Jan C.; Pauly, Fabian; Nielaba, Peter; Cuevas, Juan Carlos; Meyhofer, Edgar; Reddy, Pramod

    2017-03-01

    Thermal transport in individual atomic junctions and chains is of great fundamental interest because of the distinctive quantum effects expected to arise in them. By using novel, custom-fabricated, picowatt-resolution calorimetric scanning probes, we measured the thermal conductance of gold and platinum metallic wires down to single-atom junctions. Our work reveals that the thermal conductance of gold single-atom junctions is quantized at room temperature and shows that the Wiedemann-Franz law relating thermal and electrical conductance is satisfied even in single-atom contacts. Furthermore, we quantitatively explain our experimental results within the Landauer framework for quantum thermal transport. The experimental techniques reported here will enable thermal transport studies in atomic and molecular chains, which will be key to investigating numerous fundamental issues that thus far have remained experimentally inaccessible.

  5. Thermal transport in strongly correlated multilayered nanostructures

    NASA Astrophysics Data System (ADS)

    Freericks, James; Zlatic, Veljko

    2006-03-01

    The formalism for thermal transport in strongly correlated multilayered nanostructures is developed. We employ inhomogeneous dynamical mean-field theory and the Kubo formula to derive relevant thermal transport coefficients, which take the form of matrices with respect to the planar indices. We show how to define the local versions of the current and heat current operators so that heat-current correlation functions can be easily evaluated via the Jonson-Mahan theorem. Thermal transport in nanostructures is complicated by the fact that the thermal current need not be conserved through the device, and a given experimental set-up determines both how the thermal current can change through the device and how the steady-state temperature profile can be determined. Formulae to analyze classic experiments such as the Peltier and Seebeck effects, the thermal conductivity, and for running a thermoelectric cooler or power generator are also discussed.

  6. Transportation of Nanoscale Cargoes by Myosin Propelled Actin Filaments

    PubMed Central

    Persson, Malin; Gullberg, Maria; Tolf, Conny; Lindberg, A. Michael; Månsson, Alf; Kocer, Armagan

    2013-01-01

    Myosin II propelled actin filaments move ten times faster than kinesin driven microtubules and are thus attractive candidates as cargo-transporting shuttles in motor driven lab-on-a-chip devices. In addition, actomyosin-based transportation of nanoparticles is useful in various fundamental studies. However, it is poorly understood how actomyosin function is affected by different number of nanoscale cargoes, by cargo size, and by the mode of cargo-attachment to the actin filament. This is studied here using biotin/fluorophores, streptavidin, streptavidin-coated quantum dots, and liposomes as model cargoes attached to monomers along the actin filaments (“side-attached”) or to the trailing filament end via the plus end capping protein CapZ. Long-distance transportation (>100 µm) could be seen for all cargoes independently of attachment mode but the fraction of motile filaments decreased with increasing number of side-attached cargoes, a reduction that occurred within a range of 10–50 streptavidin molecules, 1–10 quantum dots or with just 1 liposome. However, as observed by monitoring these motile filaments with the attached cargo, the velocity was little affected. This also applied for end-attached cargoes where the attachment was mediated by CapZ. The results with side-attached cargoes argue against certain models for chemomechanical energy transduction in actomyosin and give important insights of relevance for effective exploitation of actomyosin-based cargo-transportation in molecular diagnostics and other nanotechnological applications. The attachment of quantum dots via CapZ, without appreciable modulation of actomyosin function, is useful in fundamental studies as exemplified here by tracking with nanometer accuracy. PMID:23437074

  7. Quantum thermodynamics of nanoscale steady states far from equilibrium

    NASA Astrophysics Data System (ADS)

    Taniguchi, Nobuhiko

    2018-04-01

    We develop an exact quantum thermodynamic description for a noninteracting nanoscale steady state that couples strongly with multiple reservoirs. We demonstrate that there exists a steady-state extension of the thermodynamic function that correctly accounts for the multiterminal Landauer-Büttiker formula of quantum transport of charge, energy, or heat via the nonequilibrium thermodynamic relations. Its explicit form is obtained for a single bosonic or fermionic level in the wide-band limit, and corresponding thermodynamic forces (affinities) are identified. Nonlinear generalization of the Onsager reciprocity relations are derived. We suggest that the steady-state thermodynamic function is also capable of characterizing the heat current fluctuations of the critical transport where the thermal fluctuations dominate. Also, the suggested nonequilibrium steady-state thermodynamic relations seemingly persist for a spin-degenerate single level with local interaction.

  8. Formation of nanoscale water bridges

    NASA Astrophysics Data System (ADS)

    Riedo, Elisa; Szoszkiewicz, Robert; Li, Tai-De; Gao, Jianping; Landman, Uzi

    2006-03-01

    The water bridges provide stability to sand castles, act as transport channels for dip-pen nanolitography and increase adhesion and friction in micro- and nano- devices such as MEMS. The kinetics of capillary condensation and growth at the nanoscale is studied here using friction force microscopy and molecular dynamics calculations. At 40% relative humidity we find that the meniscus nucleation times increase from 0.7 ms up to 4.2 ms when the temperature decreases from 332 K to 299 K. The nucleation times grow exponentially with the inverse temperature 1/T obeying an Arrhenius law. We obtain a nucleation energy barrier of 7.8*10̂-20˜J and an attempt frequency ranging between 4-250˜GHz, in excellent agreement with theoretical predictions. These results provide direct experimental evidence that capillary condensation is a thermally activated phenomenon.

  9. Tutorial: Determination of thermal boundary resistance by molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Liang, Zhi; Hu, Ming

    2018-05-01

    Due to the high surface-to-volume ratio of nanostructured components in microelectronics and other advanced devices, the thermal resistance at material interfaces can strongly affect the overall thermal behavior in these devices. Therefore, the thermal boundary resistance, R, must be taken into account in the thermal analysis of nanoscale structures and devices. This article is a tutorial on the determination of R and the analysis of interfacial thermal transport via molecular dynamics (MD) simulations. In addition to reviewing the commonly used equilibrium and non-equilibrium MD models for the determination of R, we also discuss several MD simulation methods which can be used to understand interfacial thermal transport behavior. To illustrate how these MD models work for various interfaces, we will show several examples of MD simulation results on thermal transport across solid-solid, solid-liquid, and solid-gas interfaces. The advantages and drawbacks of a few other MD models such as approach-to-equilibrium MD and first-principles MD are also discussed.

  10. Three-terminal quantum-dot thermal management devices

    NASA Astrophysics Data System (ADS)

    Zhang, Yanchao; Zhang, Xin; Ye, Zhuolin; Lin, Guoxing; Chen, Jincan

    2017-04-01

    We theoretically demonstrate that the heat flows can be manipulated by designing a three-terminal quantum-dot system consisting of three Coulomb-coupled quantum dots connected to respective reservoirs. In this structure, the electron transport between the quantum dots is forbidden, but the heat transport is allowed by the Coulomb interaction to transmit heat between the reservoirs with a temperature difference. We show that such a system is capable of performing thermal management operations, such as heat flow swap, thermal switch, and heat path selector. An important thermal rectifier, i.e., a thermal diode, can be implemented separately in two different paths. The asymmetric configuration of a quantum-dot system is a necessary condition for thermal management operations in practical applications. These results should have important implications in providing the design principle for quantum-dot thermal management devices and may open up potential applications for the thermal management of quantum-dot systems at the nanoscale.

  11. Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels.

    PubMed

    Kolpak, Alexie M; Grossman, Jeffrey C

    2011-08-10

    Solar thermal fuels, which reversibly store solar energy in molecular bonds, are a tantalizing prospect for clean, renewable, and transportable energy conversion/storage. However, large-scale adoption requires enhanced energy storage capacity and thermal stability. Here we present a novel solar thermal fuel, composed of azobenzene-functionalized carbon nanotubes, with the volumetric energy density of Li-ion batteries. Our work also demonstrates that the inclusion of nanoscale templates is an effective strategy for design of highly cyclable, thermally stable, and energy-dense solar thermal fuels.

  12. Monte Carlo Transport for Electron Thermal Transport

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2015-11-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup electron thermal transport method of Cao et al. is adapted into a Monte Carlo transport method in order to better model the effects of non-local behavior. The end goal is a hybrid transport-diffusion method that combines Monte Carlo Transport with a discrete diffusion Monte Carlo (DDMC). The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the method will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

  13. Nanophononics at low temperature: manipulating heat at the nanoscale

    NASA Astrophysics Data System (ADS)

    Bourgeois, Olivier

    2014-03-01

    Nanophononics is an emerging field of condensed matter that deals with transport of thermal phonons at small length scales. When the section of a waveguide becomes smaller than the mean free path or the phonon wavelength, heat transfer are strongly affected. Here, I will present the results we obtained by ultra- sensitive measurements of thermal conductance of suspended nano-objects (nanowires and membranes) using the 3 ω method. This experimental set-up allows the measurement of power as small as a fraction of femtoWatt (10-15 Watt). These experiments show that the concepts of mean free path and dominant wavelength are crucial to understand the phonon thermal transport below 10K. The phonon transport, at this temperature, is well described by the Casimir-Ziman model used here to treat the data. The contribution of the thermal contact between a nanowire and the heat bath has been estimated to be close to one, thanks to the fact that the nanowire are made out of monolithic single crystal. Strong reduction of thermal conductance has been obtained in serpentine nanowire where the transport of ballistic phonons is blocked. Moreover, in corrugated silicon nanowire, we showed that the corrugations induce significant backscattering of phonon that severely reduces the mean free path, beating in some cases, the Casimir limit. These experiments demonstrate the ability to manipulate ballistic phonons by adjusting the geometry of thermal conductors, and hence manipulate heat transfer. Finally, the use of these new concepts of engineering ballistic phonons at the nanoscale allows considering the development of new nanostructured materials for thermoelectrics at room temperature, opening exciting prospects for future applications in the energy recovery. J.-S. Heron, T. Fournier, N. Mingo and O. Bourgeois, Nano Letters 9, 1861 (2009). J-S. Heron, C. Bera, T. Fournier, N. Mingo, and O. Bourgeois, Phys. Rev. B 82, 155458 (2010). C. Blanc, A. Rajabpour, S. Volz, T. Fournier, and O

  14. Electron-phonon interaction model and prediction of thermal energy transport in SOI transistor.

    PubMed

    Jin, Jae Sik; Lee, Joon Sik

    2007-11-01

    An electron-phonon interaction model is proposed and applied to thermal transport in semiconductors at micro/nanoscales. The high electron energy induced by the electric field in a transistor is transferred to the phonon system through electron-phonon interaction in the high field region of the transistor. Due to this fact, a hot spot occurs, which is much smaller than the phonon mean free path in the Si-layer. The full phonon dispersion model based on the Boltzmann transport equation (BTE) with the relaxation time approximation is applied for the interactions among different phonon branches and different phonon frequencies. The Joule heating by the electron-phonon scattering is modeled through the intervalley and intravalley processes for silicon by introducing average electron energy. The simulation results are compared with those obtained by the full phonon dispersion model which treats the electron-phonon scattering as a volumetric heat source. The comparison shows that the peak temperature in the hot spot region is considerably higher and more localized than the previous results. The thermal characteristics of each phonon mode are useful to explain the above phenomena. The optical mode phonons of negligible group velocity obtain the highest energy density from electrons, and resides in the hot spot region without any contribution to heat transport, which results in a higher temperature in that region. Since the acoustic phonons with low group velocity show the higher energy density after electron-phonon scattering, they induce more localized heating near the hot spot region. The ballistic features are strongly observed when phonon-phonon scattering rates are lower than 4 x 10(10) S(-1).

  15. Thermal transport in dimerized harmonic lattices: Exact solution, crossover behavior, and extended reservoirs

    NASA Astrophysics Data System (ADS)

    Chien, Chih-Chun; Kouachi, Said; Velizhanin, Kirill A.; Dubi, Yonatan; Zwolak, Michael

    2017-01-01

    We present a method for calculating analytically the thermal conductance of a classical harmonic lattice with both alternating masses and nearest-neighbor couplings when placed between individual Langevin reservoirs at different temperatures. The method utilizes recent advances in analytic diagonalization techniques for certain classes of tridiagonal matrices. It recovers the results from a previous method that was applicable for alternating on-site parameters only, and extends the applicability to realistic systems in which masses and couplings alternate simultaneously. With this analytic result in hand, we show that the thermal conductance is highly sensitive to the modulation of the couplings. This is due to the existence of topologically induced edge modes at the lattice-reservoir interface and is also a reflection of the symmetries of the lattice. We make a connection to a recent work that demonstrates thermal transport is analogous to chemical reaction rates in solution given by Kramers' theory [Velizhanin et al., Sci. Rep. 5, 17506 (2015)], 10.1038/srep17506. In particular, we show that the turnover behavior in the presence of edge modes prevents calculations based on single-site reservoirs from coming close to the natural—or intrinsic—conductance of the lattice. Obtaining the correct value of the intrinsic conductance through simulation of even a small lattice where ballistic effects are important requires quite large extended reservoir regions. Our results thus offer a route for both the design and proper simulation of thermal conductance of nanoscale devices.

  16. Two-dimensional nanoscale correlations in the strong negative thermal expansion material ScF 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Handunkanda, Sahan U.; Occhialini, Connor A.; Said, Ayman H.

    We present diffuse x-ray scattering data on the strong negative thermal expansion (NTE) material ScF3 and find that two-dimensional nanoscale correlations exist at momentum-space regions associated with possibly rigid rotations of the perovskite octahedra. We address the extent to which rigid octahedral motion describes the dynamical fluctuations behind NTE by generalizing a simple model supporting a single floppy mode that is often used to heuristically describe instances of NTE. We find this model has tendencies toward dynamic inhomogeneities and its application to recent and existing experimental data suggest an intricate link between the nanometer correlation length scale, the energy scalemore » for octahedral tilt fluctuations, and the coefficient of thermal expansion in ScF3. We then investigate the breakdown of the rigid limit and propose a resolution to an outstanding debate concerning the role of molecular rigidity in strong NTE materials.« less

  17. Thermal performance and heat transport in aquifer thermal energy storage

    NASA Astrophysics Data System (ADS)

    Sommer, W. T.; Doornenbal, P. J.; Drijver, B. C.; van Gaans, P. F. M.; Leusbrock, I.; Grotenhuis, J. T. C.; Rijnaarts, H. H. M.

    2014-01-01

    Aquifer thermal energy storage (ATES) is used for seasonal storage of large quantities of thermal energy. Due to the increasing demand for sustainable energy, the number of ATES systems has increased rapidly, which has raised questions on the effect of ATES systems on their surroundings as well as their thermal performance. Furthermore, the increasing density of systems generates concern regarding thermal interference between the wells of one system and between neighboring systems. An assessment is made of (1) the thermal storage performance, and (2) the heat transport around the wells of an existing ATES system in the Netherlands. Reconstruction of flow rates and injection and extraction temperatures from hourly logs of operational data from 2005 to 2012 show that the average thermal recovery is 82 % for cold storage and 68 % for heat storage. Subsurface heat transport is monitored using distributed temperature sensing. Although the measurements reveal unequal distribution of flow rate over different parts of the well screen and preferential flow due to aquifer heterogeneity, sufficient well spacing has avoided thermal interference. However, oversizing of well spacing may limit the number of systems that can be realized in an area and lower the potential of ATES.

  18. Nonlocal thermal transport across embedded few-layer graphene sheets

    DOE PAGES

    Liu, Ying; Huxtable, Scott T.; Yang, Bao; ...

    2014-11-13

    Thermal transport across the interfaces between few-layer graphene sheets and soft materials exhibits intriguing anomalies when interpreted using the classical Kapitza model, e.g., the conductance of the same interface differs greatly for different modes of interfacial thermal transport. Using atomistic simulations, we show that such thermal transport follows a nonlocal flux-temperature drop constitutive law and is characterized jointly by a quasi-local conductance and a nonlocal conductance instead of the classical Kapitza conductance. Lastly, the nonlocal model enables rationalization of many anomalies of the thermal transport across embedded few-layer graphene sheets and should be used in studies of interfacial thermal transportmore » involving few-layer graphene sheets or other ultra-thin layered materials.« less

  19. Recent progress in understanding electron thermal transport in NSTX

    DOE PAGES

    Ren, Y.; Belova, E.; Gorelenkov, N.; ...

    2017-03-10

    The anomalous level of electron thermal transport inferred in magnetically confined configurations is one of the most challenging problems for the ultimate realization of fusion power using toroidal devices: tokamaks, spherical tori and stellarators. It is generally believed that plasma instabilities driven by the abundant free energy in fusion plasmas are responsible for the electron thermal transport. The National Spherical Torus eXperiment (NSTX) (Ono et al 2000 Nucl. Fusion 40 557) provides a unique laboratory for studying plasma instabilities and their relation to electron thermal transport due to its low toroidal field, high plasma beta, low aspect ratio and largemore » ExB flow shear. Recent findings on NSTX have shown that multiple instabilities are required to explain observed electron thermal transport, given the wide range of equilibrium parameters due to different operational scenarios and radial regions in fusion plasmas. Here we review the recent progresses in understanding anomalous electron thermal transport in NSTX and focus on mechanisms that could drive electron thermal transport in the core region. The synergy between experiment and theoretical/ numerical modeling is essential to achieving these progresses. The plans for newly commissioned NSTX-Upgrade will also be discussed.« less

  20. Reduced thermal conductivity by nanoscale intergrowths in perovskite like layered structure La{sub 2}Ti{sub 2}O{sub 7}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Khaliq, Jibran; Chen, Kan; Li, Chunchun

    2015-02-21

    The effect of substitution and oxidation-reduction on the thermal conductivity of perovskite-like layered structure (PLS) ceramics was investigated in relation to mass contrast and non-stoichiometry. Sr (acceptor) was substituted on the A site, while Ta (donor) was substituted on the B site of La{sub 2}Ti{sub 2}O{sub 7}. Substitution in PLS materials creates atomic scale disorders to accommodate the non-stoichiometry. High resolution transmission electron microscopy and X ray diffraction revealed that acceptor substitution in La{sub 2}Ti{sub 2}O{sub 7} produced nanoscale intergrowths of n = 5 layered phase, while donor substitution produced nanoscale intergrowths of n = 3 layered phase. As a result of these nanoscalemore » intergrowths, the thermal conductivity value reduced by as much as ∼20%. Pure La{sub 2}Ti{sub 2}O{sub 7} has a thermal conductivity value of ∼1.3 W/m K which dropped to a value of ∼1.12 W/m K for Sr doped La{sub 2}Ti{sub 2}O{sub 7} and ∼0.93 W/m K for Ta doped La{sub 2}Ti{sub 2}O{sub 7} at 573 K.« less

  1. Nanoscale Electronic Transport Studies of Novel Strongly Correlated Materials

    NASA Astrophysics Data System (ADS)

    Hardy, Will J.

    Strongly correlated materials are those in which the electron-electron and electron-lattice interactions play pivotal roles in determining many aspects of observable physical behavior, including the electronic and magnetic properties. In this thesis, I describe electronic transport studies of novel strongly correlated materials at the nanoscale. After introducing some basic concepts, briefly reviewing historical development of the field, and discussing the process of making measurements on small length scales, I detail experimental results from studies of four specific materials: two transition metal oxide systems, and two layered transition metal dichalcogenides with intercalated magnetic moments. The first system is a modified version of a classic strongly correlated material, vanadium dioxide (VO2), which here is doped with hydrogen to suppress its metal-insulator transition and stabilize a poorly metallic phase down to liquid helium temperatures. Doped VO2 nanowires, micron flakes, and thin films display magnetoresistance (MR) consistent with weak localization physics, along with mesoscopic resistance fluctuations over short distances, raising questions about how to model transport in bad-metal correlated systems. A second transition metal oxide system is considered next: Quantum wells in SrTiO3 sandwiched between layers of SmTiO3, in which anomalous voltage fluctuation behavior is observed in etched nanostructures at low temperatures. After well-understood alternative origins are ruled out, an explanation is proposed involving a time-varying thermopower due to two-level fluctuations of etching-induced defects. Next, I shift to the topic of layered itinerant magnetic materials with intercalated moments, starting with Fe0.28TaS 2, a hard ferromagnet (FM) with strong spin-orbit coupling. Here, a surprisingly large MR of nearly 70% is observed, an especially striking feature given that the closely related compounds at Fe intercalation fractions of 1/4 or 1/3 have

  2. Model Comparison for Electron Thermal Transport

    NASA Astrophysics Data System (ADS)

    Moses, Gregory; Chenhall, Jeffrey; Cao, Duc; Delettrez, Jacques

    2015-11-01

    Four electron thermal transport models are compared for their ability to accurately and efficiently model non-local behavior in ICF simulations. Goncharov's transport model has accurately predicted shock timing in implosion simulations but is computationally slow and limited to 1D. The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. uses multigroup diffusion to speed up the calculation. Chenhall has expanded upon the iSNB diffusion model to a higher order simplified P3 approximation and a Monte Carlo transport model, to bridge the gap between the iSNB and Goncharov models while maintaining computational efficiency. Comparisons of the above models for several test problems will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

  3. Dynamic structural disorder in supported nanoscale catalysts

    NASA Astrophysics Data System (ADS)

    Rehr, J. J.; Vila, F. D.

    2014-04-01

    We investigate the origin and physical effects of "dynamic structural disorder" (DSD) in supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials, nano-scale systems exhibit substantial fluctuations in structure, charge, temperature, and other quantities, as well as large surface effects. The DSD is driven largely by the stochastic librational motion of the center of mass and fluxional bonding at the nanoparticle surface due to thermal coupling with the substrate. Our approach for calculating and understanding DSD is based on a combination of real-time density functional theory/molecular dynamics simulations, transient coupled-oscillator models, and statistical mechanics. This approach treats thermal and dynamic effects over multiple time-scales, and includes bond-stretching and -bending vibrations, and transient tethering to the substrate at longer ps time-scales. Potential effects on the catalytic properties of these clusters are briefly explored. Model calculations of molecule-cluster interactions and molecular dissociation reaction paths are presented in which the reactant molecules are adsorbed on the surface of dynamically sampled clusters. This model suggests that DSD can affect both the prefactors and distribution of energy barriers in reaction rates, and thus can significantly affect catalytic activity at the nano-scale.

  4. Surface effects on the thermal conductivity of silicon nanowires

    NASA Astrophysics Data System (ADS)

    Li, Hai-Peng; Zhang, Rui-Qin

    2018-03-01

    Thermal transport in silicon nanowires (SiNWs) has recently attracted considerable attention due to their potential applications in energy harvesting and generation and thermal management. The adjustment of the thermal conductivity of SiNWs through surface effects is a topic worthy of focus. In this paper, we briefly review the recent progress made in this field through theoretical calculations and experiments. We come to the conclusion that surface engineering methods are feasible and effective methods for adjusting nanoscale thermal transport and may foster further advancements in this field. Project supported by the National Natural Science Foundation ofChina (Grant No. 11504418), China Scholarship Council (Grant No. 201706425053), Basic Research Program in Shenzhen, China (Grant No. JCYJ20160229165210666), and the Fundamental Research Funds for the Central Universities of China (Grant No. 2015XKMS075).

  5. Elastic mismatch induced reduction of the thermal conductivity of silicon with aluminum nano-inclusions

    NASA Astrophysics Data System (ADS)

    Donovan, Brian F.; Jensen, Wade A.; Chen, Long; Giri, Ashutosh; Poon, S. Joseph; Floro, Jerrold A.; Hopkins, Patrick E.

    2018-05-01

    We use aluminum nano-inclusions in silicon to demonstrate the dominance of elastic modulus mismatch induced scattering in phonon transport. We use time domain thermoreflectance to measure the thermal conductivity of thin films of silicon co-deposited with aluminum via molecular beam epitaxy resulting in a Si film with 10% clustered Al inclusions with nanoscale dimensions and a reduction in thermal conductivity of over an order of magnitude. We compare these results with well-known models in order to demonstrate that the reduction in the thermal transport is driven by elastic mismatch effects induced by aluminum in the system.

  6. Thermal Transport in Diamond Films for Electronics Thermal Management

    DTIC Science & Technology

    2018-03-01

    AFRL-RY-WP-TR-2017-0219 THERMAL TRANSPORT IN DIAMOND FILMS FOR ELECTRONICS THERMAL MANAGEMENT Samuel Graham Georgia Institute of Technology MARCH...general public, including foreign nationals. Copies may be obtained from the Defense Technical Information Center (DTIC) (http://www.dtic.mil...Signature// JOHN D. BLEVINS, Program Manager ROSS W. DETTMER, Chief Devices for Sensing Branch Devices for Sensing Branch Aerospace Components

  7. Sensitivity of thermal transport in thorium dioxide to defects

    NASA Astrophysics Data System (ADS)

    Park, Jungkyu; Farfán, Eduardo B.; Mitchell, Katherine; Resnick, Alex; Enriquez, Christian; Yee, Tien

    2018-06-01

    In this research, the reverse non-equilibrium molecular dynamics is employed to investigate the effect of vacancy and substitutional defects on the thermal transport in thorium dioxide (ThO2). Vacancy defects are shown to severely alter the thermal conductivity of ThO2. The thermal conductivity of ThO2 decreases significantly with increasing the defect concentration of oxygen vacancy; the thermal conductivity of ThO2 decreases by 20% when 0.1% oxygen vacancy defects are introduced in the 100 unit cells of ThO2. The effect of thorium vacancy defect on the thermal transport in ThO2 is even more detrimental; ThO2 with 0.1% thorium vacancy defect concentration exhibits a 38.2% reduction in its thermal conductivity and the thermal conductivity becomes only 8.2% of that of the pristine sample when the thorium vacancy defect concentration is increased to 5%. In addition, neutron activation of thorium produces uranium and this uranium substitutional defects in ThO2 are observed to affect the thermal transport in ThO2 marginally when compared to vacancy defects. This indicates that in the thorium fuel cycle, fissile products such as 233U is not likely to alter the thermal transport in ThO2 fuel.

  8. Impact of Subsurface Heterogeneities on nano-Scale Zero Valent Iron Transport

    NASA Astrophysics Data System (ADS)

    Krol, M. M.; Sleep, B. E.; O'Carroll, D. M.

    2011-12-01

    Nano-scale zero valent iron (nZVI) has been applied as a remediation technology at sites contaminated with chlorinated compounds and heavy metals. Although laboratory studies have demonstrated high reactivity for the degradation of target contaminants, the success of nZVI in the field has been limited due to poor subsurface mobility. When injected into the subsurface, nZVI tends to aggregate and be retained by subsurface soils. As such nZVI suspensions need to be stabilized for increased mobility. However, even with stabilization, soil heterogeneities can still lead to non-uniform nZVI transport, resulting in poor distribution and consequently decreased degradation of target compounds. Understanding how nZVI transport can be affected by subsurface heterogeneities can aid in improving the technology. This can be done with the use of a numerical model which can simulate nZVI transport. In this study CompSim, a finite difference groundwater model, is used to simulate the movement of nZVI in a two-dimensional domain. CompSim has been shown in previous studies to accurately predict nZVI movement in the subsurface, and is used in this study to examine the impact of soil heterogeneity on nZVI transport. This work also explores the impact of different viscosities of the injected nZVI suspensions (corresponding to different stabilizing polymers) and injection rates on nZVI mobility. Analysis metrics include travel time, travel distance, and average nZVI concentrations. Improving our understanding of the influence of soil heterogeneity on nZVI transport will lead to improved field scale implementation and, potentially, to more effective remediation of contaminated sites.

  9. Impact of polymer electrolyte membrane fuel cell microporous layer nano-scale features on thermal conductance

    NASA Astrophysics Data System (ADS)

    Botelho, S. J.; Bazylak, A.

    2015-04-01

    In this study, the microporous layer (MPL) of the polymer electrolyte membrane (PEM) fuel cell was analysed at the nano-scale. Atomic force microscopy (AFM) was utilized to image the top layer of MPL particles, and a curve fitting algorithm was used to determine the particle size and filling radius distributions for SGL-10BB and SGL-10BC. The particles in SGL-10BC (approximately 60 nm in diameter) have been found to be larger than those in SGL-10BB (approximately 40 nm in diameter), highlighting structural variability between the two materials. The impact of the MPL particle interactions on the effective thermal conductivity of the bulk MPL was analysed using a discretization of the Fourier equation with the Gauss-Seidel iterative method. It was found that the particle spacing and filling radius dominates the effective thermal conductivity, a result which provides valuable insight for future MPL design.

  10. Imaging Spatial Variations in the Dissipation and Transport of Thermal Energy within Individual Silicon Nanowires Using Ultrafast Microscopy.

    PubMed

    Cating, Emma E M; Pinion, Christopher W; Van Goethem, Erika M; Gabriel, Michelle M; Cahoon, James F; Papanikolas, John M

    2016-01-13

    Thermal management is an important consideration for most nanoelectronic devices, and an understanding of the thermal conductivity of individual device components is critical for the design of thermally efficient systems. However, it can be difficult to directly probe local changes in thermal conductivity within a nanoscale system. Here, we utilize the time-resolved and diffraction-limited imaging capabilities of ultrafast pump-probe microscopy to determine, in a contact-free configuration, the local thermal conductivity in individual Si nanowires (NWs). By suspending single NWs across microfabricated trenches in a quartz substrate, the properties of the same NW both on and off the substrate are directly compared. We find the substrate has no effect on the recombination lifetime or diffusion length of photogenerated charge carriers; however, it significantly impacts the thermal relaxation properties of the NW. In substrate-supported regions, thermal energy deposited into the lattice by the ultrafast laser pulse dissipates within ∼10 ns through thermal diffusion and coupling to the substrate. In suspended regions, the thermal energy persists for over 100 ns, and we directly image the time-resolved spatial motion of the thermal signal. Quantitative analysis of the transient images permits direct determination of the NW's local thermal conductivity, which we find to be a factor of ∼4 smaller than in bulk Si. Our results point to the strong potential of pump-probe microscopy to be used as an all-optical method to quantify the effects of localized environment and morphology on the thermal transport characteristics of individual nanostructured components.

  11. Programmable permanent data storage characteristics of nanoscale thin films of a thermally stable aromatic polyimide.

    PubMed

    Kim, Dong Min; Park, Samdae; Lee, Taek Joon; Hahm, Suk Gyu; Kim, Kyungtae; Kim, Jin Chul; Kwon, Wonsang; Ree, Moonhor

    2009-10-06

    We have synthesized a new thermally and dimensionally stable polyimide, poly(4,4'-amino(4-hydroxyphenyl)diphenylene hexafluoroisopropylidenediphthalimide) (6F-HTPA PI). 6F-HTPA PI is soluble in organic solvents and is thus easily processed with conventional solution coating techniques to produce good quality nanoscale thin films. Devices fabricated with nanoscale thin PI films with thicknesses less than 77 nm exhibit excellent unipolar write-once-read-many-times (WORM) memory behavior with a high ON/OFF current ratio of up to 10(6), a long retention time and low power consumption, less than +/-3.0 V. Furthermore, these WORM characteristics were found to persist even at high temperatures up to 150 degrees C. The WORM memory behavior was found to be governed by trap-limited space-charge limited conduction and local filament formation. The conduction processes are dominated by hole injection. Thus the hydroxytriphenylamine moieties of the PI polymer might play a key role as hole trapping sites in the observed WORM memory behavior. The properties of 6F-HTPA PI make it a promising material for high-density and very stable programmable permanent data storage devices with low power consumption.

  12. Anisotropy Enhancement of Thermal Energy Transport in Supported Black Phosphorene.

    PubMed

    Chen, Jige; Chen, Shunda; Gao, Yi

    2016-07-07

    Thermal anisotropy along the basal plane of materials possesses both theoretical importance and application value in thermal transport and thermoelectricity. Though common two-dimensional materials may exhibit in-plane thermal anisotropy when suspended, thermal anisotropy would often disappear when supported on a substrate. In this Letter, we find a strong anisotropy enhancement of thermal energy transport in supported black phosphorene. The chiral preference of energy transport in the zigzag rather than the armchair direction is greatly enhanced by coupling to the substrate, up to a factor of approximately 2-fold compared to the suspended one. The enhancement originates from its puckered lattice structure, where the nonplanar armchair energy transport relies on the out-of-plane corrugation and thus would be hindered by the flexural suppression due to the substrate, while the planar zigzag energy transport is not. As a result, thermal conductivity of supported black phosphorene shows a consistent anisotropy enhancement under different temperatures and substrate coupling strengths.

  13. Selective Nanoscale Mass Transport across Atomically Thin Single Crystalline Graphene Membranes.

    PubMed

    Kidambi, Piran R; Boutilier, Michael S H; Wang, Luda; Jang, Doojoon; Kim, Jeehwan; Karnik, Rohit

    2017-05-01

    Atomically thin single crystals, without grain boundaries and associated defect clusters, represent ideal systems to study and understand intrinsic defects in materials, but probing them collectively over large area remains nontrivial. In this study, the authors probe nanoscale mass transport across large-area (≈0.2 cm 2 ) single-crystalline graphene membranes. A novel, polymer-free picture frame assisted technique, coupled with a stress-inducing nickel layer is used to transfer single crystalline graphene grown on silicon carbide substrates to flexible polycarbonate track etched supports with well-defined cylindrical ≈200 nm pores. Diffusion-driven flow shows selective transport of ≈0.66 nm hydrated K + and Cl - ions over ≈1 nm sized small molecules, indicating the presence of selective sub-nanometer to nanometer sized defects. This work presents a framework to test the barrier properties and intrinsic quality of atomically thin materials at the sub-nanometer to nanometer scale over technologically relevant large areas, and suggests the potential use of intrinsic defects in atomically thin materials for molecular separations or desalting. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Laser heating of scanning probe tips for thermal near-field spectroscopy and imaging

    NASA Astrophysics Data System (ADS)

    O'Callahan, Brian T.; Raschke, Markus B.

    2017-02-01

    Spectroscopy and microscopy of the thermal near-field yield valuable insight into the mechanisms of resonant near-field heat transfer and Casimir and Casimir-Polder forces, as well as providing nanoscale spatial resolution for infrared vibrational spectroscopy. A heated scanning probe tip brought close to a sample surface can excite and probe the thermal near-field. Typically, tip temperature control is provided by resistive heating of the tip cantilever. However, this requires specialized tips with limited temperature range and temporal response. By focusing laser radiation onto AFM cantilevers, we achieve heating up to ˜1800 K, with millisecond thermal response time. We demonstrate application to thermal infrared near-field spectroscopy (TINS) by acquiring near-field spectra of the vibrational resonances of silicon carbide, hexagonal boron nitride, and polytetrafluoroethylene. We discuss the thermal response as a function of the incident excitation laser power and model the dominant cooling contributions. Our results provide a basis for laser heating as a viable approach for TINS, nanoscale thermal transport measurements, and thermal desorption nano-spectroscopy.

  15. Transport of thermal water from well to thermal baths

    NASA Astrophysics Data System (ADS)

    Montegrossi, Giordano; Vaselli, Orlando; Tassi, Franco; Nocentini, Matteo; Liccioli, Caterina; Nisi, Barbara

    2013-04-01

    The main problem in building a thermal bath is having a hot spring or a thermal well located in an appropriate position for customer access; since Roman age, thermal baths were distributed in the whole empire and often road and cities were built all around afterwards. Nowadays, the perspectives are changed and occasionally the thermal resource is required to be transported with a pipeline system from the main source to the spa. Nevertheless, the geothermal fluid may show problems of corrosion and scaling during transport. In the Ambra valley, central Italy, a geothermal well has recently been drilled and it discharges a Ca(Mg)-SO4, CO2-rich water at the temperature of 41 °C, that could be used for supplying a new spa in the surrounding areas of the well itself. The main problem is that the producing well is located in a forest tree ca. 4 km far away from the nearest structure suitable to host the thermal bath. In this study, we illustrate the pipeline design from the producing well to the spa, constraining the physical and geochemical parameters to reduce scaling and corrosion phenomena. The starting point is the thermal well that has a flow rate ranging from 22 up to 25 L/sec. The thermal fluid is heavily precipitating calcite (50-100 ton/month) due to the calcite-CO2 equilibrium in the reservoir, where a partial pressure of 11 bar of CO2 is present. One of the most vexing problems in investigating scaling processed during the fluid transport in the pipeline is that there is not a proper software package for multiphase fluid flow in pipes characterized by such a complex chemistry. As a consequence, we used a modified TOUGHREACT with Pitzer database, arranged to use Darcy-Weisbach equation, and applying "fictitious" material properties in order to give the proper y- z- velocity profile in comparison to the analytical solution for laminar fluid flow in pipes. This investigation gave as a result the lowest CO2 partial pressure to be kept in the pipeline (nearly 2

  16. Diffraction phase microscopy imaging and multi-physics modeling of the nanoscale thermal expansion of a suspended resistor.

    PubMed

    Wang, Xiaozhen; Lu, Tianjian; Yu, Xin; Jin, Jian-Ming; Goddard, Lynford L

    2017-07-04

    We studied the nanoscale thermal expansion of a suspended resistor both theoretically and experimentally and obtained consistent results. In the theoretical analysis, we used a three-dimensional coupled electrical-thermal-mechanical simulation and obtained the temperature and displacement field of the suspended resistor under a direct current (DC) input voltage. In the experiment, we recorded a sequence of images of the axial thermal expansion of the central bridge region of the suspended resistor at a rate of 1.8 frames/s by using epi-illumination diffraction phase microscopy (epi-DPM). This method accurately measured nanometer level relative height changes of the resistor in a temporally and spatially resolved manner. Upon application of a 2 V step in voltage, the resistor exhibited a steady-state increase in resistance of 1.14 Ω and in relative height of 3.5 nm, which agreed reasonably well with the predicted values of 1.08 Ω and 4.4 nm, respectively.

  17. Nano-Scale Hydroxyapatite: Synthesis, Two-Dimensional Transport Experiments, and Application for Uranium Remediation

    DOE PAGES

    Kanel, S. R.; Clement, T. P.; Barnett, M. O.; ...

    2011-01-01

    Synthetic nano-scale hydroxyapatite (NHA) was prepared and characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM) methods. The XRD data confirmed that the crystalline structure and chemical composition of NHA correspond to Ca 5 OH(PO 4 ) 3 . The SEM data confirmed the size of NHA to be less than 50 nm. A two-dimensional physical model packed with saturated porous media was used to study the transport characteristics of NHA under constant flow conditions. The data show that the transport patterns of NHA were almost identical to tracer transport patterns. This result indicates that the NHA material can movemore » with water like a tracer, and its movement was neither retarded nor influenced by any physicochemical interactions and/or density effects. We have also tested the reactivity of NHA with 1 mg/L hexavalent uranium (U(VI)) and found that complete removal of U(VI) is possible using 0.5 g/L NHA at pH 5 to 6. Our results demonstrate that NHA has the potential to be injected as a dilute slurry for in situ treatment of U(VI)-contaminated groundwater systems.« less

  18. Probing and manipulating magnetization at the nanoscale

    NASA Astrophysics Data System (ADS)

    Samarth, Nitin

    2012-02-01

    Combining semiconductors with magnetism in hetero- and nano-structured geometries provides a powerful means of exploring the interplay between spin-dependent transport and nanoscale magnetism. We describe two recent studies in this context. First, we use spin-dependent transport in ferromagnetic semiconductor thin films to provide a new window into nanoscale magnetism [1]: here, we exploit the large anomalous Hall effect in a ferromagnetic semiconductor as a nanoscale probe of the reversible elastic behavior of magnetic domain walls and gain insight into regimes of domain wall behavior inaccessible to more conventional optical techniques. Next, we describe novel ways to create self-assembled hybrid semiconductor/ferromagnet core-shell nanowires [2] and show how magnetoresistance measurements in single nanowires, coupled with micromagnetic simulations, can provide detailed insights into the magnetization reversal process in nanoscale ferromagnets [3]. The work described here was carried out in collaboration with Andrew Balk, Jing Liang, Nicholas Dellas, Mark Nowakowski, David Rench, Mark Wilson, Roman Engel-Herbert, Suzanne Mohney, Peter Schiffer and David Awschalom. This work is supported by ONR, NSF and the NSF-MRSEC program.[4pt] [1] A. L. Balk et al., Phys. Rev.Lett. 107, 077205 (2011).[0pt] [2] N. J. Dellas et al., Appl. Phys. Lett. 97, 072505 (2010).[0pt] [3] J. Liang et al., in preparation.

  19. Room-temperature voltage tunable phonon thermal conductivity via reconfigurable interfaces in ferroelectric thin films.

    PubMed

    Ihlefeld, Jon F; Foley, Brian M; Scrymgeour, David A; Michael, Joseph R; McKenzie, Bonnie B; Medlin, Douglas L; Wallace, Margeaux; Trolier-McKinstry, Susan; Hopkins, Patrick E

    2015-03-11

    Dynamic control of thermal transport in solid-state systems is a transformative capability with the promise to propel technologies including phononic logic, thermal management, and energy harvesting. A solid-state solution to rapidly manipulate phonons has escaped the scientific community. We demonstrate active and reversible tuning of thermal conductivity by manipulating the nanoscale ferroelastic domain structure of a Pb(Zr0.3Ti0.7)O3 film with applied electric fields. With subsecond response times, the room-temperature thermal conductivity was modulated by 11%.

  20. Bench-scale synthesis of nanoscale materials

    NASA Technical Reports Server (NTRS)

    Buehler, M. F.; Darab, J. G.; Matson, D. W.; Linehan, J. C.

    1994-01-01

    A novel flow-through hydrothermal method used to synthesize nanoscale powders is introduced by Pacific Northwest Laboratory. The process, Rapid Thermal Decomposition of precursors in Solution (RTDS), uniquely combines high-pressure and high-temperature conditions to rapidly form nanoscale particles. The RTDS process was initially demonstrated on a laboratory scale and was subsequently scaled up to accommodate production rates attractive to industry. The process is able to produce a wide variety of metal oxides and oxyhydroxides. The powders are characterized by scanning and transmission electron microscopic methods, surface-area measurements, and x-ray diffraction. Typical crystallite sizes are less than 20 nanometers, with BET surface areas ranging from 100 to 400 sq m/g. A description of the RTDS process is presented along with powder characterization results. In addition, data on the sintering of nanoscale ZrO2 produced by RTDS are included.

  1. Nanoscale thermal imaging of VO2 via Poole-Frenkel conduction

    NASA Astrophysics Data System (ADS)

    Spitzig, Alyson; Hoffman, Jason D.; Pivonka, Adam E.; Mickalide, Harry; Frenzel, Alex; Kim, Jeehoon; Ko, Changhyun; Zhou, You; O'Connor, Kevin; Hudson, Eric W.; Ramanathan, Shriram; Hoffman, Jennifer E.

    We present a novel method for nanoscale thermal imaging of insulating thin films. We demonstrate this method on VO2, which undergoes a sharp insulator-to-metal transition at 340 K. We sweep the voltage applied to a conducting atomic force microscope tip in contact mode at room temperature and measure the resultant current through a VO2 film. The Poole-Frenkel (PF) conduction mechanism, which dominates in the insulating state of VO2, is fit to extract the local temperature of the film using fundamental constants and known film properties. We measure the local electric field and temperature immediately preceding the insulator-to-metal transition in VO2 to determine whether the transition can be triggered by an applied electric field alone. We calculate an average temperature of 334 +/- 5 K, implying that Joule heating has locally warmed the sample very close to the transition temperature. Our thermometry technique opens up the possibility to measure the local temperature of any film dominated by the PF conduction mechanism, and presents the opportunity to extend our technique to other conduction mechanisms. Canada Excellence Research Chair program and NSERC - CGSM.

  2. Engineering Platinum Alloy Electrocatalysts in Nanoscale for PEMFC Application

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    He, Ting

    2016-03-01

    Fuel cells are expected to be a key next-generation energy source used for vehicles and homes, offering high energy conversion efficiency and minimal pollutant emissions. However, due to large overpotentials on anode and cathode, the efficiency is still much lower than theoretically predicted. During the past decades, considerable efforts have been made to investigate synergy effect of platinum alloyed with base metals. But, engineering the alloy particles in nanoscale has been a challenge. Most important challenges in developing nanostructured materials are the abilities to control size, monodispersity, microcomposition, and even morphology or self-assembly capability, so called Nanomaterials-by-Design, which requires interdisciplinarymore » collaborations among computational modeling, chemical synthesis, nanoscale characterization as well as manufacturing processing. Electrocatalysts, particularly fuel cell catalysts, are dramatically different from heterogeneous catalysts because the surface area in micropores cannot be electrochemically controlled on the same time scale as more transport accessible surfaces. Therefore, electrocatalytic architectures need minimal microporous surface area while maximizing surfaces accessible through mesopores or macropores, and to "pin" the most active, highest performance physicochemical state of the materials even when exposed to thermodynamic forces, which would otherwise drive restructuring, crystallization, or densification of the nanoscale materials. In this presentation, results of engineering nanoscale platinum alloy particles down to 2 ~ 4 nm will be discussed. Based on nature of alloyed base metals, various synthesis technologies have been studied and developed to achieve capabilities of controlling particle size and particle microcomposition, namely, core-shell synthesis, microemulsion technique, thermal decomposition process, surface organometallic chemical method, etc. The results show that by careful engineering

  3. Electronic thermal transport in strongly correlated multilayered nanostructures

    NASA Astrophysics Data System (ADS)

    Freericks, J. K.; Zlatić, V.; Shvaika, A. M.

    2007-01-01

    The formalism for a linear-response many-body treatment of the electronic contributions to thermal transport is developed for multilayered nanostructures. By properly determining the local heat-current operator, it is possible to show that the Jonson-Mahan theorem for the bulk can be extended to inhomogeneous problems, so the various thermal-transport coefficient integrands are related by powers of frequency (including all effects of vertex corrections when appropriate). We illustrate how to use this formalism by showing how it applies to measurements of the Peltier effect, the Seebeck effect, and the thermal conductance.

  4. The influence of thermal and conductive temperatures in a nanoscale resonator

    NASA Astrophysics Data System (ADS)

    Hobiny, Aatef; Abbas, Ibrahim A.

    2018-06-01

    In this work, the thermoelastic interaction in a nano-scale resonator based on two-temperature Green-Naghdi model is established. The nanoscale resonator ends were simply supported. In the Laplace's domain, the analytical solution of conductivity temperature and thermodynamic temperature, the displacement and the stress components are obtained. The eigenvalue approach resorted to for solutions. In the vector-matrix differential equations form, the essential equations were written. The numerical results for all variables are presented and are illustrated graphically.

  5. Electron Transport Modeling of Molecular Nanoscale Bridges Used in Energy Conversion Schemes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dunietz, Barry D

    2016-08-09

    The goal of the research program is to reliably describe electron transport and transfer processes at the molecular level. Such insight is essential for improving molecular applications of solar and thermal energy conversion. We develop electronic structure models to study (1) photoinduced electron transfer and transport processes in organic semiconducting materials, and (2) charge and heat transport through molecular bridges. We seek fundamental understanding of key processes, which lead to design new experiments and ultimately to achieve systems with improved properties.

  6. Turbulent Channel Flow Measurements with a Nano-scale Thermal Anemometry Probe

    NASA Astrophysics Data System (ADS)

    Bailey, Sean; Witte, Brandon

    2014-11-01

    Using a Nano-scale Thermal Anemometry Probe (NSTAP), streamwise velocity was measured in a turbulent channel flow wind tunnel at Reynolds numbers ranging from Reτ = 500 to Reτ = 4000 . Use of these probes results in the a sensing-length-to-viscous-length-scale ratio of just 5 at the highest Reynolds number measured. Thus measured results can be considered free of spatial filtering effects. Point statistics are compared to recently published DNS and LDV data at similar Reynolds numbers and the results are found to be in good agreement. However, comparison of the measured spectra provide further evidence of aliasing at long wavelengths due to application of Taylor's frozen flow hypothesis, with increased aliasing evident with increasing Reynolds numbers. In addition to conventional point statistics, the dissipative scales of turbulence are investigated with focus on the wall-dependent scaling. Results support the existence of a universal pdf distribution of these scales once scaled to account for large-scale anisotropy. This research is supported by KSEF Award KSEF-2685-RDE-015.

  7. Ion concentration in micro and nanoscale electrospray emitters.

    PubMed

    Yuill, Elizabeth M; Baker, Lane A

    2018-06-01

    Solution-phase ion transport during electrospray has been characterized for nanopipettes, or glass capillaries pulled to nanoscale tip dimensions, and micron-sized electrospray ionization emitters. Direct visualization of charged fluorophores during the electrospray process is used to evaluate impacts of emitter size, ionic strength, analyte size, and pressure-driven flow on heterogeneous ion transport during electrospray. Mass spectrometric measurements of positively- and negatively-charged proteins were taken for micron-sized and nanopipette emitters under low ionic strength conditions to further illustrate a discrepancy in solution-driven transport of charged analytes. A fundamental understanding of analyte electromigration during electrospray, which is not always considered, is expected to provide control over selective analyte depletion and enrichment, and can be harnessed for sample cleanup. Graphical abstract Fluorescence micrographs of ion migration in nanoscale pipettes while solution is electrosprayed.

  8. Nanoscale Thermoelectrics: A Study of the Absolute Seebeck Coefficient of Thin Films

    NASA Astrophysics Data System (ADS)

    Mason, Sarah J.

    The worlds demand for energy is ever increasing. Likewise, the environmental impact of climate change due generating that energy through combustion of fossil fuels is increasingly alarming. Due to these factors new sources of renewable energies are constantly being sought out. Thermoelectric devices have the ability to generate clean, renewable, energy out of waste heat. However promising that is, their inefficiency severely inhibits applicability and practical use. The usefulness of a thermoelectric material increases with the dimensionless quantity, ZT, which depends on the Seebeck coefficient and electrical and thermal conductivity. These characteristic material parameters have interdependent energy transport contributions that classically prohibit the optimization of one with out the detriment of another. Encouraging advancements of ZT have occurred in the past ten years due to the decoupling of the thermal and electrical conductivity. Further advancements are necessary in order to produce applicable devices. One auspicious way of decoupling or tuning energy transport properties, is through size reduction to the nanoscale. However, with reduced dimensions come complications in measuring material properties. Measurements of properties such as the Seebeck coefficient, S, are primarily contingent upon the measurement apparatus. The Seebeck coefficient is defined as the amount of voltage generated by a thermal gradient. Measuring a thermally generated voltage by traditional methods gives, the voltage measured as a linear function of the Seebeck coefficient of the leads and of the material being tested divided by the applied thermal gradient. If accurate values of the Seebeck coefficients of the leads are available, simple subtraction provides the answer. This is rarely the case in nanoscale measurement devices with leads exclusively made from thin film materials that do not have well known bulk-like thermopower values. We have developed a technique to directly

  9. Light-Duty Vehicle Thermal Management | Transportation Research | NREL

    Science.gov Websites

    Light-Duty Vehicle Thermal Management Light-Duty Vehicle Thermal Management Image of a semi transportation options, the lab is working to optimize the thermal management of both electric-drive and fuel per year just to air-condition these LDVs. NREL evaluates the effectiveness of thermal management

  10. Transport of polymer stabilized nano-scale zero-valent iron in porous media

    NASA Astrophysics Data System (ADS)

    Mondal, Pulin K.; Furbacher, Paul D.; Cui, Ziteng; Krol, Magdalena M.; Sleep, Brent E.

    2018-05-01

    This study presents a set of laboratory-scale transport experiments and numerical simulations evaluating carboxymethyl cellulose (CMC) polymer stabilized nano-scale zero-valent iron (nZVI) transport. The experiments, performed in a glass-walled two-dimensional (2D) porous medium system, were conducted to identify the effects of water specific discharge and CMC concentration on nZVI transport and to produce data for model validation. The transport and movement of a tracer lissamine green B® (LGB) dye, CMC, and CMC-nZVI were evaluated through analysis of the breakthrough curves (BTCs) at the outlets, the time-lapsed images of the plume, and retained nZVI in the sandbox. The CMC mass recovery was > 95% when injected alone and about 65% when the CMC-nZVI mixture was used. However, the mean residence time of CMC was significantly higher than that of LGB. Of significance for field implementation, viscous fingering was observed in water displacement of previously injected CMC and CMC-nZVI. The mass recovery of nZVI was lower (< 50%) than CMC recovery due to attachment onto sand grain surfaces. Consecutive CMC-nZVI injections showed higher nZVI recovery in the second injection, a factor to be considered in field trials with successive CMC-nZVI injections. Transport of LGB, CMC, and nZVI were modeled using a flow and transport model considering LGB and CMC as solutes, and nZVI as a colloid, with variable solution viscosity due to changes in CMC concentrations. The simulation results matched the experimental observations and provided estimates of transport parameters, including attachment efficiency, that can be used to predict CMC stabilized nZVI transport in similar porous media, although the extent of viscous fingering may be underpredicted. The experimental and simulation results indicated that increasing specific discharge had a greater effect on decreasing CMC-nZVI attachment efficiency (corresponding to greater possible travel distances in the field) than increasing

  11. Computational modeling and simulation study of electronic and thermal properties in semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Paul, Abhijeet

    2011-07-01

    The technological progress in dimensional scaling has not only kept Silicon CMOS industry on Moore's law for the past five decades but has also benefited many other areas such as thermoelectricity, photo-voltaics, and energy storage. Extending CMOS beyond Si (More Moore, MM) and adding functional diversity to CMOS (More Than Moore, MTM) requires a thorough understanding of the basic electron and heat flow in semiconductors. Along with experiments computer modeling and simulation are playing an increasingly vital role in exploring the numerous possibilities in materials, devices and systems. With these aspects in mind the present work applies computational physics modeling and simulations to explore the, (i) electronic, (ii) thermal, and (iii) thermoelectric properties in nano-scale semiconductors. The electronic structure of zinc-blende and lead-chalcogenide nano-materials is calculated using an atomistic Tight-Binding model. The phonon dispersion in zinc-blende materials is obtained using the Modified Valence Force Field model. Electronic and thermal transport at the nano-scale is explored using Green's function method and Landauer's method. Thermoelectric properties of semiconductor nanostructures are calculated using Landauer's method. Using computer modeling and simulations the variation of the three physical properties (i-iii) are explored with varying size, transport orientation, shape, porosity, strain and alloying of nanostructures. The key findings are, (a) III-Vs and Ge with optimized strain and orientation can improve transistors' and thermoelectric performance, (b) porous Si nanowires provide a lucrative idea for enhancing the thermoelectric efficiency at room temperature, and (c) Si/Ge superlattice nanowires can be used for nano-scale tuning of lattice thermal conductivity by period control. The present work led to the development of two new interface trap density extraction methods in ultra-scaled FinFETs and correlation of the phonon shifts in Si

  12. Thermal Transport Model for Heat Sink Design

    NASA Technical Reports Server (NTRS)

    Chervenak, James A.; Kelley, Richard L.; Brown, Ari D.; Smith, Stephen J.; Kilbourne, Caroline a.

    2009-01-01

    A document discusses the development of a finite element model for describing thermal transport through microcalorimeter arrays in order to assist in heat-sinking design. A fabricated multi-absorber transition edge sensor (PoST) was designed in order to reduce device wiring density by a factor of four. The finite element model consists of breaking the microcalorimeter array into separate elements, including the transition edge sensor (TES) and the silicon substrate on which the sensor is deposited. Each element is then broken up into subelements, whose surface area subtends 10 10 microns. The heat capacity per unit temperature, thermal conductance, and thermal diffusivity of each subelement are the model inputs, as are the temperatures of each subelement. Numerical integration using the Finite in Time Centered in Space algorithm of the thermal diffusion equation is then performed in order to obtain a temporal evolution of the subelement temperature. Thermal transport across interfaces is modeled using a thermal boundary resistance obtained using the acoustic mismatch model. The document concludes with a discussion of the PoST fabrication. PoSTs are novel because they enable incident x-ray position sensitivity with good energy resolution and low wiring density.

  13. Nanoscale magnetic imaging using picosecond thermal gradients

    NASA Astrophysics Data System (ADS)

    Fuchs, Gregory

    Research and development in spintronics is challenged by the lack of table-top magnetic imaging technologies that posses the simultaneous temporal resolution and spatial resolution to characterize magnetization dynamics in emerging spintronic devices. In addition, many of the most exciting magnetic material systems for spintronics are difficult to image with any method. To address this challenge, we developed a spatiotemporal magnetic microscope based on picosecond heat pulses that stroboscopically transduces an in-plane magnetization into a voltage signal. When the magnetic device contains a magnetic metal like FeCoB or NiFe, we use the time-resolved anomalous Nernst effect. When it contains a magnetic insulator/normal metal bilayer like yttrium iron garnet/platinum, we use the combination of the time-resolved longitudinal spin Seebeck effect and the inverse spin Hall effect. We demonstrate that these imaging modalities have time resolutions in the range of 10-100 ps and sensitivities in the range of 0.1 - 0.3° /√{Hz} , which enables not only static magnetic imaging, but also phase-sensitive ferromagnetic resonance imaging. One application of this technology is for magnetic torque vector imaging, which we apply to a spin Hall device. We find an unexpected variation in the spin torque vector that suggests conventional, all-electrical FMR measurements of spin torque vectors can produce a systematic error as large as 30% when quantifying the spin Hall efficiency. Finally, I will describe how time-resolved magnetic imaging can greatly exceed the spatial resolution of optical diffraction. We demonstrate scanning a sharp gold tip to create near-field thermal transfer from a picosecond laser pulse to a magnetic sample as the basis of a nanoscale spatiotemporal microscope. We gratefully acknowledge support from the AFOSR (FA9550-14-1-0243) and the NSF through the Cornell Center for Materials Research (DMR-1120296).

  14. Using high pressure to study thermal transport and phonon scattering mechanisms

    NASA Astrophysics Data System (ADS)

    Hohensee, Gregory Thomas

    The aerospace industry studies nanocomposites for heat dissipation and moderation of thermal expansion, and the semiconductor industry faces a Joule heating barrier in devices with high power density. My primary experimental tools are the diamond anvil cell (DAC) coupled with time-domain thermoreflectance (TDTR). TDTR is a precise optical method well-suited to measuring thermal conductivities and conductances at the nanoscale and across interfaces. The DAC-TDTR method yields thermal property data as a function of pressure, rather than temperature. This relatively unexplored independent variable can separate the components of thermal conductance and serve as an independent test for phonon-defect scattering models. I studied the effect of non-equilibrium thermal transport at the aluminum-coated surface of an exotic cuprate material Ca9La5Cu 24O41, which boasts a tenfold enhanced thermal conductivity along one crystalline axis where two-leg copper-oxygen spin-ladder structures carry heat in the form of thermalized magnetic excitations. Highly anisotropic materials are of interest for controlled thermal management applications, and the spin-ladder magnetic heat carriers ("magnons") are not well understood. I found that below room temperature, the apparent thermal conductivity of Ca9La5Cu24O41 depends on the frequency of the applied surface heating in TDTR. This occurs because the thermal penetration depth in the TDTR experiment is comparable to the length-scale for the equilibration of the magnons that are the dominant channel for heat conduction and the phonons that dominate the heat capacity. I applied a two-temperature model to analyze the TDTR data and extracted an effective volumetric magnon-phonon coupling parameter g for Ca9La5Cu24O 41 at temperatures from 75 K to 300 K; g varies by approximately two orders of magnitude over this range of temperature and has the value g = 1015 W m-3 K-1 near the peak of the thermal conductivity at T ≈ 180 K. To examine

  15. Surface coating with Ca(OH)2 for improvement of the transport of nanoscale zero-valent iron (nZVI) in porous media.

    PubMed

    Wei, Cai-jie; Li, Xiao-yan

    2013-01-01

    A novel thermal deposition method was developed to coat Ca(OH)2 on the surface of nanoscale zero-valent iron (nZVI). The nZVI particles with the Ca(OH)2 coating layer, nZVI/Ca(OH)2, had a clear core-shell structure based on the transmission electron microscopy observations, and the Ca(OH)2 shell was identified as an amorphous phase. The Ca(OH)2 coating shell would not only function as an effective protection layer for nZVI but also improve the mobility of nZVI in porous media for its use in environmental decontamination. A 10% Ca/Fe mass ratio was found to result in a proper thickness of the Ca(OH)2 shell on the nZVI surface. Based on the filtration tests in sand columns, the Ca(OH)2-based surface coating could greatly improve the mobility and transport of nZVI particles in porous media. In addition, batch experiments were conducted to evaluate the reactivity of Ca(OH)2-coated nZVI particles for the reduction of Cr(VI) and its removal from water.

  16. Thermoelectric efficiency of nanoscale devices in the linear regime

    NASA Astrophysics Data System (ADS)

    Bevilacqua, G.; Grosso, G.; Menichetti, G.; Pastori Parravicini, G.

    2016-12-01

    We study quantum transport through two-terminal nanoscale devices in contact with two particle reservoirs at different temperatures and chemical potentials. We discuss the general expressions controlling the electric charge current, heat currents, and the efficiency of energy transmutation in steady conditions in the linear regime. With focus in the parameter domain where the electron system acts as a power generator, we elaborate workable expressions for optimal efficiency and thermoelectric parameters of nanoscale devices. The general concepts are set at work in the paradigmatic cases of Lorentzian resonances and antiresonances, and the encompassing Fano transmission function: the treatments are fully analytic, in terms of the trigamma functions and Bernoulli numbers. From the general curves here reported describing transport through the above model transmission functions, useful guidelines for optimal efficiency and thermopower can be inferred for engineering nanoscale devices in energy regions where they show similar transmission functions.

  17. The impact of hydrogenation on the thermal transport of silicene

    NASA Astrophysics Data System (ADS)

    Liu, Zeyu; Wu, Xufei; Luo, Tengfei

    2017-06-01

    Silicene, the silicon counterpart of graphene, has been identified as a promising 2D material for electronics applications. The reported very low thermal conductivity of silicene can potentially pose challenges on the thermal management of such nanoelectronics, which can in turn influence the device performance and reliability. Although the thermal conductivity of silicene has been studied, the impact of hydrogenation of silicene, which can happen spontaneously due to the resultant lower energy state, on its thermal transport ability is not clear. In this paper, we use first-principles calculations and iterative solution of phonon Boltzmann transport equation (BTE) to investigate and compare the thermal transport property of silicene and hydrogenated silicene. Surprisingly, we predict that the hydrogenation can lead to a large increase in thermal conductivity (from 22.5 W m-1 K-1 for silicene to 78.0 W m-1 K-1 for hydrogenated silicene at 300 K). We also find that the main contributor for such an improvement is the transverse acoustic phonon modes, and the reasons are the reduced anharmonicity as well as the reduced three-phonon scattering phase space after hydrogenation. This research may help better understand thermal transport in functionalized 2D materials and inspire new strategies to manipulate their thermal properties, which is of critical importance for designing high performance and reliable nanoelectronic devices.

  18. Nanoscale relaxation oscillator

    DOEpatents

    Zettl, Alexander K.; Regan, Brian C.; Aloni, Shaul

    2009-04-07

    A nanoscale oscillation device is disclosed, wherein two nanoscale droplets are altered in size by mass transport, then contact each other and merge through surface tension. The device may also comprise a channel having an actuator responsive to mechanical oscillation caused by expansion and contraction of the droplets. It further has a structure for delivering atoms between droplets, wherein the droplets are nanoparticles. Provided are a first particle and a second particle on the channel member, both being made of a chargeable material, the second particle contacting the actuator portion; and electrodes connected to the channel member for delivering a potential gradient across the channel and traversing the first and second particles. The particles are spaced apart a specified distance so that atoms from one particle are delivered to the other particle by mass transport in response to the potential (e.g. voltage potential) and the first and second particles are liquid and touch at a predetermined point of growth, thereby causing merging of the second particle into the first particle by surface tension forces and reverse movement of the actuator. In a preferred embodiment, the channel comprises a carbon nanotube and the droplets comprise metal nanoparticles, e.g. indium, which is readily made liquid.

  19. Computation of Thermal Transport in a Protein

    NASA Astrophysics Data System (ADS)

    Leitner, David M.

    2003-03-01

    Calculation of the coefficient of thermal conductivity and thermal diffusivity for a protein will be discussed. Thermal transport coefficients are obtained by computing the proteinÂ's normal modes, their lifetimes, the speed of sound and mean free path. We find the thermal diffusivity of myoglobin at 300 K to be 14 Å^2 /ps, the same as the value for water. The thermal conductivity at 300 K is calculated to be 2.0 mW/cm K in the absence of solvent and somewhat higher for the solvated protein, about one-third the value for water.

  20. First-principles study of thermal transport in nitrogenated holey graphene.

    PubMed

    Ouyang, Tao; Xiao, Huaping; Tang, Chao; Zhang, Xiaoliang; Hu, Ming; Zhong, Jianxin

    2017-01-27

    Nitrogenated holey graphene (NHG), a new two-dimensional graphene variant with a large fundamental direct band gap, has recently been successfully synthesized via a simple wet-chemical reaction. Motivated by its unique geometry and novel properties, we investigated the phonon transport properties of the material by combining first-principle calculations and the phonon Boltzmann transport equation. The lattice thermal conductivity of NHG at room temperature is predicted to be about 82.22 W mK -1 , which is almost two orders of magnitude lower than that of graphene (about 3500 W mK -1 ). Deviating from the traditional understanding that thermal transport is usually largely contributed by the acoustic phonon modes for most suspended 2D materials, both out-of-plane flexural acoustic (ZA) and optical phonon modes make a more or less equal contribution, and their combination abnormally dominates the overall thermal transport in NHG. The major three-phonon process in NHG is further analyzed and the scattering between the acoustic and optical phonon modes like [Formula: see text] is the main phonon process channel. Meanwhile, the mean free path distribution of different phonon modes is calculated for the purpose of the thermal management of NHG-based devices. Our results elucidate the unusual thermal transport properties of NHG as compared with the representative case of graphene, and underpin its potential application for use by the thermal management community.

  1. Effects of nanosized constriction on thermal transport properties of graphene

    PubMed Central

    2014-01-01

    Thermal transport properties of graphene with nanosized constrictions are investigated using nonequilibrium molecular dynamics simulations. The results show that the nanosized constrictions have a significant influence on the thermal transport properties of graphene. The thermal resistance of the nanosized constrictions is on the order of 107 to 109 K/W at 150 K, which reduces the thermal conductivity by 7.7% to 90.4%. It is also found that the constriction resistance is inversely proportional to the width of the constriction and independent of the heat current. Moreover, we developed an analytical model for the ballistic thermal resistance of the nanosized constrictions in two-dimensional nanosystems. The theoretical prediction agrees well with the simulation results in this paper, which suggests that the thermal transport across the nanosized constrictions in two-dimensional nanosystems is ballistic in nature. PACS 65.80.CK; 61.48.Gh; 63.20.kp; 31.15.xv PMID:25232292

  2. Nanoscale electrical and structural modification induced by rapid thermal oxidation of AlGaN/GaN heterostructures.

    PubMed

    Greco, Giuseppe; Fiorenza, Patrick; Giannazzo, Filippo; Alberti, Alessandra; Roccaforte, Fabrizio

    2014-01-17

    In this paper, the structural and electrical modifications induced, in the nanoscale, by a rapid thermal oxidation process on AlGaN/GaN heterostructures, are investigated. A local rapid oxidation (900 ° C in O2, 10 min) localized under the anode region of an AlGaN/GaN diode enabled a reduction of the leakage current with respect to a standard Schottky contact. The insulating properties of the near-surface oxidized layer were probed by a nanoscale electrical characterization using scanning probe microscopy techniques. The structural characterization indicated the formation of a thin uniform oxide layer on the surface, with preferential oxidation paths along V-shaped defects penetrating through the AlGaN/GaN interface. The oxidation process resulted in an expansion of the lattice parameters due to the incorporation of oxygen atoms, accompanied by an increase of the crystal mosaicity. As a consequence, a decrease of the sheet carrier density of the two-dimensional electron gas and a positive shift of the threshold voltage are observed. The results provide useful insights for a possible future integration of rapid oxidation processes during GaN device fabrication.

  3. Analysis of ballistic transport in nanoscale devices by using an accelerated finite element contact block reduction approach

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, H.; Li, G., E-mail: gli@clemson.edu

    2014-08-28

    An accelerated Finite Element Contact Block Reduction (FECBR) approach is presented for computational analysis of ballistic transport in nanoscale electronic devices with arbitrary geometry and unstructured mesh. Finite element formulation is developed for the theoretical CBR/Poisson model. The FECBR approach is accelerated through eigen-pair reduction, lead mode space projection, and component mode synthesis techniques. The accelerated FECBR is applied to perform quantum mechanical ballistic transport analysis of a DG-MOSFET with taper-shaped extensions and a DG-MOSFET with Si/SiO{sub 2} interface roughness. The computed electrical transport properties of the devices obtained from the accelerated FECBR approach and associated computational cost as amore » function of system degrees of freedom are compared with those obtained from the original CBR and direct inversion methods. The performance of the accelerated FECBR in both its accuracy and efficiency is demonstrated.« less

  4. Characterization of Nanoscale Gas Transport in Shale Formations

    NASA Astrophysics Data System (ADS)

    Chai, D.; Li, X.

    2017-12-01

    Non-Darcy flow behavior can be commonly observed in nano-sized pores of matrix. Most existing gas flow models characterize non-Darcy flow by empirical or semi-empirical methods without considering the real gas effect. In this paper, a novel layered model with physical meanings is proposed for both ideal and real gas transports in nanopores. It can be further coupled with hydraulic fracturing models and consequently benefit the storage evaluation and production prediction for shale gas recovery. It is hypothesized that a nanotube can be divided into a central circular zone where the viscous flow behavior mainly exists due to dominant intermolecular collisions and an outer annular zone where the Knudsen diffusion mainly exists because of dominant collisions between molecules and the wall. The flux is derived based on integration of two zones by applying the virtual boundary. Subsequently, the model is modified by incorporating slip effect, real gas effect, porosity distribution, and tortuosity. Meanwhile, a multi-objective optimization method (MOP) is applied to assist the validation of analytical model to search fitting parameters which are highly localized and contain significant uncertainties. The apparent permeability is finally derived and analyzed with various impact factors. The developed nanoscale gas transport model is well validated by the flux data collected from both laboratory experiments and molecular simulations over the entire spectrum of flow regimes. It has a decrease of as much as 43.8% in total molar flux when the real gas effect is considered in the model. Such an effect is found to be more significant as pore size shrinks. Knudsen diffusion accounts for more than 60% of the total gas flux when pressure is lower than 0.2 MPa and pore size is smaller than 50 nm. Overall, the apparent permeability is found to decrease with pressure, though it rarely changes when pressure is higher than 5.0 MPa and pore size is larger than 50 nm.

  5. Systems with a constant heat flux with applications to radiative heat transport across nanoscale gaps and layers

    NASA Astrophysics Data System (ADS)

    Budaev, Bair V.; Bogy, David B.

    2018-06-01

    We extend the statistical analysis of equilibrium systems to systems with a constant heat flux. This extension leads to natural generalizations of Maxwell-Boltzmann's and Planck's equilibrium energy distributions to energy distributions of systems with a net heat flux. This development provides a long needed foundation for addressing problems of nanoscale heat transport by a systematic method based on a few fundamental principles. As an example, we consider the computation of the radiative heat flux between narrowly spaced half-spaces maintained at different temperatures.

  6. First-principles study of thermal transport in nitrogenated holey graphene

    NASA Astrophysics Data System (ADS)

    Ouyang, Tao; Xiao, Huaping; Tang, Chao; Zhang, Xiaoliang; Hu, Ming; Zhong, Jianxin

    2017-01-01

    Nitrogenated holey graphene (NHG), a new two-dimensional graphene variant with a large fundamental direct band gap, has recently been successfully synthesized via a simple wet-chemical reaction. Motivated by its unique geometry and novel properties, we investigated the phonon transport properties of the material by combining first-principle calculations and the phonon Boltzmann transport equation. The lattice thermal conductivity of NHG at room temperature is predicted to be about 82.22 W mK-1, which is almost two orders of magnitude lower than that of graphene (about 3500 W mK-1). Deviating from the traditional understanding that thermal transport is usually largely contributed by the acoustic phonon modes for most suspended 2D materials, both out-of-plane flexural acoustic (ZA) and optical phonon modes make a more or less equal contribution, and their combination abnormally dominates the overall thermal transport in NHG. The major three-phonon process in NHG is further analyzed and the scattering between the acoustic and optical phonon modes like {{ZA}}/{{TA}}/{{LA}}+{{O}}≤ftrightarrow {{O}} is the main phonon process channel. Meanwhile, the mean free path distribution of different phonon modes is calculated for the purpose of the thermal management of NHG-based devices. Our results elucidate the unusual thermal transport properties of NHG as compared with the representative case of graphene, and underpin its potential application for use by the thermal management community.

  7. EDITORIAL: Nanoscale metrology Nanoscale metrology

    NASA Astrophysics Data System (ADS)

    Klapetek, P.; Koenders, L.

    2011-09-01

    properties of nanoparticles, nanotubes, quantum dots and similar fascinating objects. Currently there is a high level of interest in characterization of nanoparticles since they are increasingly encountered in science, technology, life sciences and even everyday life. Quantitative characterization of nanoparticles has been the subject of many discussions and some recent work over the last couple of years, and both scanning probe microscopy and scanning or transmission electron microscopy characterization of nanoparticles are presented here. There is also a continuous need for improvement of scanning probe microscopy that is a basic tool for nanometrology. Increasing thermal stability, scanning speed and tip stability, improving traceability and reducing uncertainty are all areas being addressed. As scanning probe microscopy is essentially based on force measurements in the nano- and piconewton range, we take notice of large developments, both theoretical and experimental, in the field of traceable measurements of nanoscale forces. This will greatly increase the understanding and quantification of many basic phenomena in scanning probe microscopy. Finally, we observe that high resolution techniques for acquiring more than just morphology are slowly shifting from purely qualitative tools to well defined quantitative methods. Lack of simple and reliable chemical identification in scanning probe microscopy is compensated by many other local probing methods seen in commercial microscopes, like scanning thermal microscopy or the Kelvin probe technique. All these methods still require underpinning with theoretical and experimental work before they can become traceable analytical methods; however, the increased interest in the metrology community gives rise to optimism in this field. The production of this issue involved considerable effort from many contributors. We would like to thank all the authors for their contributions, the referees for their time spent reviewing the

  8. Uncovering New Thermal and Elastic Properties of Nanostructured Materials Using Coherent EUV Light

    NASA Astrophysics Data System (ADS)

    Hernandez Charpak, Jorge Nicolas

    nanoscale thermal transport (i.e. cooling) of periodic hot nanostructures down to 20nm in characteristic dimension in both 1D (nanolines) and 2D (nanocubes) geometries, I uncovered a new surprising regime of nanoscale thermal transport called the "collectively-diffusive regime". In this regime, nanoscale hot spots cool faster when placed closer together than when farther apart. This is a consequence of the interplay between both the size and spacing of the nanoscale heat sources with the phonon spectrum of a material. This makes our technique one of the only experimental routes to directly probe the dynamics of phonons in complex materials, which is critical to both technological applications and fundamental condensed matter physics. I developed a proof of concept model and used it to extract the first experimental differential conductivity phonon mean free path (MFP) spectra for silicon and sapphire, which compare well with first-principles calculations. However, a complete picture of the physics is still elusive. Thus, I developed a computational solver for the phonon Boltzmann transport equation in realistic experimental geometries. Using this approach, I successfully found confirmation of the influence of the period in thermal transport from periodic heat sources: a smaller periodicity can enhance the heat dissipation efficiency. This result is qualitatively consistent with the results of the "collectively-diffusive regime", but more work is needed for a full theoretical quantitative picture of the experimental results. In other work, I used coherent EUV nanometrology to simultaneously measure, in a non-contact and non-destructive way, Young's modulus and, for the first time, Poisson's ratio of ultra-thin films. I successfully extracted the full elastic tensor of the thinnest films to date (10.9nm). Moreover, by using our technique on a series of low-k dielectric sub-100 nm SiC:H films, I uncovered an unexpected transition from compressible to non-compressible behavior

  9. Ballistic phonon transport in holey silicon.

    PubMed

    Lee, Jaeho; Lim, Jongwoo; Yang, Peidong

    2015-05-13

    When the size of semiconductors is smaller than the phonon mean free path, phonons can carry heat with no internal scattering. Ballistic phonon transport has received attention for both theoretical and practical aspects because Fourier's law of heat conduction breaks down and the heat dissipation in nanoscale transistors becomes unpredictable in the ballistic regime. While recent experiments demonstrate room-temperature evidence of ballistic phonon transport in various nanomaterials, the thermal conductivity data for silicon in the length scale of 10-100 nm is still not available due to experimental challenges. Here we show ballistic phonon transport prevails in the cross-plane direction of holey silicon from 35 to 200 nm. The thermal conductivity scales linearly with the length (thickness) even though the lateral dimension (neck) is as narrow as 20 nm. We assess the impact of long-wavelength phonons and predict a transition from ballistic to diffusive regime using scaling models. Our results support strong persistence of long-wavelength phonons in nanostructures and are useful for controlling phonon transport for thermoelectrics and potential phononic applications.

  10. Ballistic near-field heat transport in dense many-body systems

    NASA Astrophysics Data System (ADS)

    Latella, Ivan; Biehs, Svend-Age; Messina, Riccardo; Rodriguez, Alejandro W.; Ben-Abdallah, Philippe

    2018-01-01

    Radiative heat transport mediated by near-field interactions is known to be superdiffusive in dilute, many-body systems. Here we use a generalized Landauer theory of radiative heat transfer in many-body planar systems to demonstrate a nonmonotonic transition from superdiffusive to ballistic transport in dense systems. We show that such a transition is associated to a change of the polarization of dominant modes. Our findings are complemented by a quantitative study of the relaxation dynamics of the system in the different regimes of heat transport. This result could have important consequences on thermal management at nanoscale of many-body systems.

  11. Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes.

    PubMed

    Bestembayeva, Aizhan; Kramer, Armin; Labokha, Aksana A; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V; Ford, Ian J; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W

    2015-01-01

    The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ∼5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC. Although the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins, and is therefore not well understood. Here, we show that stiffness topography with sharp atomic force microscopy tips can generate nanoscale cross-sections of the NPC. The cross-sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel.

  12. Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes

    PubMed Central

    Labokha, Aksana A.; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V.; Ford, Ian J.; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W.

    2014-01-01

    The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ~5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC1. Whilst the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized2-5, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins5,6, and is therefore not well understood. Here, we show that stiffness topography7 with sharp atomic force microscopy tips can generate nanoscale cross sections of the NPC. The cross sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy2-5. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport, and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel. PMID:25420031

  13. Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes

    NASA Astrophysics Data System (ADS)

    Bestembayeva, Aizhan; Kramer, Armin; Labokha, Aksana A.; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V.; Ford, Ian J.; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W.

    2015-01-01

    The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ∼5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC. Although the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins, and is therefore not well understood. Here, we show that stiffness topography with sharp atomic force microscopy tips can generate nanoscale cross-sections of the NPC. The cross-sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel.

  14. Strain effects on the anisotropic thermal transport in crystalline polyethylene

    NASA Astrophysics Data System (ADS)

    He, Jixiong; Kim, Kyunghoon; Wang, Yangchao; Liu, Jun

    2018-01-01

    Thermal transport in the axial direction of polymers has been extensively studied, while the strain effect on the thermal conductivity, especially in the radial direction, remains unknown. In this work, we calculated the thermal conductivity in the radial direction of a crystalline polyethylene model and simulated the uniaxial strain effect on the thermal conductivity tensor by molecular dynamics simulations. We found a strong size effect of the thermal transport in the radial direction and estimated that the phonon mean free path can be much larger than the prediction from the classic kinetic theory. We also found that the thermal conductivity in the axial direction increases dramatically with strain, while the thermal conductivity in the radial direction decreases with uniaxial strain. We attribute the reduction of thermal conductivity in the radial direction to the decreases in inter-chain van der Waals forces with strains. The facts that the chains in the crystalline polyethylene became stiffer and more ordered along the chain direction could be the reasons for the increasing thermal conductivity in the axial direction during stretching. Besides, we observed longer phonon lifetime in acoustic branches and higher group velocity in optical branches after uniaxial stretching. Our work provides fundamental understandings on the phonon transport in crystalline polymers, the structure-property relationship in crystalline polymers, and the strain effect in highly anisotropic materials.

  15. Quasi-ballistic Electronic Thermal Conduction in Metal Inverse Opals.

    PubMed

    Barako, Michael T; Sood, Aditya; Zhang, Chi; Wang, Junjie; Kodama, Takashi; Asheghi, Mehdi; Zheng, Xiaolin; Braun, Paul V; Goodson, Kenneth E

    2016-04-13

    Porous metals are used in interfacial transport applications that leverage the combination of electrical and/or thermal conductivity and the large available surface area. As nanomaterials push toward smaller pore sizes to increase the total surface area and reduce diffusion length scales, electron conduction within the metal scaffold becomes suppressed due to increased surface scattering. Here we observe the transition from diffusive to quasi-ballistic thermal conduction using metal inverse opals (IOs), which are metal films that contain a periodic arrangement of interconnected spherical pores. As the material dimensions are reduced from ∼230 nm to ∼23 nm, the thermal conductivity of copper IOs is reduced by more than 57% due to the increase in surface scattering. In contrast, nickel IOs exhibit diffusive-like conduction and have a constant thermal conductivity over this size regime. The quasi-ballistic nature of electron transport at these length scales is modeled considering the inverse opal geometry, surface scattering, and grain boundaries. Understanding the characteristics of electron conduction at the nanoscale is essential to minimizing the total resistance of porous metals for interfacial transport applications, such as the total electrical resistance of battery electrodes and the total thermal resistance of microscale heat exchangers.

  16. Molecular dynamics study of interfacial thermal transport between silicene and substrates.

    PubMed

    Zhang, Jingchao; Hong, Yang; Tong, Zhen; Xiao, Zhihuai; Bao, Hua; Yue, Yanan

    2015-10-07

    In this work, the interfacial thermal transport across silicene and various substrates, i.e., crystalline silicon (c-Si), amorphous silicon (a-Si), crystalline silica (c-SiO2) and amorphous silica (a-SiO2) are explored by classical molecular dynamics (MD) simulations. A transient pulsed heating technique is applied in this work to characterize the interfacial thermal resistance in all hybrid systems. It is reported that the interfacial thermal resistances between silicene and all substrates decrease nearly 40% with temperature from 100 K to 400 K, which is due to the enhanced phonon couplings from the anharmonicity effect. Analysis of phonon power spectra of all systems is performed to interpret simulation results. Contradictory to the traditional thought that amorphous structures tend to have poor thermal transport capabilities due to the disordered atomic configurations, it is calculated that amorphous silicon and silica substrates facilitate the interfacial thermal transport compared with their crystalline structures. Besides, the coupling effect from substrates can improve the interface thermal transport up to 43.5% for coupling strengths χ from 1.0 to 2.0. Our results provide fundamental knowledge and rational guidelines for the design and development of the next-generation silicene-based nanoelectronics and thermal interface materials.

  17. Scanning thermo-ionic microscopy for probing local electrochemistry at the nanoscale

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Eshghinejad, Ahmadreza; Nasr Esfahani, Ehsan; Wang, Peiqi

    2016-05-28

    Conventional electrochemical characterization techniques based on voltage and current measurements only probe faradaic and capacitive rates in aggregate. In this work we develop a scanning thermo-ionic microscopy (STIM) to probe local electrochemistry at the nanoscale, based on imaging of Vegard strain induced by thermal oscillation. It is demonstrated from both theoretical analysis and experimental validation that the second harmonic response of thermally induced cantilever vibration, associated with thermal expansion, is present in all solids, whereas the fourth harmonic response, caused by local transport of mobile species, is only present in ionic materials. The origin of STIM response is further confirmedmore » by its reduced amplitude with respect to increased contact force, due to the coupling of stress to concentration of ionic species and/or electronic defects. The technique has been applied to probe Sm-doped Ceria and LiFePO{sub 4}, both of which exhibit higher concentrations of mobile species near grain boundaries. The STIM gives us a powerful method to study local electrochemistry with high sensitivity and spatial resolution for a wide range of ionic systems, as well as ability to map local thermomechanical response.« less

  18. Dimension- and shape-dependent thermal transport in nano-patterned thin films investigated by scanning thermal microscopy

    NASA Astrophysics Data System (ADS)

    Ge, Yunfei; Zhang, Yuan; Weaver, Jonathan M. R.; Dobson, Phillip S.

    2017-12-01

    Scanning thermal microscopy (SThM) is a technique which is often used for the measurement of the thermal conductivity of materials at the nanometre scale. The impact of nano-scale feature size and shape on apparent thermal conductivity, as measured using SThM, has been investigated. To achieve this, our recently developed topography-free samples with 200 and 400 nm wide gold wires (50 nm thick) of length of 400-2500 nm were fabricated and their thermal resistance measured and analysed. This data was used in the development and validation of a rigorous but simple heat transfer model that describes a nanoscopic contact to an object with finite shape and size. This model, in combination with a recently proposed thermal resistance network, was then used to calculate the SThM probe signal obtained by measuring these features. These calculated values closely matched the experimental results obtained from the topography-free sample. By using the model to analyse the dimensional dependence of thermal resistance, we demonstrate that feature size and shape has a significant impact on measured thermal properties that can result in a misinterpretation of material thermal conductivity. In the case of a gold nanowire embedded within a silicon nitride matrix it is found that the apparent thermal conductivity of the wire appears to be depressed by a factor of twenty from the true value. These results clearly demonstrate the importance of knowing both probe-sample thermal interactions and feature dimensions as well as shape when using SThM to quantify material thermal properties. Finally, the new model is used to identify the heat flux sensitivity, as well as the effective contact size of the conventional SThM system used in this study.

  19. High temperature dependence of thermal transport in graphene foam.

    PubMed

    Li, Man; Sun, Yi; Xiao, Huying; Hu, Xuejiao; Yue, Yanan

    2015-03-13

    In contrast to the decreased thermal property of carbon materials with temperature according to the Umklapp phonon scattering theory, highly porous free-standing graphene foam (GF) exhibits an abnormal characteristic that its thermal property increases with temperature above room temperature. In this work, the temperature dependence of thermal properties of free-standing GF is investigated by using the transient electro-thermal technique. Significant increase for thermal conductivity and thermal diffusivity from ∼0.3 to 1.5 W m(-1) K(-1) and ∼4 × 10(-5) to ∼2 × 10(-4) m(2) s(-1) respectively is observed with temperature from 310 K to 440 K for three GF samples. The quantitative analysis based on a physical model for porous media of Schuetz confirms that the thermal conductance across graphene contacts rather than the heat conductance inside graphene dominates thermal transport of our GFs. The thermal expansion effect at an elevated temperature makes the highly porous structure much tighter is responsible for the reduction in thermal contact resistance. Besides, the radiation heat exchange inside the pores of GFs improves the thermal transport at high temperatures. Since free-standing GF has great potential for being used as supercapacitor and battery electrode where the working temperature is always above room temperature, this finding is beneficial for thermal design of GF-based energy applications.

  20. Hybrid transport and diffusion modeling using electron thermal transport Monte Carlo SNB in DRACO

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Moses, Gregory

    2017-10-01

    The iSNB (implicit Schurtz Nicolai Busquet) multigroup diffusion electron thermal transport method is adapted into an Electron Thermal Transport Monte Carlo (ETTMC) transport method to better model angular and long mean free path non-local effects. Previously, the ETTMC model had been implemented in the 2D DRACO multiphysics code and found to produce consistent results with the iSNB method. Current work is focused on a hybridization of the computationally slower but higher fidelity ETTMC transport method with the computationally faster iSNB diffusion method in order to maximize computational efficiency. Furthermore, effects on the energy distribution of the heat flux divergence are studied. Work to date on the hybrid method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  1. Impacts of propagating, frustrated and surface modes on radiative, electrical and thermal losses in nanoscale-gap thermophotovoltaic power generators.

    PubMed

    Bernardi, Michael P; Dupré, Olivier; Blandre, Etienne; Chapuis, Pierre-Olivier; Vaillon, Rodolphe; Francoeur, Mathieu

    2015-06-26

    The impacts of radiative, electrical and thermal losses on the performances of nanoscale-gap thermophotovoltaic (nano-TPV) power generators consisting of a gallium antimonide cell paired with a broadband tungsten and a radiatively-optimized Drude radiator are analyzed. Results reveal that surface mode mediated nano-TPV power generation with the Drude radiator outperforms the tungsten radiator, dominated by frustrated modes, only for a vacuum gap thickness of 10 nm and if both electrical and thermal losses are neglected. The key limiting factors for the Drude- and tungsten-based devices are respectively the recombination of electron-hole pairs at the cell surface and thermalization of radiation with energy larger than the cell absorption bandgap. A design guideline is also proposed where a high energy cutoff above which radiation has a net negative effect on nano-TPV power output due to thermal losses is determined. It is shown that the power output of a tungsten-based device increases by 6.5% while the cell temperature decreases by 30 K when applying a high energy cutoff at 1.45 eV. This work demonstrates that design and optimization of nano-TPV devices must account for radiative, electrical and thermal losses.

  2. Impacts of propagating, frustrated and surface modes on radiative, electrical and thermal losses in nanoscale-gap thermophotovoltaic power generators

    PubMed Central

    Bernardi, Michael P.; Dupré, Olivier; Blandre, Etienne; Chapuis, Pierre-Olivier; Vaillon, Rodolphe; Francoeur, Mathieu

    2015-01-01

    The impacts of radiative, electrical and thermal losses on the performances of nanoscale-gap thermophotovoltaic (nano-TPV) power generators consisting of a gallium antimonide cell paired with a broadband tungsten and a radiatively-optimized Drude radiator are analyzed. Results reveal that surface mode mediated nano-TPV power generation with the Drude radiator outperforms the tungsten radiator, dominated by frustrated modes, only for a vacuum gap thickness of 10 nm and if both electrical and thermal losses are neglected. The key limiting factors for the Drude- and tungsten-based devices are respectively the recombination of electron-hole pairs at the cell surface and thermalization of radiation with energy larger than the cell absorption bandgap. A design guideline is also proposed where a high energy cutoff above which radiation has a net negative effect on nano-TPV power output due to thermal losses is determined. It is shown that the power output of a tungsten-based device increases by 6.5% while the cell temperature decreases by 30 K when applying a high energy cutoff at 1.45 eV. This work demonstrates that design and optimization of nano-TPV devices must account for radiative, electrical and thermal losses. PMID:26112658

  3. Thermal Transport in Graphene Oxide – From Ballistic Extreme to Amorphous Limit

    PubMed Central

    Mu, Xin; Wu, Xufei; Zhang, Teng; Go, David B.; Luo, Tengfei

    2014-01-01

    Graphene oxide is being used in energy, optical, electronic and sensor devices due to its unique properties. However, unlike its counterpart – graphene – the thermal transport properties of graphene oxide remain unknown. In this work, we use large-scale molecular dynamics simulations with reactive potentials to systematically study the role of oxygen adatoms on the thermal transport in graphene oxide. For pristine graphene, highly ballistic thermal transport is observed. As the oxygen coverage increases, the thermal conductivity is significantly reduced. An oxygen coverage of 5% can reduce the graphene thermal conductivity by ~90% and a coverage of 20% lower it to ~8.8 W/mK. This value is even lower than the calculated amorphous limit (~11.6 W/mK for graphene), which is usually regarded as the minimal possible thermal conductivity of a solid. Analyses show that the large reduction in thermal conductivity is due to the significantly enhanced phonon scattering induced by the oxygen defects which introduce dramatic structural deformations. These results provide important insight to the thermal transport physics in graphene oxide and offer valuable information for the design of graphene oxide-based materials and devices. PMID:24468660

  4. Modeling of nanoscale liquid mixture transport by density functional hydrodynamics

    NASA Astrophysics Data System (ADS)

    Dinariev, Oleg Yu.; Evseev, Nikolay V.

    2017-06-01

    Modeling of multiphase compositional hydrodynamics at nanoscale is performed by means of density functional hydrodynamics (DFH). DFH is the method based on density functional theory and continuum mechanics. This method has been developed by the authors over 20 years and used for modeling in various multiphase hydrodynamic applications. In this paper, DFH was further extended to encompass phenomena inherent in liquids at nanoscale. The new DFH extension is based on the introduction of external potentials for chemical components. These potentials are localized in the vicinity of solid surfaces and take account of the van der Waals forces. A set of numerical examples, including disjoining pressure, film precursors, anomalous rheology, liquid in contact with heterogeneous surface, capillary condensation, and forward and reverse osmosis, is presented to demonstrate modeling capabilities.

  5. Probing the low thermal conductivity of single-crystalline porous Si nanowires

    NASA Astrophysics Data System (ADS)

    Zhao, Yunshan; Lina Yang Collaboration; Lingyu Kong Collaboration; Baowen Li Collaboration; John T L Thong Collaboration; Kedar Hippalgaonkar Collaboration

    Pore-like structures provide a novel way to reduce the thermal conductivity of silicon nanowires, compared to both smooth-surface VLS nanowires and rough EE nanowires. Because of enhanced phonon scattering with interface and decrease in phonon transport path, the porous nanostructures show reduction in thermal conductance by few orders of magnitude. It proves to be extremely challenging to evaluate porosity accurately in an experimental manner and further understand its effect on thermal transport. In this study, we use the newly developed electron-beam based micro-electrothermal device technique to study the porosity dependent thermal conductivity of mesoporous silicon nanowires that have single-crystalline scaffolding. Based on the Casino simulation, the power absorbed by the nanowire, coming from the loss of travelling electron energy, has a linear relationship with it cross section. The relationship has been verified experimentally as well. Monte Carlo simulation is carried out to theoretically predict the thermal conductivity of silicon nanowires with a specific value of porosity. These single-crystalline porous silicon nanowires show extremely low thermal conductivity, even below the amorphous limit. These structures together with our experimental techniques provide a particularly intriguing platform to understand the phonon transport in nanoscale and aid the performance improvement in future nanowires-based devices.

  6. Dopant atoms as quantum components in silicon nanoscale devices

    NASA Astrophysics Data System (ADS)

    Zhao, Xiaosong; Han, Weihua; Wang, Hao; Ma, Liuhong; Li, Xiaoming; Zhang, Wang; Yan, Wei; Yang, Fuhua

    2018-06-01

    Recent progress in nanoscale fabrication allows many fundamental studies of the few dopant atoms in various semiconductor nanostructures. Since the size of nanoscale devices has touched the limit of the nature, a single dopant atom may dominate the performance of the device. Besides, the quantum computing considered as a future choice beyond Moore's law also utilizes dopant atoms as functional units. Therefore, the dopant atoms will play a significant role in the future novel nanoscale devices. This review focuses on the study of few dopant atoms as quantum components in silicon nanoscale device. The control of the number of dopant atoms and unique quantum transport characteristics induced by dopant atoms are presented. It can be predicted that the development of nanoelectronics based on dopant atoms will pave the way for new possibilities in quantum electronics. Project supported by National Key R&D Program of China (No. 2016YFA0200503).

  7. Thermal Transport in Crystals as a Kinetic Theory of Relaxons

    NASA Astrophysics Data System (ADS)

    Cepellotti, Andrea; Marzari, Nicola

    2016-10-01

    Thermal conductivity in dielectric crystals is the result of the relaxation of lattice vibrations described by the phonon Boltzmann transport equation. Remarkably, an exact microscopic definition of the heat carriers and their relaxation times is still missing: Phonons, typically regarded as the relevant excitations for thermal transport, cannot be identified as the heat carriers when most scattering events conserve momentum and do not dissipate heat flux. This is the case for two-dimensional or layered materials at room temperature, or three-dimensional crystals at cryogenic temperatures. In this work, we show that the eigenvectors of the scattering matrix in the Boltzmann equation define collective phonon excitations, which are termed here "relaxons". These excitations have well-defined relaxation times, directly related to heat-flux dissipation, and they provide an exact description of thermal transport as a kinetic theory of the relaxon gas. We show why Matthiessen's rule is violated, and we construct a procedure for obtaining the mean free paths and relaxation times of the relaxons. These considerations are general and would also apply to other semiclassical transport models, such as the electronic Boltzmann equation. For heat transport, they remain relevant even in conventional crystals like silicon, but they are of the utmost importance in the case of two-dimensional materials, where they can revise, by several orders of magnitude, the relevant time and length scales for thermal transport in the hydrodynamic regime.

  8. Modeling Polymer Stabilized Nano-scale Zero Valent Iron Transport Experiments in Porous Media to Understand the Transport Behavior

    NASA Astrophysics Data System (ADS)

    Mondal, P.; Krol, M.; Sleep, B. E.

    2015-12-01

    A wide variety of groundwater contaminants can be treated with nano-scale zero valent iron (nZVI). However, delivery of nZVI in the subsurface to the treatment zones is challenging as the bare nZVI particles have a higher tendency to agglomerate. The subsurface mobility of nZVI can be enhanced by stabilizing nZVI with polymer, such as carboxymethyl cellulose (CMC). In this study, numerical simulations were conducted to evaluate CMC stabilized nZVI transport behavior in porous media. The numerical simulations were based on a set of laboratory-scale transport experiments that were conducted in a two-dimensional water-saturated glass-walled sandbox (length - 55 cm; height - 45 cm; width - 1.4 cm), uniformly packed with silica sand. In the transport experiments: CMC stabilized nZVI and a non-reactive dye tracer Lissamine Green B (LGB) were used; water specific discharge and CMC concentration were varied; movements of LGB, and CMC-nZVI in the sandbox were tracked using a camera, a light source and a dark box. The concentrations of LGB, CMC, and CMC-nZVI at the sandbox outlet were analyzed. A 2D multiphase flow and transport model was applied to simulate experimental results. The images from LGB dye transport experiments were used to determine the pore water velocities and media permeabilities in various layers in the sand box. These permeability values were used in the subsequent simulations of CMC-nZVI transport. The 2D compositional simulator, modified to include colloid filtration theory (CFT), treated CMC as a solute and nZVI as a colloid. The simulator included composition dependent viscosity to account for CMC injection and mixing, and attachment efficiency as a fitting parameter for nZVI transport modeling. In the experiments, LGB and CMC recoveries were greater than 95%; however, CMC residence time was significantly higher than the LGB residence time and the higher CMC concentration caused higher pressure drops in the sandbox. The nZVI recovery was lower than 40

  9. Thermal Transport in Self-Assembled Nanostructures

    DTIC Science & Technology

    2011-01-01

    2:1 smectite clay family which can be exfoliated into large aspect ratio (>1000:1) ~1 nm thick sheets (Figure 4a). Each montmorillonite sheet...measurements. While it was suggested earlier that study of the thermal transport properties of similarly modified smectite clays other than montmorillonite

  10. An Indentation Technique for Nanoscale Dynamic Viscoelastic Measurements at Elevated Temperature

    NASA Astrophysics Data System (ADS)

    Ye, Jiping

    2012-08-01

    Determination of nano/micro-scale viscoelasticity is very important to understand the local rheological behavior and degradation phenomena of multifunctional polymer blend materials. This article reviews research results concerning the development of indentation techniques for making nanoscale dynamic viscoelastic measurements at elevated temperature. In the last decade, we have achieved breakthroughs in noise floor reduction in air and thermal load drift/noise reduction at high temperature before taking on the challenge of nanoscale viscoelastic measurements. A high-temperature indentation technique has been developed that facilitates viscoelastic measurements up to 200 °C in air and 500 °C in a vacuum. During the last year, two viscoelastic measurement methods have been developed by making a breakthrough in suppressing the contact area change at high temperature. One is a sharp-pointed time-dependent nanoindentation technique for microscale application and the other is a spherical time-dependent nanoindentation technique for nanoscale application. In the near future, we expect to lower the thermal load drift and load noise floor even more substantially.

  11. Anisotropic thermal transport in Weyl semimetal TaAs: a first principles calculation.

    PubMed

    Ouyang, Tao; Xiao, Huaping; Tang, Chao; Hu, Ming; Zhong, Jianxin

    2016-06-22

    A fundamental understanding of the phonon transport property is crucial to predict the thermal management performance in micro/nano-electronic devices. By combining first principle calculations and Boltzmann phonon transport equation, we investigate thermal transport in TaAs-a typical Weyl semimetal. The lattice thermal conductivity of TaAs at room temperature was found to be 39.26 W mK(-1) and 24.78 W mK(-1) along the a(b) and c crystal axis, respectively, showing obvious anisotropy. Detailed analyses of the mode level phonon properties further revealed that the three acoustic phonon modes dominate the overall thermal transport and the major phonon scattering channels in this typical Weyl semimetal were TA1/TA2/LA + O ↔ O and A + A ↔ O. The representative phonon mean free path of TaAs was also calculated in this paper, which provide helpful guidance for the thermal management of TaAs-based electronic devices.

  12. Nanoscale Devices for Solid State Refrigeration and Power Generation

    DTIC Science & Technology

    2004-01-01

    techniques such as ballistic electron emission microscopy, scanning thermal microscopy, X - ray photoelectron emission spectroscopy, etc. The main emphasis is...0-7803-8363- X /04/$20.00 ©2004 IEEE 20th IEEE SEMI-THERM Symposium Nanoscale Devices for Solid State Refrigeration and Power Generation Ali...theories [9,23,24]. Since thermal conductivity is an average bulk effect involving many lattice vibrations (phonons modes), it is hard to

  13. Heat guiding and focusing using ballistic phonon transport in phononic nanostructures

    NASA Astrophysics Data System (ADS)

    Anufriev, Roman; Ramiere, Aymeric; Maire, Jeremie; Nomura, Masahiro

    2017-05-01

    Unlike classical heat diffusion at macroscale, nanoscale heat conduction can occur without energy dissipation because phonons can ballistically travel in straight lines for hundreds of nanometres. Nevertheless, despite recent experimental evidence of such ballistic phonon transport, control over its directionality, and thus its practical use, remains a challenge, as the directions of individual phonons are chaotic. Here, we show a method to control the directionality of ballistic phonon transport using silicon membranes with arrays of holes. First, we demonstrate that the arrays of holes form fluxes of phonons oriented in the same direction. Next, we use these nanostructures as directional sources of ballistic phonons and couple the emitted phonons into nanowires. Finally, we introduce thermal lens nanostructures, in which the emitted phonons converge at the focal point, thus focusing heat into a spot of a few hundred nanometres. These results motivate the concept of ray-like heat manipulations at the nanoscale.

  14. Heat guiding and focusing using ballistic phonon transport in phononic nanostructures.

    PubMed

    Anufriev, Roman; Ramiere, Aymeric; Maire, Jeremie; Nomura, Masahiro

    2017-05-18

    Unlike classical heat diffusion at macroscale, nanoscale heat conduction can occur without energy dissipation because phonons can ballistically travel in straight lines for hundreds of nanometres. Nevertheless, despite recent experimental evidence of such ballistic phonon transport, control over its directionality, and thus its practical use, remains a challenge, as the directions of individual phonons are chaotic. Here, we show a method to control the directionality of ballistic phonon transport using silicon membranes with arrays of holes. First, we demonstrate that the arrays of holes form fluxes of phonons oriented in the same direction. Next, we use these nanostructures as directional sources of ballistic phonons and couple the emitted phonons into nanowires. Finally, we introduce thermal lens nanostructures, in which the emitted phonons converge at the focal point, thus focusing heat into a spot of a few hundred nanometres. These results motivate the concept of ray-like heat manipulations at the nanoscale.

  15. Existence of negative differential thermal conductance in one-dimensional diffusive thermal transport

    NASA Astrophysics Data System (ADS)

    Hu, Jiuning; Chen, Yong P.

    2013-06-01

    We show that in a finite one-dimensional (1D) system with diffusive thermal transport described by the Fourier's law, negative differential thermal conductance (NDTC) cannot occur when the temperature at one end is fixed and there are no abrupt junctions. We demonstrate that NDTC in this case requires the presence of junction(s) with temperature-dependent thermal contact resistance (TCR). We derive a necessary and sufficient condition for the existence of NDTC in terms of the properties of the TCR for systems with a single junction. We show that under certain circumstances we even could have infinite (negative or positive) differential thermal conductance in the presence of the TCR. Our predictions provide theoretical basis for constructing NDTC-based devices, such as thermal amplifiers, oscillators, and logic devices.

  16. Electrical and Thermal Transport in Inhomogeneous Luttinger Liquids

    DOE PAGES

    DeGottardi, Wade; Matveev, K. A.

    2015-06-12

    In this paper, we study the transport properties of long quantum wires by generalizing the Luttinger liquid approach to allow for the finite lifetime of the bosonic excitations. Our theory accounts for long-range disorder and strong electron interactions, both of which are common features of experiments with quantum wires. We obtain the electrical and thermal resistances and thermoelectric properties of such quantum wires and find a strong deviation from perfect conductance quantization. Finally, we cast our results in terms of the thermal conductivity and bulk viscosity of the electron liquid and give the temperature scale above which the transport canmore » be described by classical hydrodynamics.« less

  17. Topological quantization of energy transport in micromechanical and nanomechanical lattices

    NASA Astrophysics Data System (ADS)

    Chien, Chih-Chun; Velizhanin, Kirill A.; Dubi, Yonatan; Ilic, B. Robert; Zwolak, Michael

    2018-03-01

    Topological effects typically discussed in the context of quantum physics are emerging as one of the central paradigms of physics. Here, we demonstrate the role of topology in energy transport through dimerized micro- and nanomechanical lattices in the classical regime, i.e., essentially "masses and springs." We show that the thermal conductance factorizes into topological and nontopological components. The former takes on three discrete values and arises due to the appearance of edge modes that prevent good contact between the heat reservoirs and the bulk, giving a length-independent reduction of the conductance. In essence, energy input at the boundary mostly stays there, an effect robust against disorder and nonlinearity. These results bridge two seemingly disconnected disciplines of physics, namely topology and thermal transport, and suggest ways to engineer thermal contacts, opening a direction to explore the ramifications of topological properties on nanoscale technology.

  18. Impact of vacancy ordering on thermal transport in crystalline phase-change materials

    NASA Astrophysics Data System (ADS)

    Siegert, K. S.; Lange, F. R. L.; Sittner, E. R.; Volker, H.; Schlockermann, C.; Siegrist, T.; Wuttig, M.

    2015-01-01

    Controlling thermal transport in solids is of paramount importance for many applications. Often thermal management is crucial for a device's performance, as it affects both reliability and power consumption. A number of intricate concepts have been developed to address this challenge, such as diamond-like coatings to enhance the thermal conductivity or low symmetry complex super-structures to reduce it. Here, a different approach is pursued, where we explore the potential of solids with a high yet controllable degree of disorder. Recently, it has been demonstrated that an unconventionally high degree of structural disorder characterizes a number of crystalline phase-change materials (PCMs). This disorder strongly impacts electronic transport and even leads to disorder induced localization (Anderson localization). This raises the question how thermal transport is affected by such conditions. Here thermal transport in highly disordered crystalline Ge-Sb-Te (GST) based PCMs is investigated. Glass-like thermal properties are observed for several crystalline PCMs, which are attributed to strong scattering by disordered point defects. A systematic study of different compounds along the pseudo-binary line between GeTe and Sb2Te3 reveals that disordered vacancies act as point defects responsible for pronounced phonon scattering. Annealing causes a gradual ordering of the vacancies and leads to a more ‘crystal-like’ thermal conductivity. While both vibrational and electronic degrees of freedom are affected by disorder, the consequences differ for different stoichiometries. This opens up a pathway to tune electrical and thermal transport by controlling the degree of disorder. Materials with tailored transport properties may not only help to improve power efficiency and scaling in upcoming phase-change memories but are also of fundamental interest in the field of thermoelectric materials.

  19. Impact of vacancy ordering on thermal transport in crystalline phase-change materials.

    PubMed

    Siegert, K S; Lange, F R L; Sittner, E R; Volker, H; Schlockermann, C; Siegrist, T; Wuttig, M

    2015-01-01

    Controlling thermal transport in solids is of paramount importance for many applications. Often thermal management is crucial for a device's performance, as it affects both reliability and power consumption. A number of intricate concepts have been developed to address this challenge, such as diamond-like coatings to enhance the thermal conductivity or low symmetry complex super-structures to reduce it. Here, a different approach is pursued, where we explore the potential of solids with a high yet controllable degree of disorder. Recently, it has been demonstrated that an unconventionally high degree of structural disorder characterizes a number of crystalline phase-change materials (PCMs). This disorder strongly impacts electronic transport and even leads to disorder induced localization (Anderson localization). This raises the question how thermal transport is affected by such conditions. Here thermal transport in highly disordered crystalline Ge-Sb-Te (GST) based PCMs is investigated. Glass-like thermal properties are observed for several crystalline PCMs, which are attributed to strong scattering by disordered point defects. A systematic study of different compounds along the pseudo-binary line between GeTe and Sb2Te3 reveals that disordered vacancies act as point defects responsible for pronounced phonon scattering. Annealing causes a gradual ordering of the vacancies and leads to a more 'crystal-like' thermal conductivity. While both vibrational and electronic degrees of freedom are affected by disorder, the consequences differ for different stoichiometries. This opens up a pathway to tune electrical and thermal transport by controlling the degree of disorder. Materials with tailored transport properties may not only help to improve power efficiency and scaling in upcoming phase-change memories but are also of fundamental interest in the field of thermoelectric materials.

  20. Intrinsic and extrinsic electrical and thermal transport of bulk black phosphorus

    NASA Astrophysics Data System (ADS)

    Hu, Sile; Xiang, Junsen; Lv, Meng; Zhang, Jiahao; Zhao, Hengcan; Li, Chunhong; Chen, Genfu; Wang, Wenhong; Sun, Peijie

    2018-01-01

    We report a comprehensive investigation of the electrical, thermal, and thermoelectric transport properties of bulk single-crystalline black phosphorus in wide temperature (2-300 K) and field (0-9 T) ranges. Electrical transport below T ≈ 250 K is found to be dominated by extrinsic hole-type charge carriers with large mobility exceeding 104 cm2/V s at low temperatures. While thermal transport measurements reveal an enhanced in-plane thermal conductivity maximum κ = 180 W/m K at T ≈ 25 K, it appears still to be largely constrained by extrinsic phonon scattering processes, e.g., the electron-phonon process, in addition to intrinsic umklapp scattering. The thermoelectric power and Nernst effect seem to be strongly influenced by ambipolar transport of charge carriers with opposite signs in at least the high-temperature region above 200 K, which diminishes the thermoelectric power factor of this material. Our results provide a timely update to the transport properties of bulk black phosphorus for future fundamental and applied research.

  1. Design of surface modifications for nanoscale sensor applications.

    PubMed

    Reimhult, Erik; Höök, Fredrik

    2015-01-14

    Nanoscale biosensors provide the possibility to miniaturize optic, acoustic and electric sensors to the dimensions of biomolecules. This enables approaching single-molecule detection and new sensing modalities that probe molecular conformation. Nanoscale sensors are predominantly surface-based and label-free to exploit inherent advantages of physical phenomena allowing high sensitivity without distortive labeling. There are three main criteria to be optimized in the design of surface-based and label-free biosensors: (i) the biomolecules of interest must bind with high affinity and selectively to the sensitive area; (ii) the biomolecules must be efficiently transported from the bulk solution to the sensor; and (iii) the transducer concept must be sufficiently sensitive to detect low coverage of captured biomolecules within reasonable time scales. The majority of literature on nanoscale biosensors deals with the third criterion while implicitly assuming that solutions developed for macroscale biosensors to the first two, equally important, criteria are applicable also to nanoscale sensors. We focus on providing an introduction to and perspectives on the advanced concepts for surface functionalization of biosensors with nanosized sensor elements that have been developed over the past decades (criterion (iii)). We review in detail how patterning of molecular films designed to control interactions of biomolecules with nanoscale biosensor surfaces creates new possibilities as well as new challenges.

  2. Thermal transport in semicrystalline polyethylene by molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Lu, Tingyu; Kim, Kyunghoon; Li, Xiaobo; Zhou, Jun; Chen, Gang; Liu, Jun

    2018-01-01

    Recent research has highlighted the potential to achieve high-thermal-conductivity polymers by aligning their molecular chains. Combined with other merits, such as low-cost, corrosion resistance, and light weight, such polymers are attractive for heat transfer applications. Due to their quasi-one-dimensional structural nature, the understanding on the thermal transport in those ultra-drawn semicrystalline polymer fibers or films is still lacking. In this paper, we built the ideal repeating units of semicrystalline polyethylene and studied their dependence of thermal conductivity on different crystallinity and interlamellar topology using the molecular dynamics simulations. We found that the conventional models, such as the Choy-Young's model, the series model, and Takayanagi's model, cannot accurately predict the thermal conductivity of the quasi-one-dimensional semicrystalline polyethylene. A modified Takayanagi's model was proposed to explain the dependence of thermal conductivity on the bridge number at intermediate and high crystallinity. We also analyzed the heat transfer pathways and demonstrated the substantial role of interlamellar bridges in the thermal transport in the semicrystalline polyethylene. Our work could contribute to the understanding of the structure-property relationship in semicrystalline polymers and shed some light on the development of plastic heat sinks and thermal management in flexible electronics.

  3. Characterization of nanoscale oxide and oxyhydroxide powders using EXAFS spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Darab, J.G.; Linehan, J.C.; Matson, D.W.

    1993-06-01

    Extended x-ray absorption fine structure (EXAFS) spectroscopy has been used to determine the structural environment local to iron(HI) and zircorium(IV) cations in respectively, nanoscale iron oxyhydroxide and nanoscale zirconium oxide powders. The iron oxyhydroxide powder, produced by the modified reverse micelle (MRM) technology, was found to have a short-range structure most similar to that of goethite ([alpha]-FeOOH). The short-range structure of the zirconium oxide powder, produced using the rapid thermal decomposition of solutes (RTDS) technology, was found to be a mixture of monoclinic zirconia and cubic zirconia environments.

  4. Characterization of nanoscale oxide and oxyhydroxide powders using EXAFS spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Darab, J.G.; Linehan, J.C.; Matson, D.W.

    1993-06-01

    Extended x-ray absorption fine structure (EXAFS) spectroscopy has been used to determine the structural environment local to iron(HI) and zircorium(IV) cations in respectively, nanoscale iron oxyhydroxide and nanoscale zirconium oxide powders. The iron oxyhydroxide powder, produced by the modified reverse micelle (MRM) technology, was found to have a short-range structure most similar to that of goethite ({alpha}-FeOOH). The short-range structure of the zirconium oxide powder, produced using the rapid thermal decomposition of solutes (RTDS) technology, was found to be a mixture of monoclinic zirconia and cubic zirconia environments.

  5. Micromachined Chip Scale Thermal Sensor for Thermal Imaging.

    PubMed

    Shekhawat, Gajendra S; Ramachandran, Srinivasan; Jiryaei Sharahi, Hossein; Sarkar, Souravi; Hujsak, Karl; Li, Yuan; Hagglund, Karl; Kim, Seonghwan; Aden, Gary; Chand, Ami; Dravid, Vinayak P

    2018-02-27

    The lateral resolution of scanning thermal microscopy (SThM) has hitherto never approached that of mainstream atomic force microscopy, mainly due to poor performance of the thermal sensor. Herein, we report a nanomechanical system-based thermal sensor (thermocouple) that enables high lateral resolution that is often required in nanoscale thermal characterization in a wide range of applications. This thermocouple-based probe technology delivers excellent lateral resolution (∼20 nm), extended high-temperature measurements >700 °C without cantilever bending, and thermal sensitivity (∼0.04 °C). The origin of significantly improved figures-of-merit lies in the probe design that consists of a hollow silicon tip integrated with a vertically oriented thermocouple sensor at the apex (low thermal mass) which interacts with the sample through a metallic nanowire (50 nm diameter), thereby achieving high lateral resolution. The efficacy of this approach to SThM is demonstrated by imaging embedded metallic nanostructures in silica core-shell, metal nanostructures coated with polymer films, and metal-polymer interconnect structures. The nanoscale pitch and extremely small thermal mass of the probe promise significant improvements over existing methods and wide range of applications in several fields including semiconductor industry, biomedical imaging, and data storage.

  6. Size Effects in Nanoscale Structural Phenomena

    NASA Astrophysics Data System (ADS)

    McElhinny, Kyle Matthew

    The creation of nanostructures offers the opportunity to modify and tune properties in ways inaccessible in bulk materials. A key component in this development is the introduction of size effects which reduce the physical size, dimensionality, and increase the contribution of surface effects. The size effects strongly modify the structural dynamics in nanoscale systems and leads to changes in the vibrational, electrical, and optical properties. An increased level of understanding and control of nanoscale structural dynamics will enable more precise control over nanomaterial transport properties. My work has shown that 1D spatial confinement through the creation of semiconducting nanomembranes modifies the phonon population and dispersion. X ray thermal diffuse scattering distributions show an excess in intensity for nanomembranes less than 100 nm in thickness, for phonon modes with wavevectors spanning the entire Brillouin zone. This excess intensity indicates the development of new low energy phonon modes or the softening of elastic constants. Furthermore, an additional anisotropy in the phonon dispersion is observed with a symmetry matching the direction of spatial confinement. This work has also extended x ray thermal diffuse scattering for use in studying nanomaterials. In electro- and photoactive monolayers a structural reconfiguration can be produced by external optical stimuli. I have developed an electro and photoactive molecular monolayers on oxide surfaces. Using x ray reflectivity, I have evaluated the organization and reconfiguration of molecular monolayers deposited by Langmuir Blodgett technique. I have designed and probed the reconfiguration of optically reconfigurable monolayers of azobenzene donor molecules on semiconducting surfaces. These monolayers reconfigure through a cooperative switching process leading to the development of large isomeric domains. This work represents an advancement in the interpretation of x ray reflectivity from molecular

  7. Compact stochastic models for multidimensional quasiballistic thermal transport

    NASA Astrophysics Data System (ADS)

    Vermeersch, Bjorn

    2016-11-01

    The Boltzmann transport equation (BTE) has proven indispensable in elucidating quasiballistic heat dynamics. The experimental observations of nondiffusive thermal transients, however, are interpreted almost exclusively through purely diffusive formalisms that merely extract "effective" Fourier conductivities. Here, we build upon stochastic transport theory to provide a characterisation framework that blends the rich physics contained within the BTE solutions with the convenience of conventional analyses. The multidimensional phonon dynamics are described in terms of an isotropic Poissonian flight process with a rigorous Fourier-Laplace single pulse response P (ξ → ,s )=1 /[s +ψ(∥ ξ → ∥ )] . The spatial propagator ψ(∥ ξ → ∥ ) , unlike commonly reconstructed mean free path spectra κΣ(Λ) , serves as a genuine thermal blueprint of the medium that can be identified in a compact form directly from the raw measurement signals. Practical illustrations for transient thermal grating and time domain thermoreflectance experiments on respectively GaAs and InGaAs are provided.

  8. Thermal transport characterization of stanene/silicene heterobilayer and stanene bilayer nanostructures

    NASA Astrophysics Data System (ADS)

    Noshin, Maliha; Intisar Khan, Asir; Subrina, Samia

    2018-05-01

    Recently, stanene and silicene based nanostructures with low thermal conductivity have incited noteworthy interest due to their prospect in thermoelectrics. Aiming at the possibility of extracting lower thermal conductivity, in this study, we have proposed and modeled stanene/silicene heterobilayer nanoribbons, a new heterostructure and subsequently characterized their thermal transport by using an equilibrium molecular dynamics simulation. In addition, the thermal transport in bilayer stanene is also studied and compared. We have computed the thermal conductivity of the stanene/silicene and bilayer stanene nanostructures to characterize their thermal transport phenomena. The studied nanostructures show good thermal stability within the temperature range of 100-600 K. The room temperature thermal conductivities of pristine 10 nm × 3 nm stanene/silicene hetero-bilayer and stanene bilayer are estimated to be 3.63 ± 0.27 W m-1 K-1 and 1.31 ± 0.34 W m-1 K-1, respectively, which are smaller than that of silicene, graphene and some other 2D monolayers as well as heterobilayers such as stanene/graphene and silicene/graphene. In the temperature range of 100-600 K, the thermal conductivity of our studied bilayer nanoribbons decreases with an increase in the temperature. Furthermore, we have investigated the dependence of our estimated thermal conductivity on the size of the considered nanoribbons. The thermal conductivities of both the nanoribbons are found to increase with an increase in the width of the structure. The thermal conductivity shows a similar increasing trend with the increase in the ribbon length, as well. Our results suggest that, the low thermal conductivity of our studied bilayer structures can be further decreased by nanostructuring. The significantly low thermal conductivity of the stanene/silicene heterobilayer and stanene bilayer nanoribbons realized in our study would provide a good insight and encouragement into their appealing prospect in the

  9. Thermal transport characterization of stanene/silicene heterobilayer and stanene bilayer nanostructures.

    PubMed

    Noshin, Maliha; Khan, Asir Intisar; Subrina, Samia

    2018-05-04

    Recently, stanene and silicene based nanostructures with low thermal conductivity have incited noteworthy interest due to their prospect in thermoelectrics. Aiming at the possibility of extracting lower thermal conductivity, in this study, we have proposed and modeled stanene/silicene heterobilayer nanoribbons, a new heterostructure and subsequently characterized their thermal transport by using an equilibrium molecular dynamics simulation. In addition, the thermal transport in bilayer stanene is also studied and compared. We have computed the thermal conductivity of the stanene/silicene and bilayer stanene nanostructures to characterize their thermal transport phenomena. The studied nanostructures show good thermal stability within the temperature range of 100-600 K. The room temperature thermal conductivities of pristine 10 nm × 3 nm stanene/silicene hetero-bilayer and stanene bilayer are estimated to be 3.63 ± 0.27 W m -1 K -1 and 1.31 ± 0.34 W m -1 K -1 , respectively, which are smaller than that of silicene, graphene and some other 2D monolayers as well as heterobilayers such as stanene/graphene and silicene/graphene. In the temperature range of 100-600 K, the thermal conductivity of our studied bilayer nanoribbons decreases with an increase in the temperature. Furthermore, we have investigated the dependence of our estimated thermal conductivity on the size of the considered nanoribbons. The thermal conductivities of both the nanoribbons are found to increase with an increase in the width of the structure. The thermal conductivity shows a similar increasing trend with the increase in the ribbon length, as well. Our results suggest that, the low thermal conductivity of our studied bilayer structures can be further decreased by nanostructuring. The significantly low thermal conductivity of the stanene/silicene heterobilayer and stanene bilayer nanoribbons realized in our study would provide a good insight and encouragement into their appealing prospect

  10. Advanced phase change composite by thermally annealed defect-free graphene for thermal energy storage.

    PubMed

    Xin, Guoqing; Sun, Hongtao; Scott, Spencer Michael; Yao, Tiankai; Lu, Fengyuan; Shao, Dali; Hu, Tao; Wang, Gongkai; Ran, Guang; Lian, Jie

    2014-09-10

    Organic phase change materials (PCMs) have been utilized as latent heat energy storage and release media for effective thermal management. A major challenge exists for organic PCMs in which their low thermal conductivity leads to a slow transient temperature response and reduced heat transfer efficiency. In this work, 2D thermally annealed defect-free graphene sheets (GSs) can be obtained upon high temperature annealing in removing defects and oxygen functional groups. As a result of greatly reduced phonon scattering centers for thermal transport, the incorporation of ultralight weight and defect free graphene applied as nanoscale additives into a phase change composite (PCC) drastically improve thermal conductivity and meanwhile minimize the reduction of heat of fusion. A high thermal conductivity of the defect-free graphene-PCC can be achieved up to 3.55 W/(m K) at a 10 wt % graphene loading. This represents an enhancement of over 600% as compared to pristine graphene-PCC without annealing at a comparable loading, and a 16-fold enhancement than the pure PCM (1-octadecanol). The defect-free graphene-PCC displays rapid temperature response and superior heat transfer capability as compared to the pristine graphene-PCC or pure PCM, enabling transformational thermal energy storage and management.

  11. Magnetic superlattices and their nanoscale phase transition effects

    PubMed Central

    Cheon, Jinwoo; Park, Jong-Il; Choi, Jin-sil; Jun, Young-wook; Kim, Sehun; Kim, Min Gyu; Kim, Young-Min; Kim, Youn Joong

    2006-01-01

    The systematic assembly of nanoscale constituents into highly ordered superlattices is of significant interest because of the potential of their multifunctionalities and the discovery of new collective properties. However, successful observations of such superlattice-associated nanoscale phenomena are still elusive. Here, we present magnetic superlattices of Co and Fe3O4 nanoparticles with multidimensional symmetry of either AB (NaCl) or AB2 (AlB2). The discovery of significant enhancement (≈25 times) of ferrimagnetism is further revealed by forming previously undescribed superlattices of magnetically soft–hard Fe3O4@CoFe2O4 through the confined geometrical effect of thermally driven intrasuperlattice phase transition between the nanoparticulate components. PMID:16492783

  12. Nanoscale roughness contact in a slider-disk interface.

    PubMed

    Hua, Wei; Liu, Bo; Yu, Shengkai; Zhou, Weidong

    2009-07-15

    The nanoscale roughness contact between molecularly smooth surfaces of a slider-disk interface in a hard disk drive is analyzed, and the lubricant behavior at very high shear rate is presented. A new contact model is developed to study the nanoscale roughness contact behavior by classifying various forms of contact into slider-lubricant contact, slider-disk elastic contact and plastic contact. The contact pressure and the contact probabilities of the three types of contact are investigated. The new contact model is employed to explain and provide insight to an interesting experimental result found in a thermal protrusion slider. The protrusion budget for head surfing in the lubricant, which is the ideal state for contact recording, is also discussed.

  13. Heat guiding and focusing using ballistic phonon transport in phononic nanostructures

    PubMed Central

    Anufriev, Roman; Ramiere, Aymeric; Maire, Jeremie; Nomura, Masahiro

    2017-01-01

    Unlike classical heat diffusion at macroscale, nanoscale heat conduction can occur without energy dissipation because phonons can ballistically travel in straight lines for hundreds of nanometres. Nevertheless, despite recent experimental evidence of such ballistic phonon transport, control over its directionality, and thus its practical use, remains a challenge, as the directions of individual phonons are chaotic. Here, we show a method to control the directionality of ballistic phonon transport using silicon membranes with arrays of holes. First, we demonstrate that the arrays of holes form fluxes of phonons oriented in the same direction. Next, we use these nanostructures as directional sources of ballistic phonons and couple the emitted phonons into nanowires. Finally, we introduce thermal lens nanostructures, in which the emitted phonons converge at the focal point, thus focusing heat into a spot of a few hundred nanometres. These results motivate the concept of ray-like heat manipulations at the nanoscale. PMID:28516909

  14. Single well thermal tracer test, a new experimental set up for characterizing thermal transport in fractured media

    NASA Astrophysics Data System (ADS)

    de La Bernardie, Jérôme; Bour, Olivier; Guihéneuf, Nicolas; Chatton, Eliot; Labasque, Thierry; Longuevergne, Laurent; Le Lay, Hugo; Koch, Floriant; Gerard, Marie-Françoise; Le Borgne, Tanguy

    2017-04-01

    Thermal transport in fractured media depends on the hydrological properties of fractures and thermal characteristics of rock. Tracer tests using heat as tracer can thus be a good alternative to characterize fractured media for shallow geothermal needs. This study investigates the possibility of implementing a new thermal tracer test set up, the single well thermal tracer test, to characterize hydraulic and thermal transport properties of fractured crystalline rock. The experimental setup is based on injecting hot water in a fracture isolated by a double straddle packer in the borehole while pumping and monitoring the temperature in a fracture crossing the same borehole at greater elevation. One difficulty comes from the fact that injection and withdrawal are achieved in the same borehole involving thermal losses along the injection tube that may disturb the heat recovery signal. To be able to well localize the heat influx, we implemented a Fiber-Optic Distributed Temperature Sensing (FO-DTS) which allows the temperature monitoring with high spatial and temporal resolution (29 centimeters and 30 seconds respectively). Several tests, at different pumping and injection rates, were performed in a crystalline rock aquifer at the experimental site of Ploemeur (H+ observatory network). We show through signal processing how the thermal breakthrough may be extracted thanks to Fiber-Optic distributed temperature measurements. In particular, we demonstrate how detailed distributed temperature measurements were useful to identify different inflows and to estimate how much heat was transported and stored within the fractures network. Thermal breakthrough curves of single well thermal tracer tests were then interpreted with a simple analytical model to characterize hydraulic and thermal characteristics of the fractured media. We finally discuss the advantages of these tests compared to cross-borehole thermal tracer tests.

  15. Transport and retention of nanoscale C60 aggregates in water-saturated porous media.

    PubMed

    Wang, Yonggang; Li, Yusong; Fortner, John D; Hughes, Joseph B; Abriola, Linda M; Pennell, Kurt D

    2008-05-15

    Experimental and mathematical modeling studies were performed to investigate the transport and retention of nanoscale fullerene aggregates (nC60) in water-saturated porous media. Aqueous suspensions of nC60 aggregates (95 nm diameter, 1 to 3 mg/L) were introduced into columns packed with either glass beads or Ottawa sand at a Darcy velocity of 2.8 m/d. In the presence of 1.0 mM CaCl2, nC60 effluent breakthrough curves (BTCs) gradually increased to a maximum value and then declined sharply upon reintroduction of nC60-free solution. Retention of nC60 in glass bead columns ranged from 8 to 49% of the introduced mass, while up to 77% of the mass was retained in Ottawa sand columns. When nC60 suspensions were prepared in deionized water alone, effluent nC60 BTCs coincided with those of a nonreactive tracer (Br-), with minimal nC60 retention. Observed differences in nC60 transport and retention behavior in glass beads and Ottawa sand were consistent with independent batch retention data and theoretical calculations of electrostatic interactions between nC60 and the solid surfaces. Effluent concentration and retention profile data were accurately simulated using a numerical model that accounted for nC60 attachment kinetics and a limiting retention capacity.

  16. Understanding the impact of nanoscale aggregation on charge transport and structural dynamics in room temperature ionic liquids

    NASA Astrophysics Data System (ADS)

    Griffin, Philip; Holt, Adam; Wang, Yangyang; Sokolov, Alexei

    2015-03-01

    Amphiphilic room temperature ionic liquids (ILs) segregate on the nanoscale, forming intricate networks of charge-rich ionic domains intercalated with charge-poor aliphatic domains. While this structural phenomenon has been well established through x-ray diffraction studies and atomistic MD simulations, the precise effects of nanophase segregation on ion transport and structural dynamics in ILs remains poorly understood. Using a combination of broadband dielectric spectroscopy, light scattering spectroscopy, and rheology, we have characterized the ionic conductivity, structural dynamics, and shear viscosity of a homologous series of quaternary ammonium ionic liquids over a wide temperature range. Upon increasing the length and volume fraction of the alkyl side chains of these quaternary ammonium ILs, ionic conductivity decreases precipitously, although no corresponding slowing of the structural dynamics is observed. Instead, we identify the dynamical signature of supramolecular aggregates. Our results directly demonstrate the role that chemical structure and ionic aggregation plays in determining the charge transport properties of amphiphilic ILs.

  17. Design of Surface Modifications for Nanoscale Sensor Applications

    PubMed Central

    Reimhult, Erik; Höök, Fredrik

    2015-01-01

    Nanoscale biosensors provide the possibility to miniaturize optic, acoustic and electric sensors to the dimensions of biomolecules. This enables approaching single-molecule detection and new sensing modalities that probe molecular conformation. Nanoscale sensors are predominantly surface-based and label-free to exploit inherent advantages of physical phenomena allowing high sensitivity without distortive labeling. There are three main criteria to be optimized in the design of surface-based and label-free biosensors: (i) the biomolecules of interest must bind with high affinity and selectively to the sensitive area; (ii) the biomolecules must be efficiently transported from the bulk solution to the sensor; and (iii) the transducer concept must be sufficiently sensitive to detect low coverage of captured biomolecules within reasonable time scales. The majority of literature on nanoscale biosensors deals with the third criterion while implicitly assuming that solutions developed for macroscale biosensors to the first two, equally important, criteria are applicable also to nanoscale sensors. We focus on providing an introduction to and perspectives on the advanced concepts for surface functionalization of biosensors with nanosized sensor elements that have been developed over the past decades (criterion (iii)). We review in detail how patterning of molecular films designed to control interactions of biomolecules with nanoscale biosensor surfaces creates new possibilities as well as new challenges. PMID:25594599

  18. Dressed tunneling approximation for electronic transport through molecular transistors

    NASA Astrophysics Data System (ADS)

    Seoane Souto, R.; Yeyati, A. Levy; Martín-Rodero, A.; Monreal, R. C.

    2014-02-01

    A theoretical approach for the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. It consists of a resummation of the dominant Feynman diagrams from the perturbative expansion in the coupling to the leads. We show that this scheme eliminates the main pathologies found in previous simple analytical approaches for the polaronic regime. The results for the spectral and transport properties are compared with those from several other approaches for a wide range of parameters. The method can be formulated in a simple way to obtain the full counting statistics. Results for the shot and thermal noise are presented.

  19. History-dependent ion transport through conical nanopipettes and the implications in energy conversion dynamics at nanoscale interfaces† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc02195a Click here for additional data file.

    PubMed Central

    Li, Yan; Wang, Dengchao; Kvetny, Maksim M.; Brown, Warren; Liu, Juan

    2015-01-01

    The dynamics of ion transport at nanostructured substrate–solution interfaces play vital roles in high-density energy conversion, stochastic chemical sensing and biosensing, membrane separation, nanofluidics and fundamental nanoelectrochemistry. Further advancements in these applications require a fundamental understanding of ion transport at nanoscale interfaces. The understanding of the dynamic or transient transport, and the key physical process involved, is limited, which contrasts sharply with widely studied steady-state ion transport features at atomic and nanometer scale interfaces. Here we report striking time-dependent ion transport characteristics at nanoscale interfaces in current–potential (I–V) measurements and theoretical analyses. First, a unique non-zero I–V cross-point and pinched I–V curves are established as signatures to characterize the dynamics of ion transport through individual conical nanopipettes. Second, ion transport against a concentration gradient is regulated by applied and surface electrical fields. The concept of ion pumping or separation is demonstrated via the selective ion transport against concentration gradients through individual nanopipettes. Third, this dynamic ion transport process under a predefined salinity gradient is discussed in the context of nanoscale energy conversion in supercapacitor type charging–discharging, as well as chemical and electrical energy conversion. The analysis of the emerging current–potential features establishes the urgently needed physical foundation for energy conversion employing ordered nanostructures. The elucidated mechanism and established methodology can be generalized into broadly-defined nanoporous materials and devices for improved energy, separation and sensing applications. PMID:28706626

  20. Transport driven by biharmonic forces: impact of correlated thermal noise.

    PubMed

    Machura, L; Łuczka, J

    2010-09-01

    We study an inertial brownian particle moving in a symmetric periodic substrate, driven by a zero-mean biharmonic force and correlated thermal noise. The brownian motion is described in terms of a generalized Langevin equation with an exponentially correlated gaussian noise term, obeying the fluctuation-dissipation theorem. We analyze impact of nonzero correlation time of thermal noise on transport properties of the brownian particle. We identify regimes where the increase of the correlation time intensifies long-time transport of the brownian particle. The opposite effect is also found: longer correlation time reduces the stationary velocity of the particle. The correlation time induced multiple current reversal is detected. We reveal that thermal noise of nonzero correlation time can radically enhance long-time velocity of the brownian particle in regimes where in the white noise limit the velocity is extremely small. All transport properties can be tested in the setup consisting of a resistively and capacitively shunted Josephson junction device.

  1. Thermal transport in the Falicov-Kimball model

    NASA Astrophysics Data System (ADS)

    Freericks, J. K.; Zlatić, V.

    2001-12-01

    We prove the Jonson-Mahan theorem for the thermopower of the Falicov-Kimball model by solving explicitly for correlation functions in the large dimensional limit. We prove a similar result for the thermal conductivity. We separate the results for thermal transport into the pieces of the heat current that arise from the kinetic energy and those that arise from the potential energy. Our method of proof is specific to the Falicov-Kimball model, but illustrates the near cancellations between the kinetic- and potential-energy pieces of the heat current implied by the Jonson-Mahan theorem.

  2. A mobile Sn nanowire inside a β-Ga2 O3 tube: a practical nanoscale electrically/thermally driven switch.

    PubMed

    Zou, Rujia; Zhang, Zhenyu; Tian, Qiwei; Ma, Guanxing; Song, Guosheng; Chen, Zhigang; Hu, Junqing

    2011-12-02

    Nanoelectromechanical system switches are seen as key devices for fast switching in communication networks since they can be switched between transmitting and receiving states with an electrostatic command. Herein, the fabrication of practical, nanoscale electrically/thermally driven switches is reported based on a mobile Sn nanowire inside a β-Ga2 O3 tube. The melting point of Sn inside the Ga2 O3 tube is found to be as low as 58 °C-far below the value of bulk Sn (231.89 °C)-and its crystal phase (β-Sn) remains unchanged even at temperatures as low as -170 °C. Thus a miniaturization of the unique wide-temperature-range thermometer based on the linear thermal expansion of liquid Sn fillings in the Ga2 O3 tube is realized. In addition, the electrical properties of the Sn-nanowire-filled β-Ga2 O3 tubes are carefully determined: importantly, the resistance demonstrates a sudden drop (rise) when two Sn nanowires contact (separate), due to the thermally driven motion of the liquid Sn fillings inside the tube. Thus this structure can be switched between its on and off states by controlling the motion, merging or splitting, of the Sn nanowires inside the tube, either electrically, by applying a current, or thermally, at a predetermined temperature. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Exploring Ultimate Water Capillary Evaporation in Nanoscale Conduits.

    PubMed

    Li, Yinxiao; Alibakhshi, Mohammad Amin; Zhao, Yihong; Duan, Chuanhua

    2017-08-09

    Capillary evaporation in nanoscale conduits is an efficient heat/mass transfer strategy that has been widely utilized by both nature and mankind. Despite its broad impact, the ultimate transport limits of capillary evaporation in nanoscale conduits, governed by the evaporation/condensation kinetics at the liquid-vapor interface, have remained poorly understood. Here we report experimental study of the kinetic limits of water capillary evaporation in two dimensional nanochannels using a novel hybrid channel design. Our results show that the kinetic-limited evaporation fluxes break down the limits predicated by the classical Hertz-Knudsen equation by an order of magnitude, reaching values up to 37.5 mm/s with corresponding heat fluxes up to 8500 W/cm 2 . The measured evaporation flux increases with decreasing channel height and relative humidity but decreases as the channel temperature decreases. Our findings have implications for further understanding evaporation at the nanoscale and developing capillary evaporation-based technologies for both energy- and bio-related applications.

  4. Length-dependent thermal transport in one-dimensional self-assembly of planar π-conjugated molecules

    NASA Astrophysics Data System (ADS)

    Tang, Hao; Xiong, Yucheng; Zu, Fengshuo; Zhao, Yang; Wang, Xiaomeng; Fu, Qiang; Jie, Jiansheng; Yang, Juekuan; Xu, Dongyan

    2016-06-01

    This work reports a thermal transport study in quasi-one-dimensional organic nanostructures self-assembled from conjugated planar molecules via π-π interactions. Thermal resistances of single crystalline copper phthalocyanine (CuPc) and perylenetetracarboxylic diimide (PTCDI) nanoribbons are measured via a suspended thermal bridge method. We experimentally observed the deviation from the linear length dependence for the thermal resistance of single crystalline β-phase CuPc nanoribbons, indicating possible subdiffusion thermal transport. Interestingly, a gradual transition to the linear length dependence is observed with the increase of the lateral dimensions of CuPc nanoribbons. The measured thermal resistance of single crystalline CuPc nanoribbons shows an increasing trend with temperature. However, the trend of temperature dependence of thermal resistance is reversed after electron irradiation, i.e., decreasing with temperature, indicating that the single crystalline CuPc nanoribbons become `amorphous'. Similar behavior is also observed for PTCDI nanoribbons after electron irradiation, proving that the electron beam can induce amorphization of single crystalline self-assembled nanostructures of planar π-conjugated molecules. The measured thermal resistance of the `amorphous' CuPc nanoribbon demonstrates a roughly linear dependence on the nanoribbon length, suggesting that normal diffusion dominates thermal transport.This work reports a thermal transport study in quasi-one-dimensional organic nanostructures self-assembled from conjugated planar molecules via π-π interactions. Thermal resistances of single crystalline copper phthalocyanine (CuPc) and perylenetetracarboxylic diimide (PTCDI) nanoribbons are measured via a suspended thermal bridge method. We experimentally observed the deviation from the linear length dependence for the thermal resistance of single crystalline β-phase CuPc nanoribbons, indicating possible subdiffusion thermal transport

  5. Nanoscale charge distribution and energy band modification in defect-patterned graphene.

    PubMed

    Wang, Shengnan; Wang, Rui; Wang, Xiaowei; Zhang, Dongdong; Qiu, Xiaohui

    2012-04-21

    Defects were introduced precisely to exfoliated graphene (G) sheets on a SiO(2)/n(+) Si substrate to modulate the local energy band structure and the electron pathway using solution-phase oxidation followed by thermal reduction. The resulting nanoscale charge distribution and band gap modification were investigated by electrostatic force microscopy and spectroscopy. A transition phase with coexisting submicron-sized metallic and insulating regions in the moderately oxidized monolayer graphene were visualized and measured directly. It was determined that the delocalization of electrons/holes in a graphene "island" is confined by the surrounding defective C-O matrix, which acts as an energy barrier for mobile charge carriers. In contrast to the irreversible structural variations caused by the oxidation process, the electrical properties of graphene can be restored by annealing. The defect-patterned graphene and graphene oxide heterojunctions were further characterized by electrical transport measurement.

  6. Equilibrium Limit of Boundary Scattering in Carbon Nanostructures: Molecular Dynamics Calculations of Thermal Transport

    NASA Technical Reports Server (NTRS)

    Haskins, Justin; Kinaci, Alper; Sevik, Cem; Cagin, Tahir

    2012-01-01

    It is widely known that graphene and many of its derivative nanostructures have exceedingly high reported thermal conductivities (up to 4000 W/mK at 300 K). Such attractive thermal properties beg the use of these structures in practical devices; however, to implement these materials while preserving transport quality, the influence of structure on thermal conductivity should be thoroughly understood. For graphene nanostructures, having average phonon mean free paths on the order of one micron, a primary concern is how size influences the potential for heat conduction. To investigate this, we employ a novel technique to evaluate the lattice thermal conductivity from the Green-Kubo relations and equilibrium molecular dynamics in systems where phonon-boundary scattering dominates heat flow. Specifically, the thermal conductivities of graphene nanoribbons and carbon nanotubes are calculated in sizes up to 3 microns, and the relative influence of boundary scattering on thermal transport is determined to be dominant at sizes less than 1 micron, after which the thermal transport largely depends on the quality of the nanostructure interface. The method is also extended to carbon nanostructures (fullerenes) where phonon confinement, as opposed to boundary scattering, dominates, and general trends related to the influence of curvature on thermal transport in these materials are discussed.

  7. Thermal transport in bismuth telluride quintuple layer: mode-resolved phonon properties and substrate effects

    PubMed Central

    Shao, Cheng; Bao, Hua

    2016-01-01

    The successful exfoliation of atomically-thin bismuth telluride (Bi2Te3) quintuple layer (QL) attracts tremendous research interest in this strongly anharmonic quasi-two-dimensional material. The thermal transport properties of this material are not well understood, especially the mode-wise properties and when it is coupled with a substrate. In this work, we have performed molecular dynamics simulations and normal mode analysis to study the mode-resolved thermal transport in freestanding and supported Bi2Te3 QL. The detailed mode-wise phonon properties are calculated and the accumulated thermal conductivities with respect to phonon mean free path (MFP) are constructed. It is shown that 60% of the thermal transport is contributed by phonons with MFP longer than 20 nm. Coupling with a-SiO2 substrate leads to about 60% reduction of thermal conductivity. Through varying the interfacial coupling strength and the atomic mass of substrate, we also find that phonon in Bi2Te3 QL is more strongly scattered by interfacial potential and its transport process is less affected by the dynamics of substrate. Our study provides an in-depth understanding of heat transport in Bi2Te3 QL and is helpful in further tailoring its thermal property through nanostructuring. PMID:27263656

  8. Micro- and nano-scale characterization to study the thermal degradation of cement-based materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lim, Seungmin, E-mail: lim76@illinois.edu; Mondal, Paramita

    2014-06-01

    The degradation of hydration products of cement is known to cause changes in the micro- and nano-structure, which ultimately drive thermo-mechanical degradation of cement-based composite materials at elevated temperatures. However, a detailed characterization of these changes is still incomplete. This paper presents results of an extensive experimental study carried out to investigate micro- and nano-structural changes that occur due to exposure of cement paste to high temperatures. Following heat treatment of cement paste up to 1000 °C, damage states were studied by compressive strength test, thermogravimetric analysis (TGA), scanning electron microscopy (SEM) atomic force microscopy (AFM) and AFM image analysis.more » Using experimental results and research from existing literature, new degradation processes that drive the loss of mechanical properties of cement paste are proposed. The development of micro-cracks at the interface between unhydrated cement particles and paste matrix, a change in C–S–H nano-structure and shrinkage of C–S–H, are considered as important factors that cause the thermal degradation of cement paste. - Highlights: • The thermal degradation of hydration products of cement is characterized at micro- and nano-scale using scanning electron microscopy (SEM) and atomic force microscopy (AFM). • The interface between unhydrated cement particles and the paste matrix is considered the origin of micro-cracks. • When cement paste is exposed to temperatures above 300 ºC, the nano-structure of C-S-H becomes a more loosely packed globular structure, which could be indicative of C-S-H shrinkage.« less

  9. Predictive modeling of synergistic effects in nanoscale ion track formation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zarkadoula, Eva; Pakarinen, Olli H.; Xue, Haizhou

    Molecular dynamics techniques and the inelastic thermal spike model are used to study the coupled effects of inelastic energy loss due to 21 MeV Ni ion irradiation and pre-existing defects in SrTiO 3. We determine the dependence on pre-existing defect concentration of nanoscale track formation occurring from the synergy between the inelastic energy loss and the pre-existing atomic defects. We show that the nanoscale ion tracks’ size can be controlled by the concentration of pre-existing disorder. This work identifies a major gap in fundamental understanding concerning the role played by defects in electronic energy dissipation and electron–lattice coupling.

  10. Predictive modeling of synergistic effects in nanoscale ion track formation

    DOE PAGES

    Zarkadoula, Eva; Pakarinen, Olli H.; Xue, Haizhou; ...

    2015-08-05

    Molecular dynamics techniques and the inelastic thermal spike model are used to study the coupled effects of inelastic energy loss due to 21 MeV Ni ion irradiation and pre-existing defects in SrTiO 3. We determine the dependence on pre-existing defect concentration of nanoscale track formation occurring from the synergy between the inelastic energy loss and the pre-existing atomic defects. We show that the nanoscale ion tracks’ size can be controlled by the concentration of pre-existing disorder. This work identifies a major gap in fundamental understanding concerning the role played by defects in electronic energy dissipation and electron–lattice coupling.

  11. Variable-viscosity thermal hemodynamic slip flow conveying nanoparticles through a permeable-walled composite stenosed artery

    NASA Astrophysics Data System (ADS)

    Akbar, Noreen Sher; Tripathi, Dharmendra; Bég, O. Anwar

    2017-07-01

    This paper presents a mathematical model for simulating viscous, incompressible, steady-state blood flow containing copper nanoparticles and coupled heat transfer through a composite stenosed artery with permeable walls. Wall slip hydrodynamic and also thermal buoyancy effects are included. The artery is simulated as an isotropic elastic tube, following Joshi et al. (2009), and a variable viscosity formulation is employed for the flowing blood. The equations governing the transport phenomena are non-dimensionalized and the resulting boundary value problem is solved analytically in the steady state subject to physically appropriate boundary conditions. Numerical computations are conducted to quantify the effects of relevant hemodynamic, thermophysical and nanoscale parameters emerging in the model on velocity and temperature profiles, wall shear stress, impedance resistance and also streamline distributions. The model may be applicable to drug fate transport modeling with nanoparticle agents and also to the optimized design of nanoscale medical devices for diagnosing stenotic diseases in circulatory systems.

  12. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

    2001-01-01

    With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

  13. Thermal transport in phosphorene and phosphorene-based materials: A review on numerical studies

    NASA Astrophysics Data System (ADS)

    Hong, Yang; Zhang, Jingchao; Zeng, Xiao Cheng

    2018-03-01

    The recently discovered two-dimensional (2D) layered material phosphorene has attracted considerable interest as a promising p-type semiconducting material. In this article, we review the recent advances in numerical studies of the thermal properties of monolayer phosphorene and phosphorene-based heterostructures. We first briefly review the commonly used first-principles and molecular dynamics (MD) approaches to evaluate the thermal conductivity and interfacial thermal resistance of 2D phosphorene. Principles of different steady-state and transient MD techniques have been elaborated on in detail. Next, we discuss the anisotropic thermal transport of phosphorene in zigzag and armchair chiral directions. Subsequently, the in-plane and cross-plane thermal transport in phosphorene-based heterostructures such as phosphorene/silicon and phosphorene/graphene is summarized. Finally, the numerical research in the field of thermal transport in 2D phosphorene is highlighted along with our perspective of potentials and opportunities of 2D phosphorenes in electronic applications such as photodetectors, field-effect transistors, lithium ion batteries, sodium ion batteries, and thermoelectric devices.

  14. Space Transportation System Thermal Environmental Flux Reference Book

    NASA Technical Reports Server (NTRS)

    1979-01-01

    The information necessary to estimate the thermal environment in which proposed instruments will be expected to operate is presented in curves and tables which indicate the magnitude of the environmental fluxes which can be expected for various space transportation system missions.

  15. Investigation of anisotropic thermal transport in cross-linked polymers

    NASA Astrophysics Data System (ADS)

    Simavilla, David Nieto

    Thermal transport in lightly cross-linked polyisoprene and polybutadine subjected to uniaxial elongation is investigated experimentally. We employ two experimental techniques to assess the effect that deformation has on this class of materials. The first technique, which is based on Forced Rayleigh Scattering (FRS), allows us to measure the two independent components of the thermal diffusivity tensor as a function of deformation. These measurements along with independent measurements of the tensile stress and birefringence are used to evaluate the stress-thermal and stress-optic rules. The stress-thermal rule is found to be valid for the entire range of elongations applied. In contrast, the stress-optic rule fails for moderate to large stretch ratios. This suggests that the degree of anisotropy in thermal conductivity depends on both orientation and tension in polymer chain segments. The second technique, which is based on infrared thermography (IRT), allows us to measure anisotropy in thermal conductivity and strain induced changes in heat capacity. We validate this method measurements of anisotropic thermal conductivity by comparing them with those obtained using FRS. We find excellent agreement between the two techniques. Uncertainty in the infrared thermography method measurements is estimated to be about 2-5 %. The accuracy of the method and its potential application to non-transparent materials makes it a good alternative to extend current research on anisotropic thermal transport in polymeric materials. A second IRT application allows us to investigate the dependence of heat capacity on deformation. We find that heat capacity increases with stretch ratio in polyisoprene specimens under uniaxial extension. The deviation from the equilibrium value of heat capacity is consistent with an independent set of experiments comparing anisotropy in thermal diffusivity and conductivity employing FRS and IRT techniques. We identify finite extensibility and strain

  16. Thermal conductance of metallic atomic-size contacts: Phonon transport and Wiedemann-Franz law

    NASA Astrophysics Data System (ADS)

    Klöckner, J. C.; Matt, M.; Nielaba, P.; Pauly, F.; Cuevas, J. C.

    2017-11-01

    Motivated by recent experiments [Science 355, 1192 (2017), 10.1126/science.aam6622; Nat. Nanotechnol. 12, 430 (2017), 10.1038/nnano.2016.302], we present here an extensive theoretical analysis of the thermal conductance of atomic-size contacts made of three different metals, namely gold (Au), platinum (Pt), and aluminum (Al). The main goal of this work is to elucidate the role of phonons in the thermal transport through these atomic contacts as well as to study the validity of the Wiedemann-Franz law, which relates the electrical and the thermal conductance. For this purpose, we have employed two different custom-developed theoretical approaches. The first one is a transport method based on density functional theory (DFT) that allows one to accurately compute the contributions of both electrons and phonons to the thermal transport in few-atom-thick contacts. The second technique is based on a combination of classical molecular dynamics (MD) simulations and a tight-binding model that enables the efficient calculation of the electronic contribution to the thermal conductance of atomic contacts of larger size. Our DFT-based calculations show that the thermal conductance of few-atom contacts of Au and Pt is dominated by electrons, with phonons giving a contribution typically below 10% of the total thermal conductance, depending on the contact geometry. For these two metals we find that the small deviations from the Wiedemann-Franz law, reported experimentally, largely stem from phonons. In the case of Al contacts we predict that the phononic contribution can be considerably larger with up to 40% of the total thermal conductance. We show that these differences in the phononic contribution across metals originate mainly from their distinct Debye energies. On the other hand, our MD-based calculations demonstrate that the electronic contribution to the thermal conductance follows very closely the Wiedemann-Franz law, irrespective of the material and the contact size

  17. Cross-sectional scanning thermal microscopy of ErAs/GaAs superlattices grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Park, K. W.; Krivoy, E. M.; Nair, H. P.; Bank, S. R.; Yu, E. T.

    2015-07-01

    Scanning thermal microscopy has been implemented in a cross-sectional geometry, and its application for quantitative, nanoscale analysis of thermal conductivity is demonstrated in studies of an ErAs/GaAs nanocomposite superlattice. Spurious measurement effects, attributable to local thermal transport through air, were observed near large step edges, but could be eliminated by thermocompression bonding to an additional structure. Using this approach, bonding of an ErAs/GaAs superlattice grown on GaAs to a silicon-on-insulator wafer enabled thermal signals to be obtained simultaneously from Si, SiO2, GaAs, and ErAs/GaAs superlattice. When combined with numerical modeling, the thermal conductivity of the ErAs/GaAs superlattice measured using this approach was 11 ± 4 W m-1 K-1.

  18. Cross-sectional scanning thermal microscopy of ErAs/GaAs superlattices grown by molecular beam epitaxy.

    PubMed

    Park, K W; Krivoy, E M; Nair, H P; Bank, S R; Yu, E T

    2015-07-03

    Scanning thermal microscopy has been implemented in a cross-sectional geometry, and its application for quantitative, nanoscale analysis of thermal conductivity is demonstrated in studies of an ErAs/GaAs nanocomposite superlattice. Spurious measurement effects, attributable to local thermal transport through air, were observed near large step edges, but could be eliminated by thermocompression bonding to an additional structure. Using this approach, bonding of an ErAs/GaAs superlattice grown on GaAs to a silicon-on-insulator wafer enabled thermal signals to be obtained simultaneously from Si, SiO2, GaAs, and ErAs/GaAs superlattice. When combined with numerical modeling, the thermal conductivity of the ErAs/GaAs superlattice measured using this approach was 11 ± 4 W m(-1) K(-1).

  19. Thermal transport in tantalum oxide films for memristive applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Landon, Colin D.; Wilke, Rudeger H. T.; Brumbach, Michael T.

    2015-07-13

    The thermal conductivity of amorphous TaO{sub x} memristive films having variable oxygen content is measured using time domain thermoreflectance. Thermal transport is described by a two-part model where the electrical contribution is quantified via the Wiedemann-Franz relation and the vibrational contribution by the minimum thermal conductivity limit for amorphous solids. The vibrational contribution remains constant near 0.9 W/mK regardless of oxygen concentration, while the electrical contribution varies from 0 to 3.3 W/mK. Thus, the dominant thermal carrier in TaO{sub x} switches between vibrations and charge carriers and is controllable either by oxygen content during deposition, or dynamically by field-induced charge state migration.

  20. Influence of permeability on nanoscale zero-valent iron particle transport in saturated homogeneous and heterogeneous porous media.

    PubMed

    Strutz, Tessa J; Hornbruch, Götz; Dahmke, Andreas; Köber, Ralf

    2016-09-01

    Nanoscale zero-valent iron (NZVI) particles can be used for in situ groundwater remediation. The spatial particle distribution plays a very important role in successful and efficient remediation, especially in heterogeneous systems. Initial sand permeability (k 0) influences on spatial particle distributions were investigated and quantified in homogeneous and heterogeneous systems within the presented study. Four homogeneously filled column experiments and a heterogeneously filled tank experiment, using different median sand grain diameters (d 50), were performed to determine if NZVI particles were transported into finer sand where contaminants could be trapped. More NZVI particle retention, less particle transport, and faster decrease in k were observed in the column studies using finer sands than in those using coarser sands, reflecting a function of k 0. In heterogeneous media, NZVI particles were initially transported and deposited in coarse sand areas. Increasing the retained NZVI mass (decreasing k in particle deposition areas) caused NZVI particles to also be transported into finer sand areas, forming an area with a relatively homogeneous particle distribution and converged k values despite the different grain sizes present. The deposited-particle surface area contribution to the increasing of the matrix surface area (θ) was one to two orders of magnitude higher for finer than coarser sand. The dependency of θ on d 50 presumably affects simulated k changes and NZVI distributions in numerical simulations of NZVI injections into heterogeneous aquifers. The results implied that NZVI can in principle also penetrate finer layers.

  1. Innovative polymer nanocomposite electrolytes: nanoscale manipulation of ion channels by functionalized graphenes.

    PubMed

    Choi, Bong Gill; Hong, Jinkee; Park, Young Chul; Jung, Doo Hwan; Hong, Won Hi; Hammond, Paula T; Park, Hoseok

    2011-06-28

    The chemistry and structure of ion channels within the polymer electrolytes are of prime importance for studying the transport properties of electrolytes as well as for developing high-performance electrochemical devices. Despite intensive efforts on the synthesis of polymer electrolytes, few studies have demonstrated enhanced target ion conduction while suppressing unfavorable ion or mass transport because the undesirable transport occurs through an identical pathway. Herein, we report an innovative, chemical strategy for the synthesis of polymer electrolytes whose ion-conducting channels are physically and chemically modulated by the ionic (not electronic) conductive, functionalized graphenes and for a fundamental understanding of ion and mass transport occurring in nanoscale ionic clusters. The functionalized graphenes controlled the state of water by means of nanoscale manipulation of the physical geometry and chemical functionality of ionic channels. Furthermore, the confinement of bound water within the reorganized nanochannels of composite membranes was confirmed by the enhanced proton conductivity at high temperature and the low activation energy for ionic conduction through a Grotthus-type mechanism. The selectively facilitated transport behavior of composite membranes such as high proton conductivity and low methanol crossover was attributed to the confined bound water, resulting in high-performance fuel cells.

  2. Compact modeling of nanoscale triple-gate junctionless transistors covering drift-diffusion to quasi-ballistic carrier transport

    NASA Astrophysics Data System (ADS)

    Oproglidis, T. A.; Karatsori, T. A.; Barraud, S.; Ghibaudo, G.; Dimitriadis, C. A.

    2018-04-01

    In this work, we extend our analytical compact model for nanoscale junctionless triple-gate (JL TG) MOSFETs, capturing carrier transport from drift-diffusion to quasi-ballistic regime. This is based on a simple formulation of the low-field mobility extracted from experimental data using the Y-function method, taking into account the ballistic carrier motion and an increased carrier scattering in process-induced defects near the source/drain regions. The case of a Schottky junction in non-ideal ohmic contact at the drain side was also taken into account by modifying the threshold voltage and ideality factor of the JL transistor. The model is validated with experimental data for n-channel JL TG MOSFETs with channel length varying from 95 down to 25 nm. It can be easily implemented as a compact model for use in Spice circuit simulators.

  3. Phonon Speed, Not Scattering, Differentiates Thermal Transport in Lead Halide Perovskites.

    PubMed

    Elbaz, Giselle A; Ong, Wee-Liat; Doud, Evan A; Kim, Philip; Paley, Daniel W; Roy, Xavier; Malen, Jonathan A

    2017-09-13

    Thermal management plays a critical role in the design of solid state materials for energy conversion. Lead halide perovskites have emerged as promising candidates for photovoltaic, thermoelectric, and optoelectronic applications, but their thermal properties are still poorly understood. Here, we report on the thermal conductivity, elastic modulus, and sound speed of a series of lead halide perovskites MAPbX 3 (X = Cl, Br, I), CsPbBr 3 , and FAPbBr 3 (MA = methylammonium, FA = formamidinium). Using frequency domain thermoreflectance, we find that the room temperature thermal conductivities of single crystal lead halide perovskites range from 0.34 to 0.73 W/m·K and scale with sound speed. These results indicate that regardless of composition, thermal transport arises from acoustic phonons having similar mean free path distributions. A modified Callaway model with Born von Karmen-based acoustic phonon dispersion predicts that at least ∼70% of thermal conductivity results from phonons having mean free paths shorter than 100 nm, regardless of whether resonant scattering is invoked. Hence, nanostructures or crystal grains with dimensions smaller than 100 nm will appreciably reduce thermal transport. These results are important design considerations to optimize future lead halide perovskite-based photovoltaic, optoelectronic, and thermoelectric devices.

  4. On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

    DOE PAGES

    Yang, Jiong; Xi, Lili; Qiu, Wujie; ...

    2016-02-26

    During the last two decades, we have witnessed great progress in research on thermoelectrics. There are two primary focuses. One is the fundamental understanding of electrical and thermal transport, enabled by the interplay of theory and experiment; the other is the substantial enhancement of the performance of various thermoelectric materials, through synergistic optimisation of those intercorrelated transport parameters. In this article, we review some of the successful strategies for tuning electrical and thermal transport. For electrical transport, we start from the classical but still very active strategy of tuning band degeneracy (or band convergence), then discuss the engineering of carriermore » scattering, and finally address the concept of conduction channels and conductive networks that emerge in complex thermoelectric materials. For thermal transport, we summarise the approaches for studying thermal transport based on phonon–phonon interactions valid for conventional solids, as well as some quantitative efforts for nanostructures. We also discuss the thermal transport in complex materials with chemical-bond hierarchy, in which a portion of the atoms (or subunits) are weakly bonded to the rest of the structure, leading to an intrinsic manifestation of part-crystalline part-liquid state at elevated temperatures. In this review, we provide a summary of achievements made in recent studies of thermoelectric transport properties, and demonstrate how they have led to improvements in thermoelectric performance by the integration of modern theory and experiment, and point out some challenges and possible directions.« less

  5. Thermal conductivity of Rene 41 honeycomb panels. [space transportation vehicles

    NASA Technical Reports Server (NTRS)

    Deriugin, V.

    1980-01-01

    Effective thermal conductivities of Rene 41 panels suitable for advanced space transportation vehicle structures were determined analytically and experimentally for temperature ranges between 20.4K (423 F) and 1186K (1675 F). The cryogenic data were obtained using a cryostat whereas the high temperature data were measured using a heat flow meter and a comparative thermal conductivity instrument respectively. Comparisons were made between analysis and experimental data. Analytical methods appear to provide reasonable definition of the honeycomb panel effective thermal conductivities.

  6. Nanoscale Heat Conduction in Crystalline Solids

    NASA Astrophysics Data System (ADS)

    Christenson, Joel; Phillips, Ronald

    Heat conduction in crystalline solids occurs through the motion of molecular-scale vibrations, or phonons. In continuum scale problems, there are sufficient phonon-phonon interactions for local equilibrium to be established, and heat conduction is accurately described by Fourier's law. However, at length scales comparable to the phonon mean free path, Fourier's law becomes inaccurate, and more fundamental descriptions of heat transfer are required. We are investigating the viability of the phonon Boltzmann Transport Equation (BTE) to describe heat conduction in nanoscale simulations of the high-explosive material β-HMX. By using a combination of numerical and analytic solutions of the BTE, we demonstrate the existence of physical behavior that is not qualitatively captured by the classical Fourier's law in the nanoscale regime. The results are interpreted in terms of continuum-scale simulations of shock-induced collapse of air-filled pores in β-HMX, which is believed to be a precursory step towards complete detonation of the material.

  7. Reduction of Thermal Conductivity in Nanowires by Combined Engineering of Crystal Phase and Isotope Disorder.

    PubMed

    Mukherjee, S; Givan, U; Senz, S; de la Mata, M; Arbiol, J; Moutanabbir, O

    2018-05-09

    Nanowires are a versatile platform to investigate and harness phonon and thermal transport phenomena in nanoscale systems. With this perspective, we demonstrate herein the use of crystal phase and mass disorder as effective degrees of freedom to manipulate the behavior of phonons and control the flow of local heat in silicon nanowires. The investigated nanowires consist of isotopically pure and isotopically mixed nanowires bearing either a pure diamond cubic or a cubic-rhombohedral polytypic crystal phase. The nanowires with tailor-made isotopic compositions were grown using isotopically enriched silane precursors 28 SiH 4 , 29 SiH 4 , and 30 SiH 4 with purities better than 99.9%. The analysis of polytypic nanowires revealed ordered and modulated inclusions of lamellar rhombohedral silicon phases toward the center in otherwise diamond-cubic lattice with negligible interphase biaxial strain. Raman nanothermometry was employed to investigate the rate at which the local temperature of single suspended nanowires evolves in response to locally generated heat. Our analysis shows that the lattice thermal conductivity in nanowires can be tuned over a broad range by combining the effects of isotope disorder and the nature and degree of polytypism on phonon scattering. We found that the thermal conductivity can be reduced by up to ∼40% relative to that of isotopically pure nanowires, with the lowest value being recorded for the rhombohedral phase in isotopically mixed 28 Si x 30 Si 1- x nanowires with composition close to the highest mass disorder ( x ∼ 0.5). These results shed new light on the fundamentals of nanoscale thermal transport and lay the groundwork to design innovative phononic devices.

  8. Thermal transport in tantalum oxide films for memristive applications

    DOE PAGES

    Landon, Colin Donald; Wilke, Rudeger H. T.; Brumbach, Michael T.; ...

    2015-07-15

    The thermal conductivity of amorphous TaO x memristive films having variable oxygen content is measured using time domain thermoreflectance. Furthermore, the thermal transport is described by a two-partmodel where the electrical contribution is quantified via the Wiedemann-Franz relation and the vibrational contribution by the minimum thermal conductivity limit for amorphous solids. Additionally, the vibrational contribution remains constant near 0.9 W/mK regardless of oxygen concentration, while the electrical contribution varies from 0 to 3.3 W/mK. Thus, the dominant thermal carrier in TaO x switches between vibrations and charge carriers and is controllable either by oxygen content during deposition, or dynamically bymore » field-induced charge state migration.« less

  9. Nano-scale zero valent iron transport in a variable aperture dolomite fracture and a glass fracture

    NASA Astrophysics Data System (ADS)

    Mondal, P.; Sleep, B. E.; Cui, Z.; Zhou, Z.

    2014-12-01

    Experiments and numerical simulations are being performed to understand the transport behavior of carboxymethyl cellulose polymer stabilized nano-scale zero valent iron (nZVI) in a variable aperture dolomite rock fracture and a variable aperture glass replica of a fractured slate. The rock fracture was prepared by artificially inducing a fracture in a dolomite block along a stylolite, and the glass fracture was prepared by creating molds with melted glass on two opposing sides of a fractured slate rock block. Both of the fractures were 0.28 m in length and 0.21 m in width. Equivalent hydraulic apertures are about 110 microns for the rock fracture and 250 microns for the glass replica fracture. Sodium bromide and lissamine green B (LGB) serve as conservative tracers in the rock fracture and glass replica fracture, respectively. A dark box set-up with a light source and digital camera is being used to visualize the LGB and CMC-nZVI movement in the glass fracture. Experiments are being performed to determine the effects of water specific discharge and CMC concentration on nZVI transport in the fractures. Transmission electron microscopy, dynamic light scattering, and UV-visual spectrophotometry were performed to determine the stability and characteristics of the CMC-nZVI mixture. The transport of bromide, LGB, CMC, and CMC-nZVI in both fractures is being evaluated through analysis of the effluent concentrations. Time-lapse images are also being captured for the glass fracture. Bromide, LGB, and CMC recoveries have exceeded 95% in both fractures. Significant channeling has been observed in the fractures for CMC transport due to viscous effects.

  10. Collective thermal transport in pure and alloy semiconductors.

    PubMed

    Torres, Pol; Mohammed, Amr; Torelló, Àlvar; Bafaluy, Javier; Camacho, Juan; Cartoixà, Xavier; Shakouri, Ali; Alvarez, F Xavier

    2018-03-07

    Conventional models for predicting thermal conductivity of alloys usually assume a pure kinetic regime as alloy scattering dominates normal processes. However, some discrepancies between these models and experiments at very small alloy concentrations have been reported. In this work, we use the full first principles kinetic collective model (KCM) to calculate the thermal conductivity of Si 1-x Ge x and In x Ga 1-x As alloys. The calculated thermal conductivities match well with the experimental data for all alloy concentrations. The model shows that the collective contribution must be taken into account at very low impurity concentrations. For higher concentrations, the collective contribution is suppressed, but normal collisions have the effect of significantly reducing the kinetic contribution. The study thus shows the importance of the proper inclusion of normal processes even for alloys for accurate modeling of thermal transport. Furthermore, the phonon spectral distribution of the thermal conductivity is studied in the framework of KCM, providing insights to interpret the superdiffusive regime introduced in the truncated Lévy flight framework.

  11. Molecular Photovoltaics in Nanoscale Dimension

    PubMed Central

    Burtman, Vladimir; Zelichonok, Alexander; Pakoulev, Andrei V.

    2011-01-01

    This review focuses on the intrinsic charge transport in organic photovoltaic (PVC) devices and field-effect transistors (SAM-OFETs) fabricated by vapor phase molecular self-assembly (VP-SAM) method. The dynamics of charge transport are determined and used to clarify a transport mechanism. The 1,4,5,8-naphthalene-tetracarboxylic diphenylimide (NTCDI) SAM devices provide a useful tool to study the fundamentals of polaronic transport at organic surfaces and to discuss the performance of organic photovoltaic devices in nanoscale. Time-resolved photovoltaic studies allow us to separate the charge annihilation kinetics in the conductive NTCDI channel from the overall charge kinetic in a SAM-OFET device. It has been demonstrated that tuning of the type of conductivity in NTCDI SAM-OFET devices is possible by changing Si substrate doping. Our study of the polaron charge transfer in organic materials proposes that a cation-radical exchange (redox) mechanism is the major transport mechanism in the studied SAM-PVC devices. The role and contribution of the transport through delocalized states of redox active surface molecular aggregates of NTCDI are exposed and investigated. This example of technological development is used to highlight the significance of future technological development of nanotechnologies and to appreciate a structure-property paradigm in organic nanostructures. PMID:21339983

  12. Nanoscale growth twins in sputtered metal films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Misra, Amit; Anderoglu, Osman; Hoagland, Richard G

    2008-01-01

    We review recent studies on the mechanical properties of sputtered Cu and 330 stainless steel films with {l_brace}1 1 1{r_brace} nanoscale growth twins preferentially oriented perpendicular to growth direction. The mechanisms of formation of growth twins during sputtering and the deformation mechanisms that enable usually high strengths in nanotwinned structures are highlighted. Growth twins in sputtered films possess good thermal stability at elevated temperature, providing an approach to extend the application of high strength nanostructured metals to higher temperatures.

  13. An anti-bacterial approach to nanoscale roughening of biomimetic rice-like pattern PP by thermal annealing

    NASA Astrophysics Data System (ADS)

    Jafari Nodoushan, Emad; Ebrahimi, Nadereh Golshan; Ayazi, Masoumeh

    2017-11-01

    In this paper, we introduced thermal annealing treatment as an effective way of increasing the nanoscale roughness of a semi-crystalline polymer surface. Annealing treatment applied to a biomimetic microscale pattern of rice leaf to achieve a superhydrophobic surface with a hierarchical roughness. Resulted surfaces was characterized by XRD, AFM and FE-SEM instruments and showed an increase of roughness and cristallinity within both time and temperature of treatment. These two parameters also impact on measured static contact angle up to 158°. Bacterial attachment potency has an inverse relationship with the similarity of surface pattern dimensions and bacterial size and due to that, thermal annealing could be an effective way to create anti-bacterial surface beyond its effect on water repellency. Point in case, the anti-bacterial properties of produced water-repellence surfaces of PP were measured and counted colonies of both gram-negative (E. coli) and gram-positive (S. aureus) bacteria reduced with the nature of PP and hierarchical pattern on that. Anti-bacterial characterization of the resulted surface reveals a stunning reduction in adhesion of gram-positive bacteria to the surface. S. aureus reduction rates equaled to 95% and 66% when compared to control blank plate and smooth surface of PP. Moreover, it also could affect the other type of bacteria, gram-negative (E. coli). In the latter case, adhesion reduction rates calculated 66% and 53% when against to the same controls, respectively.

  14. Assessment of thermal load on transported goats administered with ascorbic acid during the hot-dry conditions

    NASA Astrophysics Data System (ADS)

    Minka, N. S.; Ayo, J. O.

    2012-03-01

    The major factor in the induction of physiological stress during road transportation of livestock is the complex fluctuations of the thermal transport microenvironment, encountered when animals are transported across different ecological zones. Recommended guidelines on optimum "on-board" conditions in which goats should be transported are lacking, and there are no acceptable ranges and limits for the thermal loads to which goats may be subjected during long-distance road transportation in hot-dry conditions. Panting score (PS), rectal temperature (RT), heart rate (HR) and respiratory rate (RR) were employed as reliable stress indices to assess the effects of different thermal loads, measured as temperature humidity index (THI), encountered in the vehicle during 12 h of road transportation of 40 goats, and to suggest the administration of 100 mg/kg body weight of ascorbic acid (AA) as an ameliorating agent. The results obtained showed that the PS, RT, HR and RR rose above normal reference values with increase in the THI and journey duration. The rise in PS value, which is a visual indicator of the severity of thermal load, was the most pronounced. The results suggest that values of THI in the vehicle up to 94.6 constitute no risk, while at of 100 it presents a moderate risk and above 100 may result in severe stress. The relationships between the thermal load and the physiological variables were positive and significant ( P < 0.05). They reflect the degree of stress imposed by each THI value during the transportation, and may be used as recommended ranges and limit thermal load values in transported goats. The results demonstrated that administration of 100 mg/kg body weight of AA before road transportation mitigated the risk of adverse effects of high THI values and other stress factors due to road transportation in goats.

  15. Thermal transport in the Fermi-Pasta-Ulam model with long-range interactions

    NASA Astrophysics Data System (ADS)

    Bagchi, Debarshee

    2017-03-01

    We study the thermal transport properties of the one-dimensional Fermi-Pasta-Ulam model (β type) with long-range interactions. The strength of the long-range interaction decreases with the (shortest) distance between the lattice sites as distance-δ, where δ ≥0 . Two Langevin heat baths at unequal temperatures are connected to the ends of the one-dimensional lattice via short-range harmonic interactions that drive the system away from thermal equilibrium. In the nonequilibrium steady state the heat current, thermal conductivity, and temperature profiles are computed by solving the equations of motion numerically. It is found that the conductivity κ has an interesting nonmonotonic dependence with δ with a maximum at δ =2.0 for this model. Moreover, at δ =2.0 ,κ diverges almost linearly with system size N and the temperature profile has a negligible slope, as one expects in ballistic transport for an integrable system. We demonstrate that the nonmonotonic behavior of the conductivity and the nearly ballistic thermal transport at δ =2.0 obtained under nonequilibrium conditions can be explained consistently by studying the variation of largest Lyapunov exponent λmax with δ , and excess energy diffusion in the equilibrium microcanonical system.

  16. Thermal infrared near-field spectroscopy.

    PubMed

    Jones, Andrew C; Raschke, Markus B

    2012-03-14

    Despite the seminal contributions of Kirchhoff and Planck describing far-field thermal emission, fundamentally distinct spectral characteristics of the electromagnetic thermal near-field have been predicted. However, due to their evanescent nature their direct experimental characterization has remained elusive. Combining scattering scanning near-field optical microscopy with Fourier-transform spectroscopy using a heated atomic force microscope tip as both a local thermal source and scattering probe, we spectroscopically characterize the thermal near-field in the mid-infrared. We observe the spectrally distinct and orders of magnitude enhanced resonant spectral near-field energy density associated with vibrational, phonon, and phonon-polariton modes. We describe this behavior and the associated distinct on- and off-resonance nanoscale field localization with model calculations of the near-field electromagnetic local density of states. Our results provide a basis for intrinsic and extrinsic resonant manipulation of optical forces, control of nanoscale radiative heat transfer with optical antennas, and use of this new technique of thermal infrared near-field spectroscopy for broadband chemical nanospectroscopy. © 2012 American Chemical Society

  17. Phason thermal transport of three-helix state in insulating chiral magnets

    NASA Astrophysics Data System (ADS)

    Tatara, Gen

    2018-06-01

    Thermal dynamics of the three-helix state in a chiral magnet is studied based on a phason representation. Although phason representation is convenient for intuitive description, it is not straightforwardly compatible with microscopic linear response calculation of transport phenomena, because it is a (semi)macroscopic picture obtained by a coarse graining. By separating the slow phason mode and fast magnon mode, we show that phason thermal dynamics is driven by thermal magnon flow via the spin-transfer effect. The magnon and phason velocities are calculated by use of thermal vector potential formalism.

  18. Ultra-low Thermal Conductivity in Si/Ge Hierarchical Superlattice Nanowire.

    PubMed

    Mu, Xin; Wang, Lili; Yang, Xueming; Zhang, Pu; To, Albert C; Luo, Tengfei

    2015-11-16

    Due to interfacial phonon scattering and nanoscale size effect, silicon/germanium (Si/Ge) superlattice nanowire (SNW) can have very low thermal conductivity, which is very attractive for thermoelectrics. In this paper, we demonstrate using molecular dynamics simulations that the already low thermal conductivity of Si/Ge SNW can be further reduced by introducing hierarchical structure to form Si/Ge hierarchical superlattice nanowire (H-SNW). The structural hierarchy introduces defects to disrupt the periodicity of regular SNW and scatters coherent phonons, which are the key contributors to thermal transport in regular SNW. Our simulation results show that periodically arranged defects in Si/Ge H-SNW lead to a ~38% reduction of the already low thermal conductivity of regular Si/Ge SNW. By randomizing the arrangement of defects and imposing additional surface complexities to enhance phonon scattering, further reduction in thermal conductivity can be achieved. Compared to pure Si nanowire, the thermal conductivity reduction of Si/Ge H-SNW can be as large as ~95%. It is concluded that the hierarchical structuring is an effective way of reducing thermal conductivity significantly in SNW, which can be a promising path for improving the efficiency of Si/Ge-based SNW thermoelectrics.

  19. Ultra-low Thermal Conductivity in Si/Ge Hierarchical Superlattice Nanowire

    PubMed Central

    Mu, Xin; Wang, Lili; Yang, Xueming; Zhang, Pu; To, Albert C.; Luo, Tengfei

    2015-01-01

    Due to interfacial phonon scattering and nanoscale size effect, silicon/germanium (Si/Ge) superlattice nanowire (SNW) can have very low thermal conductivity, which is very attractive for thermoelectrics. In this paper, we demonstrate using molecular dynamics simulations that the already low thermal conductivity of Si/Ge SNW can be further reduced by introducing hierarchical structure to form Si/Ge hierarchical superlattice nanowire (H-SNW). The structural hierarchy introduces defects to disrupt the periodicity of regular SNW and scatters coherent phonons, which are the key contributors to thermal transport in regular SNW. Our simulation results show that periodically arranged defects in Si/Ge H-SNW lead to a ~38% reduction of the already low thermal conductivity of regular Si/Ge SNW. By randomizing the arrangement of defects and imposing additional surface complexities to enhance phonon scattering, further reduction in thermal conductivity can be achieved. Compared to pure Si nanowire, the thermal conductivity reduction of Si/Ge H-SNW can be as large as ~95%. It is concluded that the hierarchical structuring is an effective way of reducing thermal conductivity significantly in SNW, which can be a promising path for improving the efficiency of Si/Ge-based SNW thermoelectrics. PMID:26568511

  20. Charge transport in nanostructured materials: Implementation and verification of constrained density functional theory

    DOE PAGES

    Goldey, Matthew B.; Brawand, Nicholas P.; Voros, Marton; ...

    2017-04-20

    The in silico design of novel complex materials for energy conversion requires accurate, ab initio simulation of charge transport. In this work, we present an implementation of constrained density functional theory (CDFT) for the calculation of parameters for charge transport in the hopping regime. We verify our implementation against literature results for molecular systems, and we discuss the dependence of results on numerical parameters and the choice of localization potentials. In addition, we compare CDFT results with those of other commonly used methods for simulating charge transport between nanoscale building blocks. As a result, we show that some of thesemore » methods give unphysical results for thermally disordered configurations, while CDFT proves to be a viable and robust approach.« less

  1. Enhancement of thermal transport in Gel Polymer Electrolytes with embedded BN/Al2O3 nano- and micro-particles

    NASA Astrophysics Data System (ADS)

    Vishwakarma, Vivek; Jain, Ankur

    2017-09-01

    While Gel Polymer Electrolytes (GPEs) have been widely investigated for use in next-generation Li-ion cells due to the potential for improved thermal safety, thermal transport within a GPE is still poorly understood. Among all materials in a Li-ion cell, the GPE has the lowest thermal conductivity, and hence determines the overall rate of heat flow in a Li-ion cell. This makes it critical to measure and understand thermal transport in a GPE and investigate trade-offs between thermal and ionic transport. This paper presents measurements of thermal and ionic conductivities in a PVdF-based GPE. The effect of incorporating BN/Al2O3 ceramic nano/microparticles in the GPE on thermal and ionic transport is characterized. Measurements indicate up to 2.5X improvement in thermal conductivity of activated GPE membranes, with relatively minor effect on electrochemical performance of GPE-based single-layer cells. The measured enhancement in thermal conductivity is in very good agreement with theoretical calculations based on the effective medium theory that accounts for thermal transport in a dispersed, two-phase medium such as a GPE. The fundamental insights gained in this work on thermal transport in a GPE and the role of nano/microparticle inclusions may facilitate thermal-electrochemical optimization and design of GPEs for safe, high-performance Li-ion cells.

  2. Substrate thermal conductivity controls the ability to manufacture microstructures via laser-induced direct write

    NASA Astrophysics Data System (ADS)

    Tomko, John A.; Olson, David H.; Braun, Jeffrey L.; Kelliher, Andrew P.; Kaehr, Bryan; Hopkins, Patrick E.

    2018-01-01

    In controlling the thermal properties of the surrounding environment, we provide insight into the underlying mechanisms driving the widely used laser direct write method for additive manufacturing. We find that the onset of silver nitrate reduction for the formation of direct write structures directly corresponds to the calculated steady-state temperature rises associated with both continuous wave and high-repetition rate, ultrafast pulsed laser systems. Furthermore, varying the geometry of the heat affected zone, which is controllable based on in-plane thermal diffusion in the substrate, and laser power, allows for control of the written geometries without any prior substrate preparation. These findings allow for the advance of rapid manufacturing of micro- and nanoscale structures with minimal material constraints through consideration of the laser-controllable thermal transport in ionic liquid/substrate media.

  3. First-principles study of intrinsic phononic thermal transport in monolayer C3N

    NASA Astrophysics Data System (ADS)

    Gao, Yan; Wang, Haifeng; Sun, Maozhu; Ding, Yingchun; Zhang, Lichun; Li, Qingfang

    2018-05-01

    Very recently, a new graphene-like crystalline, hole-free, 2D-single-layer carbon nitride C3N, has been fabricated by polymerization of 2,3-diaminophenazine and used to fabricate a field-effect transistor device with an on-off current ratio reaching 5. 5 ×1010 (Adv. Mater. 2017, 1605625). Heat dissipation plays a vital role in its practical applications, and therefore the thermal transport properties need to be explored urgently. In this paper, we perform first-principles calculations combined with phonon Boltzmann transport equation to investigate the phononic thermal transport properties of monolayer C3N, and meanwhile, a comparison with graphene is given. Our calculated intrinsic lattice thermal conductivity of C3N is 380 W/mK at room temperature, which is one order of magnitude lower than that of graphene (3550 W/mK at 300 K), but is greatly higher than many other typical 2D materials. The underlying mechanisms governing the thermal transport were thoroughly discussed and compared to graphene, including group velocities, phonon relax time, the contribution from phonon branches, phonon anharmonicity and size effect. The fundamental physics understood from this study may shed light on further studies of the newly fabricated 2D crystalline C3N sheets.

  4. Nanoprocess and nanoscale surface functionalization on cathode materials for advanced lithium-ion batteries.

    PubMed

    Alaboina, Pankaj Kumar; Uddin, Md-Jamal; Cho, Sung-Jin

    2017-10-26

    Nanotechnology-driven development of cathode materials is an essential part to revolutionize the evolution of the next generation lithium ion batteries. With the progress of nanoprocess and nanoscale surface modification investigations on cathode materials in recent years, the advanced battery technology future seems very promising - Thanks to nanotechnology. In this review, an overview of promising nanoscale surface deposition methods and their significance in surface functionalization on cathodes is extensively summarized. Surface modified cathodes are provided with a protective layer to overcome the electrochemical performance limitations related to side reactions with electrolytes, reduce self-discharge reactions, improve thermal and structural stability, and further enhance the overall battery performance. The review addresses the importance of nanoscale surface modification on battery cathodes and concludes with a comparison of the different nanoprocess techniques discussed to provide a direction in the race to build advanced lithium-ion batteries.

  5. Discrete Diffusion Monte Carlo for Electron Thermal Transport

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Cao, Duc; Wollaeger, Ryan; Moses, Gregory

    2014-10-01

    The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. is adapted to a Discrete Diffusion Monte Carlo (DDMC) solution method for eventual inclusion in a hybrid IMC-DDMC (Implicit Monte Carlo) method. The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the iSNB-DDMC method will be presented. This work was supported by Sandia National Laboratory - Albuquerque.

  6. Thermally activated charge transport in microbial protein nanowires

    PubMed Central

    Lampa-Pastirk, Sanela; Veazey, Joshua P.; Walsh, Kathleen A.; Feliciano, Gustavo T.; Steidl, Rebecca J.; Tessmer, Stuart H.; Reguera, Gemma

    2016-01-01

    The bacterium Geobacter sulfurreducens requires the expression of conductive protein filaments or pili to respire extracellular electron acceptors such as iron oxides and uranium and to wire electroactive biofilms, but the contribution of the protein fiber to charge transport has remained elusive. Here we demonstrate efficient long-range charge transport along individual pili purified free of metal and redox organic cofactors at rates high enough to satisfy the respiratory rates of the cell. Carrier characteristics were within the orders reported for organic semiconductors (mobility) and inorganic nanowires (concentration), and resistivity was within the lower ranges reported for moderately doped silicon nanowires. However, the pilus conductance and the carrier mobility decreased when one of the tyrosines of the predicted axial multistep hopping path was replaced with an alanine. Furthermore, low temperature scanning tunneling microscopy demonstrated the thermal dependence of the differential conductance at the low voltages that operate in biological systems. The results thus provide evidence for thermally activated multistep hopping as the mechanism that allows Geobacter pili to function as protein nanowires between the cell and extracellular electron acceptors. PMID:27009596

  7. Thermally activated charge transport in microbial protein nanowires

    NASA Astrophysics Data System (ADS)

    Lampa-Pastirk, Sanela; Veazey, Joshua P.; Walsh, Kathleen A.; Feliciano, Gustavo T.; Steidl, Rebecca J.; Tessmer, Stuart H.; Reguera, Gemma

    2016-03-01

    The bacterium Geobacter sulfurreducens requires the expression of conductive protein filaments or pili to respire extracellular electron acceptors such as iron oxides and uranium and to wire electroactive biofilms, but the contribution of the protein fiber to charge transport has remained elusive. Here we demonstrate efficient long-range charge transport along individual pili purified free of metal and redox organic cofactors at rates high enough to satisfy the respiratory rates of the cell. Carrier characteristics were within the orders reported for organic semiconductors (mobility) and inorganic nanowires (concentration), and resistivity was within the lower ranges reported for moderately doped silicon nanowires. However, the pilus conductance and the carrier mobility decreased when one of the tyrosines of the predicted axial multistep hopping path was replaced with an alanine. Furthermore, low temperature scanning tunneling microscopy demonstrated the thermal dependence of the differential conductance at the low voltages that operate in biological systems. The results thus provide evidence for thermally activated multistep hopping as the mechanism that allows Geobacter pili to function as protein nanowires between the cell and extracellular electron acceptors.

  8. Thermally activated charge transport in microbial protein nanowires.

    PubMed

    Lampa-Pastirk, Sanela; Veazey, Joshua P; Walsh, Kathleen A; Feliciano, Gustavo T; Steidl, Rebecca J; Tessmer, Stuart H; Reguera, Gemma

    2016-03-24

    The bacterium Geobacter sulfurreducens requires the expression of conductive protein filaments or pili to respire extracellular electron acceptors such as iron oxides and uranium and to wire electroactive biofilms, but the contribution of the protein fiber to charge transport has remained elusive. Here we demonstrate efficient long-range charge transport along individual pili purified free of metal and redox organic cofactors at rates high enough to satisfy the respiratory rates of the cell. Carrier characteristics were within the orders reported for organic semiconductors (mobility) and inorganic nanowires (concentration), and resistivity was within the lower ranges reported for moderately doped silicon nanowires. However, the pilus conductance and the carrier mobility decreased when one of the tyrosines of the predicted axial multistep hopping path was replaced with an alanine. Furthermore, low temperature scanning tunneling microscopy demonstrated the thermal dependence of the differential conductance at the low voltages that operate in biological systems. The results thus provide evidence for thermally activated multistep hopping as the mechanism that allows Geobacter pili to function as protein nanowires between the cell and extracellular electron acceptors.

  9. Investigation of thermal energy transport interface of hybrid graphene-carbon nanotube/polyethylene nanocomposites.

    PubMed

    Liu, Feng; Liu, Xuyang; Hu, Ning; Ning, Huiming; Atobe, Satoshi; Yan, Cheng; Mo, Fuhao; Fu, Shaoyun; Zhang, Jianyu; Wang, Yu; Mu, Xiaojing

    2017-10-31

    It is well known the thermal properties of three-dimensional (3-D) hybrid graphene (GR)-carbon nanotube (CNT) structures are not superior to that of the individual GR and CNT, however, the 3-D hybrid GR-CNT structures can effectively improve the thermal properties of polymer matrix. Therefore, understanding the thermal energy transport in the interface between polymer matrix and 3-D hybrid GR-CNT structure is essential. Here, the enhancement mechanism of interfacial thermal transport of hybrid GR-CNT structure was explored by applying non-equilibrium molecular dynamics (NEMD) simulations. Three different types of hybrid GR-CNT structures were built. The influences of CNT radius and CNT type for the hybrid GR-CNT on the interfacial thermal properties were also analyzed. Computational results show that among the three different types of hybrid GR-CNT structures, the Model-I, i.e., the covalent bond hybrid GR-CNT structures are of the best interfacial thermal properties. Meanwhile, the CNT radius of hybrid GR-CNT structure has a great influence on the interfacial thermal properties.

  10. Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor

    DOE PAGES

    Lindsay, Lucas R.; Parker, David S.

    2015-10-01

    We present first principles calculations of the thermal and electronic transport properties of the oxide semiconductor CdO. In particular, we find from theory that the accepted thermal conductivity κ value of 0.7 Wm -1K -1 is approximately one order of magnitude too small; our calculations of κ of CdO are in good agreement with recent measurements. We also find that alloying of MgO with CdO is an effective means to reduce the lattice contribution to κ, despite MgO having a much larger thermal conductivity. We further consider the electronic structure of CdO in relation to thermoelectric performance, finding that largemore » thermoelectric power factors may occur if the material can be heavily doped p-type. This work develops insight into the nature of thermal and electronic transport in an important oxide semiconductor.« less

  11. Band Degeneracy, Low Thermal Conductivity, and High Thermoelectric Figure of Merit in SnTe-CaTe Alloys

    NASA Astrophysics Data System (ADS)

    Al Rahal Al Orabi, R.; Mecholsky, N.; Hwang, J. P.; Kim, W.; Rhyee, J. S.; Wee, D.; Fornari, M.

    Pure lead-free SnTe has limited thermoelectric potentials because of the low Seebeck coeffcients and the relatively large thermal conductivity. In this study, we provide experimental evidence and theoretical understanding that alloying SnTe with Ca greatly improves the transport properties leading to ZT of 1.35 at 873 K, the highest ZT value so far reported for singly doped SnTe materials. The introduction of Ca (0-9%) in SnTe induces multiple effects: (1) Ca replaces Sn and reduces the hole concentration due to Sn vacancies, (2) the energy gap increases limiting the bipolar transport, (3) several bands with larger effective masses become active in transport, and (4) the lattice thermal conductivity is reduced of about 70% due to the contribution of concomitant scattering terms associated with the alloy disorder and the presence of nanoscale precipitates. An effciency of 10% (for ΔT = 400 K) was predicted for high temperature thermoelectric power generation using SnTe-based n- and p-type materials.

  12. Nano-scale imaging and spectroscopy of plasmonic systems, thermal near-fields, and phase separation in complex oxides

    NASA Astrophysics Data System (ADS)

    Jones, Andrew C.

    Optical spectroscopy represents a powerful characterization technique with the ability to directly interact with the electronic, spin, and lattice excitations in matter. In addition, through implementation of ultrafast techniques, further insight into the real-time dynamics of elementary interactions can be gained. However, the resolution of far-field microscopy techniques is restricted by the diffraction limit setting a spatial resolution limit in the 100s nm to micron range for visible and IR light, respectively. This resolution is too coarse for the characterization of mesoscopic phenomena in condensed matter physics. The development of experimental techniques with nanoscale resolution and sensitivity to optical fields has been a long standing obstacle to the characterization of condensed matter systems on their natural length scales. This dissertation focuses on the fundamental near-field optical properties of surfaces and nanoscale systems as well as the utilization of nano-optical techniques, specifically apertureless scattering-type Scanning Near-field Optical Microscopy (s-SNOM), to characterize said optical properties with nanometer scale resolution. First, the s-SNOM characterization of the field enhancement associated with the localized surface plasmon resonances on metallic structures is discussed. With their ability to localize light, plasmonic nano-structures are promising candidate systems to serve as molecular sensors and nano-photonic devices; however, it is well known that particle morphology and the plasmon resonance alone do not uniquely reflect the details of the local field distribution. Here, I demonstrate the use interferometric s-SNOM for imaging of the near-fields associated with plasmonic resonances of crystalline triangular silver nano-prisms in the visible spectral range. I subsequently show the extension of the concept of a localized plasmon into the mid-IR spectral range with the characterization of near-fields of silver nano

  13. Measuring phonon mean free path distributions by probing quasiballistic phonon transport in grating nanostructures

    DOE PAGES

    Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; ...

    2015-11-27

    Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domainmore » thermoreflectance measurements and simultaneously act as wiregrid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. Furthermore, this table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials.« less

  14. Thermal transport across metal–insulator interface via electron–phonon interaction.

    PubMed

    Zhang, Lifa; Lü, Jing-Tao; Wang, Jian-Sheng; Li, Baowen

    2013-11-06

    The thermal transport across a metal–insulator interface can be characterized by electron–phonon interaction through which an electron lead is coupled to a phonon lead if phonon–phonon coupling at the interface is very weak. We investigate the thermal conductance and rectification between the electron part and the phonon part using the nonequilibrium Green's function method. It is found that the thermal conductance has a nonmonotonic behavior as a function of average temperature or the coupling strength between the phonon leads in the metal part and the insulator part. The metal–insulator interface shows a clear thermal rectification effect, which can be reversed by a change in average temperature or the electron–phonon coupling.

  15. Development and Testing of a Variable Conductance Thermal Acquisition, Transport, and Switching System

    NASA Technical Reports Server (NTRS)

    Bugby, David C.; Farmer, Jeffery T.; Stouffer, Charles J.

    2013-01-01

    This paper describes the development and testing of a scalable thermal management architecture for instruments, subsystems, or systems that must operate in severe space environments with wide variations in sink temperature. The architecture involves a serial linkage of one or more hot-side variable conductance heat pipes (VCHPs) to one or more cold-side loop heat pipes (LHPs). The VCHPs provide wide area heat acquisition, limited distance thermal transport, modest against gravity pumping, concentrated LHP startup heating, and high switching ratio variable conductance operation. The LHPs provide localized heat acquisition, long distance thermal transport, significant against gravity pumping, and high switching ratio variable conductance operation. The single-VCHP, single-LHP system described herein was developed to maintain thermal control of a small robotic lunar lander throughout the lunar day-night thermal cycle. It is also applicable to other variable heat rejection space missions in severe environments. Operationally, despite a 60-70% gas blocked VCHP condenser during ON testing, the system was still able to provide 2-4 W/K ON conductance, 0.01 W/K OFF conductance, and an end-to-end switching ratio of 200-400. The paper provides a detailed analysis of VCHP condenser performance, which quantified the gas blockage situation. Future multi-VCHP/multi-LHP thermal management system concepts that provide power/transport length scalability are also discussed.

  16. THERMAL-ENERGY STORAGE IN A DEEP SANDSTONE AQUIFER IN MINNESOTA: FIELD OBSERVATIONS AND THERMAL ENERGY-TRANSPORT MODELING.

    USGS Publications Warehouse

    Miller, R.T.

    1986-01-01

    A study of the feasibility of storing heated water in a deep sandstone aquifer in Minnesota is described. The aquifer consists of four hydraulic zones that are areally anisotropic and have average hydraulic conductivities that range from 0. 03 to 1. 2 meters per day. A preliminary axially symmetric, nonisothermal, isotropic, single-phase, radial-flow, thermal-energy-transport model was constructed to investigate the sensitivity of model simulation to various hydraulic and thermal properties of the aquifer. A three-dimensional flow and thermal-energy transport model was constructed to incorporate the areal anisotropy of the aquifer. Analytical solutions of equations describing areally anisotropic groundwater flow around a doublet-well system were used to specify model boundary conditions for simulation of heat injection. The entire heat-injection-testing period of approximately 400 days was simulated. Model-computed temperatures compared favorably with field-recorded temperatures, with differences of no more than plus or minus 8 degree C. For each test cycle, model-computed aquifer thermal efficiency, defined as total heat withdrawn divided by total heat injected, was within plus or minus 2% of the field-calculated values.

  17. Electrical and Thermal Transport Property Studies of High-Temperature Thermoelectric Materials.

    DTIC Science & Technology

    1984-12-15

    Transport Property Studies of High-Temperature Thermoelectric Mateial 12. PERSONAL AUTHIOR(S) 113. TYPE OF REPORT 13b. TIME COVERED Ai DATE OF REPORtT (Yr...with an ABO(3 perovskite structure. Transport properties have been determined for various doping ele- ments and for different compositions. These data...THERMAL TRANSPORT PROPERTY STUDIES Unannounced [j OF HIGH-TEMPERATURE THERMOELECTRIC MATERIALS Justi±icI iou. CONTRACT F-49620-83-0109 DEF By-- Battelle

  18. Model Mismatch Paradigm for Probe based Nanoscale Imaging

    NASA Astrophysics Data System (ADS)

    Agarwal, Pranav

    Scanning Probe Microscopes (SPMs) are widely used for investigation of material properties and manipulation of matter at the nanoscale. These instruments are considered critical enablers of nanotechnology by providing the only technique for direct observation of dynamics at the nanoscale and affecting it with sub Angstrom resolution. Current SPMs are limited by low throughput and lack of quantitative measurements of material properties. Various applications like the high density data storage, sub-20 nm lithography, fault detection and functional probing of semiconductor circuits, direct observation of dynamical processes involved in biological samples viz. motor proteins and transport phenomena in various materials demand high throughput operation. Researchers involved in material characterization at nanoscale are interested in getting quantitative measurements of stiffness and dissipative properties of various materials in a least invasive manner. In this thesis, system theoretic concepts are used to address these limitations. The central tenet of the thesis is to model, the known information about the system and then focus on perturbations of these known dynamics or model, to sense the effects due to changes in the environment such as changes in material properties or surface topography. Thus a model mismatch paradigm for probe based nanoscale imaging is developed. The topic is developed by presenting physics based modeling of a particular mode of operation of SPMs called the dynamic mode operation. This mode is modeled as a forced Lure system where a linear time invariant system is in feedback with an unknown static memoryless nonlinearity. Tools from averaging theory are used to tame this complex nonlinear system by approximating it as a linear system with time varying parameters. Material properties are thus transformed from being parameters of unknown nonlinear functions to being unknown coefficients of a linear plant. The first contribution of this thesis

  19. Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations

    NASA Astrophysics Data System (ADS)

    Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P.; Charles, James; Miao, Kai; Kubis, Tillmann; Fisher, Timothy S.

    2017-02-01

    Heat transfer across metal-semiconductor interfaces involves multiple fundamental transport mechanisms such as elastic and inelastic phonon scattering, and electron-phonon coupling within the metal and across the interface. The relative contributions of these different transport mechanisms to the interface conductance remains unclear in the current literature. In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of the different scattering mechanisms to the thermal interface conductance of epitaxial CoSi2-Si interfaces. An important development in the present work is the direct computation of interfacial bonding from density functional perturbation theory (DFPT) and hence the avoidance of commonly used "mixing rules" to obtain the cross-interface force constants from bulk material force constants. Another important algorithmic development is the integration of the recursive Green's function (RGF) method with Büttiker probe scattering that enables computationally efficient simulations of inelastic phonon scattering and its contribution to the thermal interface conductance. First-principles calculations of electron-phonon coupling reveal that cross-interface energy transfer between metal electrons and atomic vibrations in the semiconductor is mediated by delocalized acoustic phonon modes that extend on both sides of the interface, and phonon modes that are localized inside the semiconductor region of the interface exhibit negligible coupling with electrons in the metal. We also provide a direct comparison between simulation predictions and experimental measurements of thermal interface conductance of epitaxial CoSi2-Si interfaces using the time-domain thermoreflectance technique. Importantly, the experimental results, performed across a wide temperature range, only agree well with

  20. Nanoscale interfacial heat transport of ultrathin epitaxial hetero films: Few monolayer Pb(111) on Si(111)

    NASA Astrophysics Data System (ADS)

    Witte, T.; Frigge, T.; Hafke, B.; Krenzer, B.; Horn-von Hoegen, M.

    2017-06-01

    We studied the phononic heat transport from ultrathin epitaxial Pb(111) films across the heterointerface into a Si(111) substrate by means of ultrafast electron diffraction. The thickness of the Pb films was varied from 15 to 4 monolayers. It was found that the thermal boundary conductance σTBC of the heterointerface is independent of the film thickness. We have no evidence for finite size effects: the continuum description of heat transport is still valid, even for the thinnest films of only 4 monolayer thickness.

  1. Vibrational Heat Transport in Molecular Junctions

    NASA Astrophysics Data System (ADS)

    Segal, Dvira; Agarwalla, Bijay Kumar

    2016-05-01

    We review studies of vibrational energy transfer in a molecular junction geometry, consisting of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup is of interest for applications in molecular electronics, thermoelectrics, and nanophononics, and for addressing basic questions in the theory of classical and quantum transport. Calculations show that system size, disorder, structure, dimensionality, internal anharmonicities, contact interaction, and quantum coherent effects are factors that combine to determine the predominant mechanism (ballistic/diffusive), effectiveness (poor/good), and functionality (linear/nonlinear) of thermal conduction at the nanoscale. We review recent experiments and relevant calculations of quantum heat transfer in molecular junctions. We recount the Landauer approach, appropriate for the study of elastic (harmonic) phononic transport, and outline techniques that incorporate molecular anharmonicities. Theoretical methods are described along with examples illustrating the challenge of reaching control over vibrational heat conduction in molecules.

  2. Direct optical imaging of nanoscale internal organization of polymer films

    NASA Astrophysics Data System (ADS)

    Suran, Swathi; Varma, Manoj

    2018-02-01

    Owing to its sensitivity and precise control at the nanoscale, polyelectrolytes have been immensely used to modify surfaces. Polyelectrolyte multilayers are generally water made and are easy to fabricate on any surface by the layer-by-layer (LbL) self-assembly process due to electrostatic interactions. Polyelectrolyte multilayers or PEMs can be assembled to form ultrathin membranes which can have potential applications in water filtration and desalination [1-3]. Hydration in PEMs is a consequence of both the bulk and surface phenomenon [4-7]. Bulk behavior of polymer membranes are well understood. Several techniques including reflectivity and contact angle measurements were used to measure the hydration in the bulk of polymer membranes [4, 8]. On the other hand their internal organization at the molecular level which can have a profound contribution in the transport mechanism, are not understood well. Previously, we engineered a technique, which we refer to as Bright-field Nanoscopy, which allows nanoscale optical imaging using local heterogeneities in a water-soluble germanium (Ge) thin film ( 25 nm thick) deposited on gold [8]. We use this technique to study the water transport in PEMs. It is understood that the surface charge and outer layers of the PEMs play a significant role in water transport through polymers [9-11]. This well-known `odd-even' effect arising on having different surface termination of the PEMs was optically observed with a spatial resolution unlike any other reported previously [12]. In this communication, we report that on increasing the etchant's concentration, one can control the lateral etching of the Ge film. This allowed the visualization of the nanoscale internal organization in the PEMs. Knowledge of the internal structure would allow one to engineer polymer membranes specific to applications such as drug delivering capsules, ion transport membranes and barriers etc. We also demonstrate a mathematical model involving a surface

  3. New Frontier in Probing Fluid Transport in Low-Permeability Geomedia: Applications of Elastic and Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Ding, M.; Hjelm, R.; Sussman, A. J.

    2016-12-01

    Low-permeability geomedia are prevalent in subsurface environments. They have become increasingly important in a wide range of applications such as CO2-sequestration, hydrocarbon recovery, enhanced geothermal systems, legacy waste stewardship, high-level radioactive waste disposal, and global security. The flow and transport characteristics of low-permeability geomedia are dictated by their exceedingly low permeability values ranging from 10-6 to 10-12 darcy with porosities dominated by nanoscale pores. Developing new characterization methods and robust computational models that allow estimation of transport properties of low-permeability geomedia has been identified as a critical basic research and technology development need for controlling subsurface and fluids flow. Due to its sensibility to hydrogen and flexible sample environment, neutron based elastic and inelastic scattering can, through various techniques, interrogate all the nanoscale pores in the sample whether they are fluid accessible or not, and readily characterize interfacial waters. In this presentation, we will present two studies revealing the effects of nanoscale pore confinement on fluid dynamics in geomedia. In one study, we use combined (ultra-small)/small-angle elastic neutron scatterings to probe nanoporous features responses in geological materials to transport processes. In the other study, incoherent inelastic neutron scattering was used to distingwish between intergranular pore water and fluid inclusion moisture in bedded rock salt, and to explore their thermal stablibility. Our work demonstrates that neutron based elastic and inelastic scatterings are techniques of choice for in situ probing hydrocarbon and water behavior in nanoporous materials, providing new insights into water-rock interaction and fluids transport in low-permeability geomaterials.

  4. Thermally Cross-Linkable Hole Transport Materials for Solution Processed Phosphorescent OLEDs

    NASA Astrophysics Data System (ADS)

    Kim, Beom Seok; Kim, Ohyoung; Chin, Byung Doo; Lee, Chil Won

    2018-04-01

    Materials for unique fabrication of a solution-processed, multi-layered organic light-emitting diode (OLED) were developed. Preparation of a hole transport layer with a thermally cross-linkable chemical structure, which can be processed to form a thin film and then transformed into an insoluble film by using an amine-alcohol condensation reaction with heat treatment, was investigated. Functional groups, such as triplenylamine linked with phenylcarbazole or biphenyl, were employed in the chemical structure of the hole transport layer in order to maintain high triplet energy properties. When phenylcarbazole or biphenyl compounds continuously react with triphenylamine under acid catalysis, a chemically stable thin film material with desirable energy-level properties for a blue OLED could be obtained. The prepared hole transport materials showed excellent surface roughness and thermal stability in comparison with the commercial reference material. On the solution-processed model hole transport layer, we fabricated a device with a blue phosphorescent OLED by using sequential vacuum deposition. The maximum external quantum, 19.3%, was improved by more than 40% over devices with the commercial reference material (11.4%).

  5. Interaction of Chemical Agents with Nanoscale Molecular Junctions

    DTIC Science & Technology

    2011-08-01

    thiS burden to Department of Defense. Washilgton Headqualters Services. Directorate for lnformatie~n Operations and Reports (07()4.()188), 1215...The source of these contaminants were determined to be coming from the glovebox auxiliary vacuum pump, which normally operates continuously for...SAM- NHi NH2-SAM-Gold] molecular junction for analysis. In order to perform electron transport analysis of our nanoscale devices in a "real world

  6. Thermal modelling of normal distributed nanoparticles through thickness in an inorganic material matrix

    NASA Astrophysics Data System (ADS)

    Latré, S.; Desplentere, F.; De Pooter, S.; Seveno, D.

    2017-10-01

    Nanoscale materials showing superior thermal properties have raised the interest of the building industry. By adding these materials to conventional construction materials, it is possible to decrease the total thermal conductivity by almost one order of magnitude. This conductivity is mainly influenced by the dispersion quality within the matrix material. At the industrial scale, the main challenge is to control this dispersion to reduce or even eliminate thermal bridges. This allows to reach an industrially relevant process to balance out the high material cost and their superior thermal insulation properties. Therefore, a methodology is required to measure and describe these nanoscale distributions within the inorganic matrix material. These distributions are either random or normally distributed through thickness within the matrix material. We show that the influence of these distributions is meaningful and modifies the thermal conductivity of the building material. Hence, this strategy will generate a thermal model allowing to predict the thermal behavior of the nanoscale particles and their distributions. This thermal model will be validated by the hot wire technique. For the moment, a good correlation is found between the numerical results and experimental data for a randomly distributed form of nanoparticles in all directions.

  7. In-pile Thermal Conductivity Characterization with Time Resolved Raman

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Xinwei; Hurley, David H.

    The project is designed to achieve three objectives: (1) Develop a novel time resolved Raman technology for direct measurement of fuel and cladding thermal conductivity. (2) Validate and improve the technology development by measuring ceramic materials germane to the nuclear industry. (3) Conduct instrumentation development to integrate optical fiber into our sensing system for eventual in-pile measurement. We have developed three new techniques: time-domain differential Raman (TD-Raman), frequency-resolved Raman (FR-Raman), and energy transport state-resolved Raman (ET-Raman). The TD-Raman varies the laser heating time and does simultaneous Raman thermal probing, the FR-Raman probes the material’s thermal response under periodical laser heatingmore » of different frequencies, and the ET-Raman probes the thermal response under steady and pulsed laser heating. The measurement capacity of these techniques have been fully assessed and verified by measuring micro/nanoscale materials. All these techniques do not need the data of laser absorption and absolute material temperature rise, yet still be able to measure the thermal conductivity and thermal diffusivity with unprecedented accuracy. It is expected they will have broad applications for in-pile thermal characterization of nuclear materials based on pure optical heating and sensing.« less

  8. An open-source platform to study uniaxial stress effects on nanoscale devices

    NASA Astrophysics Data System (ADS)

    Signorello, G.; Schraff, M.; Zellekens, P.; Drechsler, U.; Bürge, M.; Steinauer, H. R.; Heller, R.; Tschudy, M.; Riel, H.

    2017-05-01

    We present an automatic measurement platform that enables the characterization of nanodevices by electrical transport and optical spectroscopy as a function of the uniaxial stress. We provide insights into and detailed descriptions of the mechanical device, the substrate design and fabrication, and the instrument control software, which is provided under open-source license. The capability of the platform is demonstrated by characterizing the piezo-resistance of an InAs nanowire device using a combination of electrical transport and Raman spectroscopy. The advantages of this measurement platform are highlighted by comparison with state-of-the-art piezo-resistance measurements in InAs nanowires. We envision that the systematic application of this methodology will provide new insights into the physics of nanoscale devices and novel materials for electronics, and thus contribute to the assessment of the potential of strain as a technology booster for nanoscale electronics.

  9. Exploring the influence of texture and composition on the thermal transport properties of mudstones

    NASA Astrophysics Data System (ADS)

    Kenderes, S. M.; Hofmeister, A. M.; Merriman, J. D.; Whittington, A. G.

    2017-12-01

    The thermal history of sedimentary basins depends strongly on the thermal transport properties of the rocks within the basin. Mudstones are compositionally diverse, varying both chemically and with modal mineralogy, which are known to affect the thermal transport properties of earth materials. To explore the influence of composition and texture on the thermal transport properties of mudstones, we have measured the thermal diffusivity (D) and isobaric heat capacity (CP) of 12 mudstones using the contact-free laser flash analysis (LFA) and differential scanning calorimetry (DSC). At 20°C, D values of the shales range from 0.318 to 1.214 mm2·s-1 and CP values range from 799 to 918 J·kg-1·°C-1 and at 300°C, D values range from 0.227 to 0.582 mm2·s-1 and CP values range from 1095 to 1344 J·kg-1·°C-1. The mudstones with the highest D values, and lowest CP values are green micaceous or calcareous siltstones respectively, whereas the mudstones with the lowest D values, and highest CP values are black, claystones with 9% organic carbon. This suggests that organic carbon content and, to a lesser extent, the grainsize influence the thermal transport properties of these rocks. The lower D values and higher CP values cause organic rich claystones to absorb and transmit heat differently than other types of mudstones. This is especially true at lower temperatures, where the difference in D values is much greater than at higher temperatures. Additionally, when compared to other sedimentary rocks, shales generally have lower D values and higher CP values. These results also highlight the necessity of using rock type specific values in heat transport numerical models.

  10. Thermal transport and thermoelectric properties of beta-graphyne nanostructures.

    PubMed

    Ouyang, Tao; Hu, Ming

    2014-06-20

    Graphyne, an allotrope of graphene, is currently a hot topic in the carbon-based nanomaterials research community. Taking beta-graphyne as an example, we performed a comprehensive study of thermal transport and related thermoelectric properties by means of nonequilibrium Green's function (NEGF). Our simulation demonstrated that thermal conductance of beta-graphyne is only approximately 26% of that of the graphene counterpart and also shows evident anisotropy. Meanwhile, thermal conductance of armchair beta-graphyne nanoribbons (A-BGYNRs) presents abnormal stepwise width dependence. As for the thermoelectric property, we found that zigzag beta-graphyne nanoribbons (Z-BGYNRs) possess superior thermoelectric performance with figure of merit value achieving 0.5 at room temperature, as compared with graphene nanoribbons (~0.05). Aiming at obtaining a better thermoelectric coefficient, we also investigated Z-BGYNRs with geometric modulations. The results show that the thermoelectric performance can be enhanced dramatically (figure of merit exceeding 1.5 at room temperature), and such enhancement strongly depends on the width of the nanoribbons and location and quantity of geometric modulation. Our findings shed light on transport properties of beta-graphyne as high efficiency thermoelectrics. We anticipate that our simulation results could offer useful guidance for the design and fabrication of future thermoelectric devices.

  11. Surface-restrained growth of vertically aligned carbon nanotube arrays with excellent thermal transport performance.

    PubMed

    Ping, Linquan; Hou, Peng-Xiang; Liu, Chang; Li, Jincheng; Zhao, Yang; Zhang, Feng; Ma, Chaoqun; Tai, Kaiping; Cong, Hongtao; Cheng, Hui-Ming

    2017-06-22

    A vertically aligned carbon nanotube (VACNT) array is a promising candidate for a high-performance thermal interface material in high-power microprocessors due to its excellent thermal transport property. However, its rough and entangled free tips always cause poor interfacial contact, which results in serious contact resistance dominating the total thermal resistance. Here, we employed a thin carbon cover to restrain the disorderly growth of the free tips of a VACNT array. As a result, all the free tips are seamlessly connected by this thin carbon cover and the top surface of the array is smoothed. This unique structure guarantees the participation of all the carbon nanotubes in the array in the heat transport. Consequently the VACNT array grown on a Cu substrate shows a record low thermal resistance of 0.8 mm 2 K W -1 including the two-sided contact resistances, which is 4 times lower than the best result previously reported. Remarkably, the VACNT array can be easily peeled away from the Cu substrate and act as a thermal pad with excellent flexibility, adhesive ability and heat transport capability. As a result the CNT array with a thin carbon cover shows great potential for use as a high-performance flexible thermal interface material.

  12. Solid state thermal rectifier

    DOEpatents

    None

    2016-07-05

    Thermal rectifiers using linear nanostructures as core thermal conductors have been fabricated. A high mass density material is added preferentially to one end of the nanostructures to produce an axially non-uniform mass distribution. The resulting nanoscale system conducts heat asymmetrically with greatest heat flow in the direction of decreasing mass density. Thermal rectification has been demonstrated for linear nanostructures that are electrical insulators, such as boron nitride nanotubes, and for nanostructures that are conductive, such as carbon nanotubes.

  13. Current transport in graphene/AlGaN/GaN vertical heterostructures probed at nanoscale.

    PubMed

    Fisichella, Gabriele; Greco, Giuseppe; Roccaforte, Fabrizio; Giannazzo, Filippo

    2014-08-07

    Vertical heterostructures combining two or more graphene (Gr) layers separated by ultra-thin insulating or semiconductor barriers represent very promising systems for next generation electronics devices, due to the combination of high speed operation with wide-range current modulation by a gate bias. They are based on the specific mechanisms of current transport between two-dimensional-electron-gases (2DEGs) in close proximity. In this context, vertical devices formed by Gr and semiconductor heterostructures hosting an "ordinary" 2DEG can be also very interesting. In this work, we investigated the vertical current transport in Gr/Al(0.25)Ga(0.75)N/GaN heterostructures, where Gr is separated from a high density 2DEG by a ∼ 24 nm thick AlGaN barrier layer. The current transport from Gr to the buried 2DEG was characterized at nanoscale using conductive atomic force microscopy (CAFM) and scanning capacitance microscopy (SCM). From these analyses, performed both on Gr/AlGaN/GaN and on AlGaN/GaN reference samples using AFM tips with different metal coatings, the Gr/AlGaN Schottky barrier height ΦB and its lateral uniformity were evaluated, as well as the variation of the carrier densities of graphene (ngr) and AlGaN/GaN 2DEG (ns) as a function of the applied bias. A low Schottky barrier (∼ 0.40 eV) with excellent spatial uniformity was found at the Gr/AlGaN interface, i.e., lower compared to the measured values for metal/AlGaN contacts, which range from ∼ 0.6 to ∼ 1.1 eV depending on the metal workfunction. The electrical behavior of the Gr/AlGaN contact has been explained by Gr interaction with AlGaN donor-like surface states located in close proximity, which are also responsible of high n-type Gr doping (∼ 1.3 × 10(13) cm(-2)). An effective modulation of ns by the Gr Schottky contact was demonstrated by capacitance analysis under reverse bias. From this basic understanding of transport properties in Gr/AlGaN/GaN heterostructures, novel vertical field effect

  14. Coarse-grained model of nanoscale segregation, water diffusion, and proton transport in Nafion membranes

    NASA Astrophysics Data System (ADS)

    Vishnyakov, Aleksey; Mao, Runfang; Lee, Ming-Tsung; Neimark, Alexander V.

    2018-01-01

    We present a coarse-grained model of the acid form of Nafion membrane that explicitly includes proton transport. This model is based on a soft-core bead representation of the polymer implemented into the dissipative particle dynamics (DPD) simulation framework. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with water beads. Morse bond formation and breakup artificially mimics the Grotthuss hopping mechanism of proton transport. The proposed DPD model is parameterized to account for the specifics of the conformations and flexibility of the Nafion backbone and sidechains; it treats electrostatic interactions in the smeared charge approximation. The simulation results qualitatively, and in many respects quantitatively, predict the specifics of nanoscale segregation in the hydrated Nafion membrane into hydrophobic and hydrophilic subphases, water diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from a collection of isolated water clusters to a 3D network of pores filled with water embedded in the hydrophobic matrix. The segregated morphology is characterized in terms of the pore size distribution with the average size growing with hydration from ˜1 to ˜4 nm. Comparison of the predicted water diffusivity with the experimental data taken from different sources shows good agreement at high and moderate hydration and substantial deviation at low hydration, around and below the percolation threshold. This discrepancy is attributed to the dynamic percolation effects of formation and rupture of merging bridges between the water clusters, which become progressively important at low hydration, when the coarse-grained model is unable to mimic the fine structure of water network that includes singe molecule bridges. Selected simulations of water diffusion are performed for the alkali metal substituted membrane which demonstrate the effects of the counter-ions on

  15. Visualization of exciton transport in ordered and disordered molecular solids.

    PubMed

    Akselrod, Gleb M; Deotare, Parag B; Thompson, Nicholas J; Lee, Jiye; Tisdale, William A; Baldo, Marc A; Menon, Vinod M; Bulović, Vladimir

    2014-04-16

    Transport of nanoscale energy in the form of excitons is at the core of photosynthesis and the operation of a wide range of nanostructured optoelectronic devices such as solar cells, light-emitting diodes and excitonic transistors. Of particular importance is the relationship between exciton transport and nanoscale disorder, the defining characteristic of molecular and nanostructured materials. Here we report a spatial, temporal and spectral visualization of exciton transport in molecular crystals and disordered thin films. Using tetracene as an archetype molecular crystal, the imaging reveals that exciton transport occurs by random walk diffusion, with a transition to subdiffusion as excitons become trapped. By controlling the morphology of the thin film, we show that this transition to subdiffusive transport occurs at earlier times as disorder is increased. Our findings demonstrate that the mechanism of exciton transport depends strongly on the nanoscale morphology, which has wide implications for the design of excitonic materials and devices.

  16. Effect of anisotropic thermal transport on the resistive plasma response to resonant magnetic perturbation field

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bai, Xue; Liu, Yueqiang; Gao, Zhe

    Plasma response to the resonant magnetic perturbation (RMP) field is numerically investigated by an extended toroidal fluid model, which includes anisotropic thermal transport physics parallel and perpendicular to the total magnetic field. The thermal transport is found to be effective in eliminating the toroidal average curvature induced plasma screening (the so called Glasser-Green-Johnson, GGJ screening) at slow toroidal flow regime, whilst having minor effect on modifying the conventional plasma screening regimes at faster flow. Furthermore, this physics effect of interaction between thermal transport and GGJ screening is attributed to the modification of the radial structure of the shielding current, resultedmore » from the plasma response to the applied field. The modification of the plasma response (shielding current, response field, plasma displacement and the perturbed velocity) also has direct consequence on the toroidal torques produced by RMP. These modelling results show that thermal transport reduces the resonant electromagnetic torque as well as the torque associated with the Reynolds stress, but enhances the neoclassical toroidal viscous torque at slow plasma flow.« less

  17. Effect of anisotropic thermal transport on the resistive plasma response to resonant magnetic perturbation field

    DOE PAGES

    Bai, Xue; Liu, Yueqiang; Gao, Zhe

    2017-09-21

    Plasma response to the resonant magnetic perturbation (RMP) field is numerically investigated by an extended toroidal fluid model, which includes anisotropic thermal transport physics parallel and perpendicular to the total magnetic field. The thermal transport is found to be effective in eliminating the toroidal average curvature induced plasma screening (the so called Glasser-Green-Johnson, GGJ screening) at slow toroidal flow regime, whilst having minor effect on modifying the conventional plasma screening regimes at faster flow. Furthermore, this physics effect of interaction between thermal transport and GGJ screening is attributed to the modification of the radial structure of the shielding current, resultedmore » from the plasma response to the applied field. The modification of the plasma response (shielding current, response field, plasma displacement and the perturbed velocity) also has direct consequence on the toroidal torques produced by RMP. These modelling results show that thermal transport reduces the resonant electromagnetic torque as well as the torque associated with the Reynolds stress, but enhances the neoclassical toroidal viscous torque at slow plasma flow.« less

  18. Effect of anisotropic thermal transport on the resistive plasma response to resonant magnetic perturbation field

    NASA Astrophysics Data System (ADS)

    Bai, Xue; Liu, Yueqiang; Gao, Zhe

    2017-10-01

    Plasma response to the resonant magnetic perturbation (RMP) field is numerically investigated by an extended toroidal fluid model, which includes anisotropic thermal transport physics parallel and perpendicular to the total magnetic field. The thermal transport is found to be effective in eliminating the toroidal average curvature induced plasma screening (the so called Glasser-Green-Johnson, GGJ screening) in a slow toroidal flow regime, whilst having minor effect on modifying the conventional plasma screening regimes at faster flow. This physics effect of interaction between thermal transport and GGJ screening is attributed to the modification of the radial structure of the shielding current, which resulted from the plasma response to the applied field. The modification of the plasma response (shielding current, response field, plasma displacement, and the perturbed velocity) also has direct consequence on the toroidal torques produced by RMP. Modelling results show that thermal transport reduces the resonant electromagnetic torque as well as the torque associated with the Reynolds stress, but enhances the neoclassical toroidal viscous torque at slow plasma flow.

  19. Thermal transport and thermopower of bcc U-Mo splat-cooled alloys

    NASA Astrophysics Data System (ADS)

    Falkowski, M.; Buturlim, V.; Paukov, M.; Havela, L.

    2018-05-01

    In order to characterize the electron and thermal transport properties in splat-cooled U-T alloys (T is transition metal), we measured the thermopower S and thermal conductivity κ of selected splat-cooled U-Mo alloys with 0, 11, 12.5, 15 and 17 at % Mo concentrations, as a function of temperature. Additionally, we compare our data with the results of S(T) and κ(T) for pure α-U bulk material. Moreover, what particularly motivated us for undertaking above mentioned investigation was the opportunity for prove the functionality of the TTO (Thermal Transport Option) insert of PPMS apparatus for such form of samples. Working with rapidly solidified materials in the form of splats, i.e. foils of typical thickness ∼ 0.2 mm, or even less, we need to test first whether the TTO output can be taken as reliable for the sample geometry, being far from typical bulk bar-shaped samples.

  20. Effects of functional group mass variance on vibrational properties and thermal transport in graphene

    DOE PAGES

    Lindsay, L.; Kuang, Y.

    2017-03-13

    Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. We present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first principles calculations. We also use graphane, a buckled graphene backbone with covalently bonded Hydrogen atoms on both sides, as the base material and vary the mass of the Hydrogen atoms to simulate the effect of mass variance from other functional groups. We find non-monotonic behavior of κ with increasing mass of the functional group and an unusual cross-over from acoustic-dominated tomore » optic-dominated thermal transport behavior. We connect this cross-over to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection symmetry based scattering selection rule responsible for their large contributions in graphene. Our work demonstrates the potential for manipulation and engineering of thermal transport properties in two dimensional materials toward targeted applications.« less

  1. Effects of functional group mass variance on vibrational properties and thermal transport in graphene

    NASA Astrophysics Data System (ADS)

    Lindsay, L.; Kuang, Y.

    2017-03-01

    Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. Here we present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first-principles calculations. We use graphane, a buckled graphene backbone with covalently bonded hydrogen atoms on both sides, as the base material and vary the mass of the hydrogen atoms to simulate the effect of mass variance from other functional groups. We find nonmonotonic behavior of κ with increasing mass of the functional group and an unusual crossover from acoustic-dominated to optic-dominated thermal transport behavior. We connect this crossover to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection-symmetry-based scattering selection rule responsible for their large contributions in graphene. This work demonstrates the potential for manipulation and engineering of thermal transport properties in two-dimensional materials toward targeted applications.

  2. Effects of functional group mass variance on vibrational properties and thermal transport in graphene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lindsay, L.; Kuang, Y.

    Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. We present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first principles calculations. We also use graphane, a buckled graphene backbone with covalently bonded Hydrogen atoms on both sides, as the base material and vary the mass of the Hydrogen atoms to simulate the effect of mass variance from other functional groups. We find non-monotonic behavior of κ with increasing mass of the functional group and an unusual cross-over from acoustic-dominated tomore » optic-dominated thermal transport behavior. We connect this cross-over to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection symmetry based scattering selection rule responsible for their large contributions in graphene. Our work demonstrates the potential for manipulation and engineering of thermal transport properties in two dimensional materials toward targeted applications.« less

  3. Mapping nanoscale effects of localized noise-source activities on photoconductive charge transports in polymer-blend films.

    PubMed

    Shekhar, Shashank; Cho, Duckhyung; Cho, Dong-Guk; Yang, Myungjae; Hong, Seunghun

    2018-05-18

    We develolped a method to directly image the nanoscale effects of localized noise-source activities on photoconducting charge transports in domain structures of phase-separated polymer-blend films of Poly(9,9-di-n-octylfluorenyl-2,7-diyl) and Poly(9,9-di-n-octylfluorene-alt-benzothiadiazole). For the imaging, current and noise maps of the polymer-blend were recorded using a conducting nanoprobe in contact with the surface, enabling the conductivity (σ) and noise-source density (N T ) mappings under an external stimulus. The blend-films exhibited the phase-separation between the constituent polymers at domains level. Within a domain, high σ (low N T ) and low σ (high N T ) regions were observed, which could be associated with the ordered and disordered regions of a domain. In the N T maps, we observed that noise-sources strongly affected the conduction mechanism, resulting in a scaling behavior of σ ∝ [Formula: see text] in both ordered and disordered regions. When a blend film was under an influence of an external stimulus such as a high bias or an illumination, an increase in the σ was observed, but that also resulted in increases in the N T as a trade-off. Interestingly, the Δσ versus ΔN T plot exhibited an unusual scaling behavior of Δσ ∝ [Formula: see text] which is attributed to the de-trapping of carriers from deep traps by the external stimuli. In addition, we found that an external stimulus increased the conductivity at the interfaces without significantly increasing their N T , which can be the origin of the superior performances of polymer-blend based devices. These results provide valuable insight about the effects of noise-sources on nanoscale optoelectronic properties in polymer-blend films, which can be an important guideline for improving devices based on polymer-blend.

  4. Mapping nanoscale effects of localized noise-source activities on photoconductive charge transports in polymer-blend films

    NASA Astrophysics Data System (ADS)

    Shekhar, Shashank; Cho, Duckhyung; Cho, Dong-Guk; Yang, Myungjae; Hong, Seunghun

    2018-05-01

    We develolped a method to directly image the nanoscale effects of localized noise-source activities on photoconducting charge transports in domain structures of phase-separated polymer-blend films of Poly(9,9-di-n-octylfluorenyl-2,7-diyl) and Poly(9,9-di-n-octylfluorene-alt-benzothiadiazole). For the imaging, current and noise maps of the polymer-blend were recorded using a conducting nanoprobe in contact with the surface, enabling the conductivity (σ) and noise-source density (N T) mappings under an external stimulus. The blend-films exhibited the phase-separation between the constituent polymers at domains level. Within a domain, high σ (low N T) and low σ (high N T) regions were observed, which could be associated with the ordered and disordered regions of a domain. In the N T maps, we observed that noise-sources strongly affected the conduction mechanism, resulting in a scaling behavior of σ ∝ {{N}{{T}}}-0.5 in both ordered and disordered regions. When a blend film was under an influence of an external stimulus such as a high bias or an illumination, an increase in the σ was observed, but that also resulted in increases in the N T as a trade-off. Interestingly, the Δσ versus ΔN T plot exhibited an unusual scaling behavior of Δσ ∝ {{Δ }}{{N}{{T}}}0.5, which is attributed to the de-trapping of carriers from deep traps by the external stimuli. In addition, we found that an external stimulus increased the conductivity at the interfaces without significantly increasing their N T, which can be the origin of the superior performances of polymer-blend based devices. These results provide valuable insight about the effects of noise-sources on nanoscale optoelectronic properties in polymer-blend films, which can be an important guideline for improving devices based on polymer-blend.

  5. Nonequilibrium Green's function method for quantum thermal transport

    NASA Astrophysics Data System (ADS)

    Wang, Jian-Sheng; Agarwalla, Bijay Kumar; Li, Huanan; Thingna, Juzar

    2014-12-01

    This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the subject, deriving some of the well-known results such as the Laudauer-like formula for heat current in ballistic systems. The main aim of the review is to build the machinery of the method so that it can be applied to other situations, which are not directly treated here. In addition to the above, we consider a number of applications of NEGF, not in routine model system calculations, but in a few new aspects showing the power and usefulness of the formalism. In particular, we discuss the problems of multiple leads, coupled left-right-lead system, and system without a center. We also apply the method to the problem of full counting statistics. In the case of nonlinear systems, we make general comments on the thermal expansion effect, phonon relaxation time, and a certain class of mean-field approximations. Lastly, we examine the relationship between NEGF, reduced density matrix, and master equation approaches to thermal transport.

  6. Transport of carboxymethyl cellulose stabilized nanoscale zerovalent iron in porous media, an experimental and modeling study

    NASA Astrophysics Data System (ADS)

    Sleep, Brent; Mondal, Pulin; Furbacher, Paul; Cui, Ziteng; Krol, Magdalena

    2015-04-01

    Nano-scale zero valent iron (nZVI) is capable of reacting with a wide variety of groundwater contaminants. Therefore, during the last decade nZVI has received significant attention for application in subsurface remediation, particularly for sites contaminated with chlorinated compounds and heavy metals. However, due to agglomeration of the nZVI, delivery into the contaminated subsurface zones is challenging. Polymer stabilization of nZVI can enhance the mobility of the iron particles in the subsurface. In this study, a set of laboratory-scale transport experiments and numerical simulations were performed to evaluate carboxymethyl cellulose (CMC) polymer stabilized nZVI transport in porous media. Experiments were conducted in a two-dimensional water-saturated lab-scale glass-walled sandbox, uniformly packed with silica sand, to identify the effects of water specific discharge and CMC concentration on nZVI transport. Experiments were also performed using Lissamine Green B (LGB) dye as a non-reactive tracer to characterize the sand media. The CMC stabilized nZVI was synthesized freshly at a concentration of 1000 mg/L before each transport experiment. The synthesized CMC-nZVI mixture was characterized using transmission electron microscopy, dynamic light scattering, and UV-visual spectrophotometry. The movement of the LGB dye and nZVI in the sandbox during the experiments was monitored using time-lapsed images captured using a light source and a dark box. The transport of LGB, CMC, and CMC-nZVI was evaluated through analysis of the breakthrough curves at the outlet and the retained nZVI in the sandbox. The LGB, CMC, and nZVI transport was also modeled using a multiphase flow and transport model considering LGB and CMC as solutes, and nZVI as a colloid. Analysis of the breakthrough data showed that the mass recovery of LGB and CMC was greater than 95 % indicating conservative transport in silica sand. However, the mean residence time of CMC was significantly higher than

  7. Highly repeatable nanoscale phase coexistence in vanadium dioxide films

    NASA Astrophysics Data System (ADS)

    Huffman, T. J.; Lahneman, D. J.; Wang, S. L.; Slusar, T.; Kim, Bong-Jun; Kim, Hyun-Tak; Qazilbash, M. M.

    2018-02-01

    It is generally believed that in first-order phase transitions in materials with imperfections, the formation of phase domains must be affected to some extent by stochastic (probabilistic) processes. The stochasticity would lead to unreliable performance in nanoscale devices that have the potential to exploit the transformation of physical properties in a phase transition. Here we show that stochasticity at nanometer length scales is completely suppressed in the thermally driven metal-insulator transition (MIT) in sputtered vanadium dioxide (V O2 ) films. The nucleation and growth of domain patterns of metallic and insulating phases occur in a strikingly reproducible way. The completely deterministic nature of domain formation and growth in films with imperfections is a fundamental and unexpected finding about the kinetics of this material. Moreover, it opens the door for realizing reliable nanoscale devices based on the MIT in V O2 and similar phase-change materials.

  8. Substrate thermal conductivity controls the ability to manufacture microstructures via laser-induced direct write

    DOE PAGES

    Tomko, John A.; Olson, David H.; Braun, Jeffrey L.; ...

    2018-01-30

    In controlling the thermal properties of the surrounding environment, we provide insight into the underlying mechanisms driving the widely used laser direct write method for additive manufacturing. In this study, we find that the onset of silver nitrate reduction for the formation of direct write structures directly corresponds to the calculated steady-state temperature rises associated with both continuous wave and high-repetition rate, ultrafast pulsed laser systems. Furthermore, varying the geometry of the heat affected zone, which is controllable based on in-plane thermal diffusion in the substrate, and laser power, allows for control of the written geometries without any prior substratemore » preparation. In conclusion, these findings allow for the advance of rapid manufacturing of micro- and nanoscale structures with minimal material constraints through consideration of the laser-controllable thermal transport in ionic liquid/substrate media.« less

  9. Substrate thermal conductivity controls the ability to manufacture microstructures via laser-induced direct write

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tomko, John A.; Olson, David H.; Braun, Jeffrey L.

    In controlling the thermal properties of the surrounding environment, we provide insight into the underlying mechanisms driving the widely used laser direct write method for additive manufacturing. In this study, we find that the onset of silver nitrate reduction for the formation of direct write structures directly corresponds to the calculated steady-state temperature rises associated with both continuous wave and high-repetition rate, ultrafast pulsed laser systems. Furthermore, varying the geometry of the heat affected zone, which is controllable based on in-plane thermal diffusion in the substrate, and laser power, allows for control of the written geometries without any prior substratemore » preparation. In conclusion, these findings allow for the advance of rapid manufacturing of micro- and nanoscale structures with minimal material constraints through consideration of the laser-controllable thermal transport in ionic liquid/substrate media.« less

  10. Diverse anisotropy of phonon transport in two-dimensional group IV-VI compounds: A comparative study

    NASA Astrophysics Data System (ADS)

    Qin, Guangzhao; Qin, Zhenzhen; Fang, Wu-Zhang; Zhang, Li-Chuan; Yue, Sheng-Ying; Yan, Qing-Bo; Hu, Ming; Su, Gang

    2016-05-01

    New classes of two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport is a fundamental physical parameter. In this paper, we systematically investigated the phonon transport properties of the 2D orthorhombic group IV-VI compounds of GeS, GeSe, SnS and SnSe by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite their similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as phonon group velocity, Young's modulus and lattice thermal conductivity (κ), etc. Especially, the κ along the zigzag and armchair directions of monolayer GeS shows the strongest anisotropy while monolayer SnS and SnSe show almost isotropy in phonon transport. The origin of the diverse anisotropy is fully studied and the underlying mechanism is discussed in details. With limited size, the κ could be effectively lowered, and the anisotropy could be effectively modulated by nanostructuring, which would extend the applications to nanoscale thermoelectrics and thermal management. Our study offers fundamental understanding of the anisotropic phonon transport properties of 2D materials, and would be of significance for further study, modulation and applications in emerging technologies.

  11. Metal matrix-metal nanoparticle composites with tunable melting temperature and high thermal conductivity for phase-change thermal storage.

    PubMed

    Liu, Minglu; Ma, Yuanyu; Wu, Hsinwei; Wang, Robert Y

    2015-02-24

    Phase-change materials (PCMs) are of broad interest for thermal storage and management applications. For energy-dense storage with fast thermal charging/discharging rates, a PCM should have a suitable melting temperature, large enthalpy of fusion, and high thermal conductivity. To simultaneously accomplish these traits, we custom design nanocomposites consisting of phase-change Bi nanoparticles embedded in an Ag matrix. We precisely control nanoparticle size, shape, and volume fraction in the composite by separating the nanoparticle synthesis and nanocomposite formation steps. We demonstrate a 50-100% thermal energy density improvement relative to common organic PCMs with equivalent volume fraction. We also tune the melting temperature from 236-252 °C by varying nanoparticle diameter from 8.1-14.9 nm. Importantly, the silver matrix successfully prevents nanoparticle coalescence, and no melting changes are observed during 100 melt-freeze cycles. The nanocomposite's Ag matrix also leads to very high thermal conductivities. For example, the thermal conductivity of a composite with a 10% volume fraction of 13 nm Bi nanoparticles is 128 ± 23 W/m-K, which is several orders of magnitude higher than typical thermal storage materials. We complement these measurements with calculations using a modified effective medium approximation for nanoscale thermal transport. These calculations predict that the thermal conductivity of composites with 13 nm Bi nanoparticles varies from 142 to 47 W/m-K as the nanoparticle volume fraction changes from 10 to 35%. Larger nanoparticle diameters and/or smaller nanoparticle volume fractions lead to larger thermal conductivities.

  12. Thermally driven spin-Seebeck transport in chiral dsDNA-based molecular devices

    NASA Astrophysics Data System (ADS)

    Nian, L. L.; Zhang, Rong; Tang, F. R.; Tang, Jun; Bai, Long

    2018-03-01

    By employing the nonequilibrium Green's function technique, we study the thermal-induced spin-Seebeck transport through a chiral double-stranded DNA (dsDNA) connected to a normal-metal and a ferromagnetic lead. How the main parameters of the dsDNA-based system influence the spin-Seebeck transport is analyzed at length, and the thermally created charge (spin-related) current displays the rectification effect and the negative differential thermal conductance feature. More importantly, the spin current exhibits the rectification behavior of the spin-Seebeck effect; even the perfect spin-Seebeck effect can be obtained with the null charge current. Thus, the chiral dsDNA-based system can act as a spin(charge)-Seebeck diode, spin(charge)-Seebeck switch, and spin(charge)-Seebeck transistor. Our results provide new ways to design spin caloritronic devices based on dsDNA or other organic molecules.

  13. Determination of the linear coefficient of thermal expansion in polymer films at the nanoscale: influence of the composition of EVA copolymers and the molecular weight of PMMA.

    PubMed

    González-Benito, J; Castillo, E; Cruz-Caldito, J F

    2015-07-28

    Nanothermal-expansion of poly(ethylene-co-vinylacetate), EVA, and poly(methyl methacrylate), PMMA, in the form of films was measured to finally obtain linear coefficients of thermal expansion, CTEs. The simple deflection of a cantilever in an atomic force microscope, AFM, was used to monitor thermal expansions at the nanoscale. The influences of: (a) the structure of EVA in terms of its composition (vinylacetate content) and (b) the size of PMMA chains in terms of the molecular weight were studied. To carry out this, several polymer samples were used, EVA copolymers with different weight percents of the vinylacetate comonomer (12, 18, 25 and 40%) and PMMA polymers with different weight average molecular weights (33.9, 64.8, 75.600 and 360.0 kg mol(-1)). The dependencies of the vinyl acetate weight fraction of EVA and the molecular weight of PMMA on their corresponding CTEs were analyzed to finally explain them using new, intuitive and very simple models based on the rule of mixtures. In the case of EVA copolymers a simple equation considering the weighted contributions of each comonomer was enough to estimate the final CTE above the glass transition temperature. On the other hand, when the molecular weight dependence is considered the free volume concept was used as novelty. The expansion of PMMA, at least at the nanoscale, was well and easily described by the sum of the weighted contributions of the occupied and free volumes, respectively.

  14. Photothermoelastic contrast in nanoscale infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Morozovska, Anna N.; Eliseev, Eugene A.; Borodinov, Nikolay; Ovchinnikova, Olga S.; Morozovsky, Nicholas V.; Kalinin, Sergei V.

    2018-01-01

    The contrast formation mechanism in nanoscale Infrared (IR) Spectroscopy is analyzed. The temperature distribution and elastic displacement across the illuminated T-shape boundary between two materials with different IR-radiation absorption coefficients and thermo-physical and elastic properties located on a rigid substrate are calculated self-consistently for different frequencies f ˜ (1 kHz-1 MHz) of IR-radiation modulation (fully coupled problem). Analytical expressions for the temperature and displacement profiles across the "thermo-elastic step" are derived in the decoupling approximation for f = 0 ("static limit"), and conditions for approximation validity at low frequencies of IR-modulation are established. The step height was found to be thickness-independent for thick layers and proportional to the square of the thickness for very thin films. The theoretical results will be of potential interest for applications in the scanning thermo-ionic and thermal infrared microscopies for relatively long sample thermalization times and possibly for photothermal induced resonance microscopy using optomechanical probes.

  15. Electrical and Thermal Transport Property Studies of High-Temperature Thermoelectric Materials.

    DTIC Science & Technology

    1985-06-01

    THERMAL TRANSPORT PROPERTY STUDIES OF HIGH-TEMPERATURE THERMOELECTRIC MATERIALS: INTERIM TECHNICAL REPORT FOR THE PERIOD MAY 15, 1984 TO MAY 15, 1985 J. L...transport property data base has been expanded oy continued measurements in several systems under study, and a theoretical model for thermoelectric ...6.0 REFERENCES . . . . . . . . . . . . 6.1 APPENDIX A - THERMOELECTRIC PROPERTY DATA . . . . . . . A. I 1l FIGURES 3.1 Dimensionless Figure of Merit

  16. Atomistic methodologies for material properties of 2D materials at the nanoscale

    NASA Astrophysics Data System (ADS)

    Zhang, Zhen

    Research on two dimensional (2D) materials, such as graphene and MoS2, now involves thousands of researchers worldwide cutting across physics, chemistry, engineering and biology. Due to the extraordinary properties of 2D materials, research extends from fundamental science to novel applications of 2D materials. From an engineering point of view, understanding the material properties of 2D materials under various conditions is crucial for tailoring the electrical and mechanical properties of 2D-material-based devices at the nanoscale. Even at the nanoscale, molecular systems typically consist of a vast number of atoms. Molecular dynamics (MD) simulations enable us to understand the properties of assemblies of molecules in terms of their structure and the microscopic interactions between them. From a continuum approach, mechanical properties and thermal properties, such as strain, stress, and heat capacity, are well defined and experimentally measurable. In MD simulations, material systems are considered to be discrete, and only interatomic potential, interatomic forces, and atom positions are directly obtainable. Besides, most of the fracture mechanics concepts, such as stress intensity factors, are not applicable since there is no singularity in MD simulations. However, energy release rate still remains to be a feasible and crucial physical quantity to characterize the fracture mechanical property of materials at the nanoscale. Therefore, equivalent definition of a physical quantity both in atomic scale and macroscopic scale is necessary in order to understand molecular and continuum scale phenomena concurrently. This work introduces atomistic simulation methodologies, based on interatomic potential and interatomic forces, as a tool to unveil the mechanical properties, thermal properties and fracture mechanical properties of 2D materials at the nanoscale. Among many 2D materials, graphene and MoS2 have attracted intense interest. Therefore, we applied our

  17. Electron transfer across a thermal gradient

    PubMed Central

    Craven, Galen T.

    2016-01-01

    Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for monitoring temperature at high temporal and spatial resolution, imply the need for considering electron transfer across thermal gradients. Here, a theory is developed for the rate of electron transfer and the associated heat transport between donor–acceptor pairs located at sites of different temperatures. To this end, through application of a generalized multidimensional transition state theory, the traditional Arrhenius picture of activation energy as a single point on a free energy surface is replaced with a bithermal property that is derived from statistical weighting over all configurations where the reactant and product states are equienergetic. The flow of energy associated with the electron transfer process is also examined, leading to relations between the rate of heat exchange among the donor and acceptor sites as functions of the temperature difference and the electronic driving bias. In particular, we find that an open electron transfer channel contributes to enhanced heat transport between sites even when they are in electronic equilibrium. The presented results provide a unified theory for charge transport and the associated heat conduction between sites at different temperatures. PMID:27450086

  18. Thermal transport in UO 2 with defects and fission products by molecular dynamics simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Xiang-Yang; Cooper, Michael William Donald; Mcclellan, Kenneth James

    2015-10-14

    The importance of the thermal transport in nuclear fuel has motivated a wide range of experimental and modelling studies. In this report, the reduction of thermal transport in UO 2 due to defects and fission products has been investigated using non-equilibrium MD simulations, with two sets of empirical potentials for studying the degregation of UO 2 thermal conductivity including a Buckingham type interatomic potential and a recently developed EAM type interatomic potential. Additional parameters for U 5+ and Zr 4+ in UO 2 have been developed for the EAM potential. The thermal conductivity results from MD simulations are then correctedmore » for the spin-phonon scattering through Callaway model formulations. To validate the modelling results, comparison was made with experimental measurements on single crystal hyper-stoichiometric UO 2+x samples.« less

  19. Implications of Thermal Diffusity being Inversely Proportional to Temperature Times Thermal Expansivity on Lower Mantle Heat Transport

    NASA Astrophysics Data System (ADS)

    Hofmeister, A.

    2010-12-01

    Many measurements and models of heat transport in lower mantle candidate phases contain systematic errors: (1) conventional methods of insulators involve thermal losses that are pressure (P) and temperature (T) dependent due to physical contact with metal thermocouples, (2) measurements frequently contain unwanted ballistic radiative transfer which hugely increases with T, (3) spectroscopic measurements of dense samples in diamond anvil cells involve strong refraction by which has not been accounted for in analyzing transmission data, (4) the role of grain boundary scattering in impeding heat and light transfer has largely been overlooked, and (5) essentially harmonic physical properties have been used to predict anharmonic behavior. Improving our understanding of the physics of heat transport requires accurate data, especially as a function of temperature, where anharmonicity is the key factor. My laboratory provides thermal diffusivity (D) at T from laser flash analysis, which lacks the above experimental errors. Measuring a plethora of chemical compositions in diverse dense structures (most recently, perovskites, B1, B2, and glasses) as a function of temperature provides a firm basis for understanding microscopic behavior. Given accurate measurements for all quantities: (1) D is inversely proportional to [T x alpha(T)] from ~0 K to melting, where alpha is thermal expansivity, and (2) the damped harmonic oscillator model matches measured D(T), using only two parameters (average infrared dielectric peak width and compressional velocity), both acquired at temperature. These discoveries pertain to the anharmonic aspects of heat transport. I have previously discussed the easily understood quasi-harmonic pressure dependence of D. Universal behavior makes application to the Earth straightforward: due to the stiffness and slow motions of the plates and interior, and present-day, slow planetary cooling rates, Earth can be approximated as being in quasi

  20. Shock wave as a probe of flux-dimited thermal transport in laser-heated solids

    NASA Astrophysics Data System (ADS)

    Smith, K.; Forsman, A.; Chiu, G.

    1996-11-01

    Laser-generated shock waves in solids result from the ablation of the target material. Where radiation transport is negligible, the ablation process is dominated by electron thermal conduction. This offers an opportunity to probe the degree of transport inhibition (compared with classical heat flow) for steep temperature gradients in a dense plasma. Using a 1-dimensional hydrodynamic code, we have examined the effect of flux-limited thermal conduction on the amplitude of the resulting shock wave.

  1. Heat transfer enhancement in a lithium-ion cell through improved material-level thermal transport

    NASA Astrophysics Data System (ADS)

    Vishwakarma, Vivek; Waghela, Chirag; Wei, Zi; Prasher, Ravi; Nagpure, Shrikant C.; Li, Jianlin; Liu, Fuqiang; Daniel, Claus; Jain, Ankur

    2015-12-01

    While Li-ion cells offer excellent electrochemical performance for several applications including electric vehicles, they also exhibit poor thermal transport characteristics, resulting in reduced performance, overheating and thermal runaway. Inadequate heat removal from Li-ion cells originates from poor thermal conductivity within the cell. This paper identifies the rate-limiting material-level process that dominates overall thermal conduction in a Li-ion cell. Results indicate that thermal characteristics of a Li-ion cell are largely dominated by heat transfer across the cathode-separator interface rather than heat transfer through the materials themselves. This interfacial thermal resistance contributes around 88% of total thermal resistance in the cell. Measured value of interfacial resistance is close to that obtained from theoretical models that account for weak adhesion and large acoustic mismatch between cathode and separator. Further, to address this problem, an amine-based chemical bridging of the interface is carried out. This is shown to result in in four-times lower interfacial thermal resistance without deterioration in electrochemical performance, thereby increasing effective thermal conductivity by three-fold. This improvement is expected to reduce peak temperature rise during operation by 60%. By identifying and addressing the material-level root cause of poor thermal transport in Li-ion cells, this work may contributes towards improved thermal performance of Li-ion cells.

  2. Heat transfer enhancement in a lithium-ion cell through improved material-level thermal transport

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vishwakarma, Vivek; Waghela, Chirag; Wei, Zi

    2016-09-25

    We report that while Li-ion cells offer excellent electrochemical performance for several applications including electric vehicles, they also exhibit poor thermal transport characteristics, resulting in reduced performance, overheating and thermal runaway. Inadequate heat removal from Li-ion cells originates from poor thermal conductivity within the cell. This paper identifies the rate-limiting material-level process that dominates overall thermal conduction in a Li-ion cell. Results indicate that thermal characteristics of a Li-ion cell are largely dominated by heat transfer across the cathode-separator interface rather than heat transfer through the materials themselves. This interfacial thermal resistance contributes around 88% of total thermal resistance inmore » the cell. Measured value of interfacial resistance is close to that obtained from theoretical models that account for weak adhesion and large acoustic mismatch between cathode and separator. Further, to address this problem, an amine-based chemical bridging of the interface is carried out. This is shown to result in in four-times lower interfacial thermal resistance without deterioration in electrochemical performance, thereby increasing effective thermal conductivity by three-fold. This improvement is expected to reduce peak temperature rise during operation by 60%. Finally, by identifying and addressing the material-level root cause of poor thermal transport in Li-ion cells, this work may contribute towards improved thermal performance of Li-ion cells.« less

  3. Review of Recent Developments on Using an Off-Lattice Monte Carlo Approach to Predict the Effective Thermal Conductivity of Composite Systems with Complex Structures

    PubMed Central

    Gong, Feng; Duong, Hai M.; Papavassiliou, Dimitrios V.

    2016-01-01

    Here, we present a review of recent developments for an off-lattice Monte Carlo approach used to investigate the thermal transport properties of multiphase composites with complex structure. The thermal energy was quantified by a large number of randomly moving thermal walkers. Different modes of heat conduction were modeled in appropriate ways. The diffusive heat conduction in the polymer matrix was modeled with random Brownian motion of thermal walkers within the polymer, and the ballistic heat transfer within the carbon nanotubes (CNTs) was modeled by assigning infinite speed of thermal walkers in the CNTs. Three case studies were conducted to validate the developed approach, including three-phase single-walled CNTs/tungsten disulfide (WS2)/(poly(ether ether ketone) (PEEK) composites, single-walled CNT/WS2/PEEK composites with the CNTs clustered in bundles, and complex graphene/poly(methyl methacrylate) (PMMA) composites. In all cases, resistance to heat transfer due to nanoscale phenomena was also modeled. By quantitatively studying the influencing factors on the thermal transport properties of the multiphase composites, it was found that the orientation, aggregation and morphology of fillers, as well as the interfacial thermal resistance at filler-matrix interfaces would limit the transfer of heat in the composites. These quantitative findings may be applied in the design and synthesis of multiphase composites with specific thermal transport properties. PMID:28335270

  4. Phonon-defect scattering and thermal transport in semiconductors: developing guiding principles

    NASA Astrophysics Data System (ADS)

    Polanco, Carlos; Lindsay, Lucas

    First principles calculations of thermal conductivity have shown remarkable agreement with measurements for high-quality crystals. Nevertheless, most materials contain defects that provide significant extrinsic resistance and lower the conductivity from that of a perfect sample. This effect is usually accounted for with simplified analytical models that neglect the atomistic details of the defect and the exact dynamical properties of the system, which limits prediction capabilities. Recently, a method based on Greens functions was developed to calculate the phonon-defect scattering rates from first principles. This method has shown the important role of point defects in determining thermal transport in diamond and boron arsenide, two competitors for the highest bulk thermal conductivity. Here, we study the role of point defects on other relatively high thermal conductivity semiconductors, e.g., BN, BeSe, SiC, GaN and Si. We compare their first principles defect-phonon scattering rates and effects on transport properties with those from simplified models and explore common principles that determine these. Efforts will focus on basic vibrational properties that vary from system to system, such as density of states, interatomic force constants and defect deformation. Research supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division.

  5. Coherence properties of blackbody radiation and application to energy harvesting and imaging with nanoscale rectennas

    NASA Astrophysics Data System (ADS)

    Lerner, Peter B.; Cutler, Paul H.; Miskovsky, Nicholas M.

    2015-01-01

    Modern technology allows the fabrication of antennas with a characteristic size comparable to the electromagnetic wavelength in the optical region. This has led to the development of new technologies using nanoscale rectifying antennas (rectennas) for solar energy conversion and sensing of terahertz, infrared, and visible radiation. For example, a rectenna array can collect incident radiation from an emitting source and the resulting conversion efficiency and operating characteristics of the device will depend on the spatial and temporal coherence properties of the absorbed radiation. For solar radiation, the intercepted radiation by a micro- or nanoscale array of devices has a relatively narrow spatial and angular distribution. Using the Van Cittert-Zernike theorem, we show that the coherence length (or radius) of solar radiation on an antenna array is, or can be, tens of times larger than the characteristic wavelength of the solar spectrum, i.e., the thermal wavelength, λT=2πℏc/(kBT), which for T=5000 K is about 3 μm. Such an effect is advantageous, making possible the rectification of solar radiation with nanoscale rectenna arrays, whose size is commensurate with the coherence length. Furthermore, we examine the blackbody radiation emitted from an array of antennas at temperature T, which can be quasicoherent and lead to a modified self-image, analogous to the Talbot-Lau self-imaging process but with thermal rather than monochromatic radiation. The self-emitted thermal radiation may be important as a nondestructive means for quality control of the array.

  6. Thermal diffusivity of diamond nanowires studied by laser assisted atom probe tomography

    NASA Astrophysics Data System (ADS)

    Arnoldi, L.; Spies, M.; Houard, J.; Blum, I.; Etienne, A.; Ismagilov, R.; Obraztsov, A.; Vella, A.

    2018-04-01

    The thermal properties of single-crystal diamond nanowires (NWs) have been calculated from first principles but have never been measured experimentally. Taking advantage of the sharp geometry of samples analyzed in a laser assisted atom probe, this technique is used to measure the thermal diffusivity of a single NW at low temperature (<300 K). The obtained value is in good agreement with the ab-initio calculations and confirms that thermal diffusivity in nanoscale samples is lower than in bulk samples. The results impact the design and integration of diamond NWs and nanoneedles in nanoscale devices for heat dissipation.

  7. Influence of geologic layering on heat transport and storage in an aquifer thermal energy storage system

    NASA Astrophysics Data System (ADS)

    Bridger, D. W.; Allen, D. M.

    2014-01-01

    A modeling study was carried out to evaluate the influence of aquifer heterogeneity, as represented by geologic layering, on heat transport and storage in an aquifer thermal energy storage (ATES) system in Agassiz, British Columbia, Canada. Two 3D heat transport models were developed and calibrated using the flow and heat transport code FEFLOW including: a "non-layered" model domain with homogeneous hydraulic and thermal properties; and, a "layered" model domain with variable hydraulic and thermal properties assigned to discrete geological units to represent aquifer heterogeneity. The base model (non-layered) shows limited sensitivity for the ranges of all thermal and hydraulic properties expected at the site; the model is most sensitive to vertical anisotropy and hydraulic gradient. Simulated and observed temperatures within the wells reflect a combination of screen placement and layering, with inconsistencies largely explained by the lateral continuity of high permeability layers represented in the model. Simulation of heat injection, storage and recovery show preferential transport along high permeability layers, resulting in longitudinal plume distortion, and overall higher short-term storage efficiencies.

  8. Mechanistic Challenges and Advantages of Biosensor Miniaturization into the Nanoscale.

    PubMed

    Soleymani, Leyla; Li, Feng

    2017-04-28

    Over the past few decades, there has been tremendous interest in developing biosensing systems that combine high sensitivity and specificity with rapid sample-to-answer times, portability, low-cost operation, and ease-of-use. Miniaturizing the biosensor dimensions into the nanoscale has been identified as a strategy for addressing the functional requirements of point-of-care and wearable biosensors. However, it is important to consider that decreasing the critical dimensions of biosensing elements impacts the two most important performance metrics of biosensors: limit-of-detection and response time. Miniaturization into the nanoscale enhances signal-to-noise-ratio by increasing the signal density (signal/geometric surface area) and reducing background signals. However, there is a trade-off between the enhanced signal transduction efficiency and the longer time it takes to collect target analytes on sensor surfaces due to the increase in mass transport times. By carefully considering the signal transduction mechanisms and reaction-transport kinetics governing different classes of biosensors, it is possible to develop structure-level and device-level strategies for leveraging miniaturization toward creating biosensors that combine low limit-of-detection with rapid response times.

  9. Nanoscale Controls on CO2-water-rock Interactions in Saline Reservoirs

    NASA Astrophysics Data System (ADS)

    Deyoreo, J.; Depaolo, D. J.

    2009-12-01

    It is becoming increasingly widely recognized that geologic sequestration of CO2, when combined with economical means of capture, may be one of the most effective approaches to reducing net CO2 emissions to the atmosphere over the next century. Injection of CO2 into saline geologic formations involves forcing a buoyant, low-viscosity fluid into a more dense, higher viscosity fluid. The difference in wetting properties of the two fluids, their partial miscibility, the fact that CO2 and H2O form an acid, and the heterogeneity of geologic formations combine to make the flow and transport details fascinating but difficult to fully characterize and predict. A major question is whether the flow of CO2 into subsurface formations, the efficiency of pore space filling, and the trapping efficiency can be not only predicted but controlled over the decades of injection that might be associated with the life of a power plant. The major technological gaps to controlling and ultimately sequestering subsurface CO2 can be traced to far-from-equilibrum processes that originate at the molecular and nanoscale, but are expressed as complex emergent behavior at larger scales. Essential knowledge gaps involve the effects of nanoscale confinement on material properties, flow and chemical reactions, the effects of nanoparticles, mineral surface dynamics, and microbiota on mineral dissolution/precipitation and fluid flow, and the dynamics of fluid-fluid and fluid-mineral interfaces. To address these scientific and technical challenges, the Energy Frontier Research Center recently established, involving collaboration between LBNL, ORNL, MIT, UC Berkeley, UC Davis and LLNL, will attempt to bring new approaches to the study of nanoscale phenomena in fluid-rock systems to bear on the problem of CO2 behavior in saline formations. The stated goal is to use molecular, nanoscale, and pore-network scale approaches to control flow, dissolution, and precipitation in deep subsurface rock formations to

  10. Controlled crystallization and granulation of nano-scale β-Ni(OH) 2 cathode materials for high power Ni-MH batteries

    NASA Astrophysics Data System (ADS)

    He, Xiangming; Li, Jianjun; Cheng, Hongwei; Jiang, Changyin; Wan, Chunrong

    A novel synthesis of controlled crystallization and granulation was attempted to prepare nano-scale β-Ni(OH) 2 cathode materials for high power Ni-MH batteries. Nano-scale β-Ni(OH) 2 and Co(OH) 2 with a diameter of 20 nm were prepared by controlled crystallization, mixed by ball milling, and granulated to form about 5 μm spherical grains by spray drying granulation. Both the addition of nano-scale Co(OH) 2 and granulation significantly enhanced electrochemical performance of nano-scale Ni(OH) 2. The XRD and TEM analysis shown that there were a large amount of defects among the crystal lattice of as-prepared nano-scale Ni(OH) 2, and the DTA-TG analysis shown that it had both lower decomposition temperature and higher decomposition reaction rate, indicating less thermal stability, as compared with conventional micro-scale Ni(OH) 2, and indicating that it had higher electrochemical performance. The granulated grains of nano-scale Ni(OH) 2 mixed with nano-scale Co(OH) 2 at Co/Ni = 1/20 presented the highest specific capacity reaching its theoretical value of 289 mAh g -1 at 1 C, and also exhibited much improved electrochemical performance at high discharge capacity rate up to 10 C. The granulated grains of nano-scale β-Ni(OH) 2 mixed with nano-scale Co(OH) 2 is a promising cathode active material for high power Ni-MH batteries.

  11. Tunable thermal link

    DOEpatents

    Chang, Chih-Wei; Majumdar, Arunava; Zettl, Alexander K.

    2014-07-15

    Disclosed is a device whereby the thermal conductance of a multiwalled nanostructure such as a multiwalled carbon nanotube (MWCNT) can be controllably and reversibly tuned by sliding one or more outer shells with respect to the inner core. As one example, the thermal conductance of an MWCNT dropped to 15% of the original value after extending the length of the MWCNT by 190 nm. The thermal conductivity returned when the tube was contracted. The device may comprise numbers of multiwalled nanotubes or other graphitic layers connected to a heat source and a heat drain and various means for tuning the overall thermal conductance for applications in structure heat management, heat flow in nanoscale or microscale devices and thermal logic devices.

  12. Large scale atomistic approaches to thermal transport and phonon scattering in nanostructured materials

    NASA Astrophysics Data System (ADS)

    Savic, Ivana

    2012-02-01

    Decreasing the thermal conductivity of bulk materials by nanostructuring and dimensionality reduction, or by introducing some amount of disorder represents a promising strategy in the search for efficient thermoelectric materials [1]. For example, considerable improvements of the thermoelectric efficiency in nanowires with surface roughness [2], superlattices [3] and nanocomposites [4] have been attributed to a significantly reduced thermal conductivity. In order to accurately describe thermal transport processes in complex nanostructured materials and directly compare with experiments, the development of theoretical and computational approaches that can account for both anharmonic and disorder effects in large samples is highly desirable. We will first summarize the strengths and weaknesses of the standard atomistic approaches to thermal transport (molecular dynamics [5], Boltzmann transport equation [6] and Green's function approach [7]) . We will then focus on the methods based on the solution of the Boltzmann transport equation, that are computationally too demanding, at present, to treat large scale systems and thus to investigate realistic materials. We will present a Monte Carlo method [8] to solve the Boltzmann transport equation in the relaxation time approximation [9], that enables computation of the thermal conductivity of ordered and disordered systems with a number of atoms up to an order of magnitude larger than feasible with straightforward integration. We will present a comparison between exact and Monte Carlo Boltzmann transport results for small SiGe nanostructures and then use the Monte Carlo method to analyze the thermal properties of realistic SiGe nanostructured materials. This work is done in collaboration with Davide Donadio, Francois Gygi, and Giulia Galli from UC Davis.[4pt] [1] See e.g. A. J. Minnich, M. S. Dresselhaus, Z. F. Ren, and G. Chen, Energy Environ. Sci. 2, 466 (2009).[0pt] [2] A. I. Hochbaum et al, Nature 451, 163 (2008).[0pt

  13. Nanoscale heat transfer and phase transformation surrounding intensely heated nanoparticles

    NASA Astrophysics Data System (ADS)

    Sasikumar, Kiran

    Over the last decade there has been significant ongoing research to use nanoparticles for hyperthermia-based destruction of cancer cells. In this regard, the investigation of highly non-equilibrium thermal systems created by ultrafast laser excitation is a particularly challenging and important aspect of nanoscale heat transfer. It has been observed experimentally that noble metal nanoparticles, illuminated by radiation at the plasmon resonance wavelength, can act as localized heat sources at nanometer-length scales. Achieving biological response by delivering heat via nanoscale heat sources has also been demonstrated. However, an understanding of the thermal transport at these scales and associated phase transformations is lacking. A striking observation made in several laser-heating experiments is that embedded metal nanoparticles heated to extreme temperatures may even melt without an associated boiling of the surrounding fluid. This unusual phase stability is not well understood and designing experiments to understand the physics of this phenomenon is a challenging task. In this thesis, we will resort to molecular dynamics (MD) simulations, which offer a powerful tool to investigate this phenomenon, without assumptions underlying continuum-level model formulations. We present the results from a series of steady state and transient non-equilibrium MD simulations performed on an intensely heated nanoparticle immersed in a model liquid. For small nanoparticles (1-10 nm in diameter) we observe a stable liquid phase near the nanoparticle surface, which can be at a temperature well above the boiling point. Furthermore, we report the existence of a critical nanoparticle size (4 nm in diameter) below which we do not observe formation of vapor even when local fluid temperatures exceed the critical temperature. Instead, we report the existence of a stable fluid region with a density much larger than that of the vapor phase. We explain this stability in terms of the

  14. Renal sympathetic nerve, blood flow, and epithelial transport responses to thermal stress.

    PubMed

    Wilson, Thad E

    2017-05-01

    Thermal stress is a profound sympathetic stress in humans; kidney responses involve altered renal sympathetic nerve activity (RSNA), renal blood flow, and renal epithelial transport. During mild cold stress, RSNA spectral power but not total activity is altered, renal blood flow is maintained or decreased, and epithelial transport is altered consistent with a sympathetic stress coupled with central volume loaded state. Hypothermia decreases RSNA, renal blood flow, and epithelial transport. During mild heat stress, RSNA is increased, renal blood flow is decreased, and epithelial transport is increased consistent with a sympathetic stress coupled with a central volume unloaded state. Hyperthermia extends these directional changes, until heat illness results. Because kidney responses are very difficult to study in humans in vivo, this review describes and qualitatively evaluates an in vivo human skin model of sympathetically regulated epithelial tissue compared to that of the nephron. This model utilizes skin responses to thermal stress, involving 1) increased skin sympathetic nerve activity (SSNA), decreased skin blood flow, and suppressed eccrine epithelial transport during cold stress; and 2) increased SSNA, skin blood flow, and eccrine epithelial transport during heat stress. This model appears to mimic aspects of the renal responses. Investigations of skin responses, which parallel certain renal responses, may aid understanding of epithelial-sympathetic nervous system interactions during cold and heat stress. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Thermal Transport Characteristics of Human Skin Measured In Vivo Using Ultrathin Conformal Arrays of Thermal Sensors and Actuators

    PubMed Central

    Webb, R. Chad; Pielak, Rafal M.; Bastien, Philippe; Ayers, Joshua; Niittynen, Juha; Kurniawan, Jonas; Manco, Megan; Lin, Athena; Cho, Nam Heon; Malyrchuk, Viktor; Balooch, Guive; Rogers, John A.

    2015-01-01

    Measurements of the thermal transport properties of the skin can reveal changes in physical and chemical states of relevance to dermatological health, skin structure and activity, thermoregulation and other aspects of human physiology. Existing methods for in vivo evaluations demand complex systems for laser heating and infrared thermography, or they require rigid, invasive probes; neither can apply to arbitrary regions of the body, offers modes for rapid spatial mapping, or enables continuous monitoring outside of laboratory settings. Here we describe human clinical studies using mechanically soft arrays of thermal actuators and sensors that laminate onto the skin to provide rapid, quantitative in vivo determination of both the thermal conductivity and thermal diffusivity, in a completely non-invasive manner. Comprehensive analysis of measurements on six different body locations of each of twenty-five human subjects reveal systematic variations and directional anisotropies in the characteristics, with correlations to the thicknesses of the epidermis (EP) and stratum corneum (SC) determined by optical coherence tomography, and to the water content assessed by electrical impedance based measurements. Multivariate statistical analysis establishes four distinct locations across the body that exhibit different physical properties: heel, cheek, palm, and wrist/volar forearm/dorsal forearm. The data also demonstrate that thermal transport correlates negatively with SC and EP thickness and positively with water content, with a strength of correlation that varies from region to region, e.g., stronger in the palmar than in the follicular regions. PMID:25658947

  16. Thermal transport characteristics of human skin measured in vivo using ultrathin conformal arrays of thermal sensors and actuators.

    PubMed

    Webb, R Chad; Pielak, Rafal M; Bastien, Philippe; Ayers, Joshua; Niittynen, Juha; Kurniawan, Jonas; Manco, Megan; Lin, Athena; Cho, Nam Heon; Malyrchuk, Viktor; Balooch, Guive; Rogers, John A

    2015-01-01

    Measurements of the thermal transport properties of the skin can reveal changes in physical and chemical states of relevance to dermatological health, skin structure and activity, thermoregulation and other aspects of human physiology. Existing methods for in vivo evaluations demand complex systems for laser heating and infrared thermography, or they require rigid, invasive probes; neither can apply to arbitrary regions of the body, offers modes for rapid spatial mapping, or enables continuous monitoring outside of laboratory settings. Here we describe human clinical studies using mechanically soft arrays of thermal actuators and sensors that laminate onto the skin to provide rapid, quantitative in vivo determination of both the thermal conductivity and thermal diffusivity, in a completely non-invasive manner. Comprehensive analysis of measurements on six different body locations of each of twenty-five human subjects reveal systematic variations and directional anisotropies in the characteristics, with correlations to the thicknesses of the epidermis (EP) and stratum corneum (SC) determined by optical coherence tomography, and to the water content assessed by electrical impedance based measurements. Multivariate statistical analysis establishes four distinct locations across the body that exhibit different physical properties: heel, cheek, palm, and wrist/volar forearm/dorsal forearm. The data also demonstrate that thermal transport correlates negatively with SC and EP thickness and positively with water content, with a strength of correlation that varies from region to region, e.g., stronger in the palmar than in the follicular regions.

  17. Synthesis of nanoscale copper nitride thin film and modification of the surface under high electronic excitation.

    PubMed

    Ghosh, S; Tripathi, A; Ganesan, V; Avasthi, D K

    2008-05-01

    Nanoscale (approximately 90 nm) Copper nitride (Cu3N) films are deposited on borosilicate glass and Si substrates by RF sputtering technique in the reactive environment of nitrogen gas. These films are irradiated with 200 MeV Au15+ ions from Pelletron accelerator in order to modify the surface by high electronic energy deposition of heavy ions. Due to irradiation (i) at incident ion fluence of 1 x 10(12) ions/cm2 enhancement of grains, (ii) at 5 x 10912) ions/cm2 mass transport on the films surface, (iii) at 2 x 10(13) ions/cm2 line-like features on Cu3N/glass and nanometallic structures on Cu3N/Si surface are observed. The surface morphology is examined by atomic force microscope (AFM). All results are explained on the basis of a thermal spike model of ion-solid interaction.

  18. COBRA-SFS thermal-hydraulic analysis code for spent fuel storage and transportation casks: Models and methods

    DOE PAGES

    Michener, Thomas E.; Rector, David R.; Cuta, Judith M.

    2017-09-01

    COBRA-SFS, a thermal-hydraulics code developed for steady-state and transient analysis of multi-assembly spent-fuel storage and transportation systems, has been incorporated into the Used Nuclear Fuel-Storage, Transportation and Disposal Analysis Resource and Data System tool as a module devoted to spent fuel package thermal analysis. This paper summarizes the basic formulation of the equations and models used in the COBRA-SFS code, showing that COBRA-SFS fully captures the important physical behavior governing the thermal performance of spent fuel storage systems, with internal and external natural convection flow patterns, and heat transfer by convection, conduction, and thermal radiation. Of particular significance is themore » capability for detailed thermal radiation modeling within the fuel rod array.« less

  19. COBRA-SFS thermal-hydraulic analysis code for spent fuel storage and transportation casks: Models and methods

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Michener, Thomas E.; Rector, David R.; Cuta, Judith M.

    COBRA-SFS, a thermal-hydraulics code developed for steady-state and transient analysis of multi-assembly spent-fuel storage and transportation systems, has been incorporated into the Used Nuclear Fuel-Storage, Transportation and Disposal Analysis Resource and Data System tool as a module devoted to spent fuel package thermal analysis. This paper summarizes the basic formulation of the equations and models used in the COBRA-SFS code, showing that COBRA-SFS fully captures the important physical behavior governing the thermal performance of spent fuel storage systems, with internal and external natural convection flow patterns, and heat transfer by convection, conduction, and thermal radiation. Of particular significance is themore » capability for detailed thermal radiation modeling within the fuel rod array.« less

  20. Atomistic study of a nanometer-scale pump based on the thermal ratchet concept

    NASA Astrophysics Data System (ADS)

    Oyarzua, Elton; Walther, J. H.; Zambrano, Harvey

    2015-11-01

    In this study, a novel concept of nanoscale pump fabricated using Carbon Nanotubes (CNTs) is presented. The development of nanofluidic systems provides unprecedented possibilities for the control of biology and chemistry at the molecular level with potential applications in low energy cost devices, novel medical tools, and a new generation of sensors. CNTs offer a number of attractive features for the fabrication of fluidic nanodevices including fast flow, useful electronic and thermal properties, high mechanical strength and biocompatibility. Therefore, the transport of liquids in CNTs is now of great interest in nanofluidics. Thermophoresis is the phenomenon observed when a mixture of two or more types of motile objects experience a force induced by a thermal gradient and the different types of objects respond to it differently, inducing a motion and segregation of the objects. Using molecular dynamics simulations, we explore the possibility to design thermophoretic pumping devices fabricated of CNTs for water transport in nanoconduits. The design of the nanopumps is based on the concept of the Feynman-Smoluchowski ratchet. We aknowledge partial support from Fondecyt project 11130559 and Redoc udec.

  1. Nanoscale Ionic Liquids

    DTIC Science & Technology

    2006-11-01

    Technical Report 11 December 2005 - 30 November 2006 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Nanoscale Ionic Liquids 5b. GRANT NUMBER FA9550-06-1-0012...Title: Nanoscale Ionic Liquids Principal Investigator: Emmanuel P. Giannelis Address: Materials Science and Engineering, Bard Hall, Cornell University...based fluids exhibit high ionic conductivity. The NFs are typically synthesized by grafting a charged, oligomeric corona onto the nanoparticle cores

  2. Energy-harvesting at the Nanoscale

    NASA Astrophysics Data System (ADS)

    Jordan, Andrew; Sothmann, Björn; Sánchez, Rafael; Büttiker, Markus

    2013-03-01

    Energy harvesting is the process by which energy is taken from the environment and transformed to provide power for electronics. Specifically, the conversion of thermal energy into electrical power, or thermoelectrics, can play a crucial role in future developments of alternative sources of energy. Unfortunately, present thermoelectrics have low efficiency. Therefore, an important task in condensed matter physics is to find new ways to harvest ambient thermal energy, particularly at the smallest length scales where electronics operate. To achieve this goal, there is on one hand the miniaturizing of electrical devices, and on the other, the maximization of either efficiency or power the devices produce. We will present the theory of nano heat engines able to efficiently convert heat into electrical power. We propose a resonant tunneling quantum dot engine that can be operated either in the Carnot efficient mode, or maximal power mode. The ability to scale the power by putting many such engines in a ``Swiss cheese sandwich'' geometry gives a paradigmatic system for harvesting thermal energy at the nanoscale. This work was supported by the US NSF Grant No. DMR-0844899, the Swiss NSF, the NCCR MaNEP and QSIT, the European STREP project Nanopower, the CSIC and FSE JAE-Doc program, the Spanish MAT2011-24331 and the ITN Grant 234970 (EU)

  3. Thermal phonon transport in Si thin film with dog-leg shaped asymmetric nanostructures

    NASA Astrophysics Data System (ADS)

    Kage, Yuta; Hagino, Harutoshi; Yanagisawa, Ryoto; Maire, Jeremie; Miyazaki, Koji; Nomura, Masahiro

    2016-08-01

    Thermal phonon transport in single-crystalline Si thin films with dog-leg shaped nanostructures was investigated. Thermal conductivities for the forward and backward directions were measured and compared at 5 and 295 K by micro thermoreflectance. The Si thin film with dog-leg shaped nanostructures showed lower thermal conductivities than those of nanowires and two-dimensional phononic crystals with circular holes at the same surface-to-volume ratio. However, asymmetric thermal conductivity was not observed at small temperature gradient condition in spite of the highly asymmetric shape though the size of the pattern is within thermal phonon mean free path range. We conclude that strong temperature dependent thermal conductivity is required to observe the asymmetric thermal phonon conduction in monolithic materials with asymmetric nanostructures.

  4. Thermal transport and anharmonic phonons in strained monolayer hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Li, Shasha; Chen, Yue

    2017-03-01

    Thermal transport and phonon-phonon coupling in monolayer hexagonal boron nitride (h-BN) under equibiaxial strains are investigated from first principles. Phonon spectra at elevated temperatures have been calculated from perturbation theory using the third-order anharmonic force constants. The stiffening of the out-of-plane transverse acoustic mode (ZA) near the Brillouin zone center and the increase of acoustic phonon lifetimes are found to contribute to the dramatic increase of thermal transport in strained h-BN. The transverse optical mode (TO) at the K point, which was predicted to lead to mechanical failure of h-BN, is found to shift to lower frequencies at elevated temperatures under equibiaxial strains. The longitudinal and transverse acoustic modes exhibit broad phonon spectra under large strains in sharp contrast to the ZA mode, indicating strong in-plane phonon-phonon coupling.

  5. Thermal and thermoelectric transport measurements of an individual boron arsenide microstructure

    NASA Astrophysics Data System (ADS)

    Kim, Jaehyun; Evans, Daniel A.; Sellan, Daniel P.; Williams, Owen M.; Ou, Eric; Cowley, Alan H.; Shi, Li

    2016-05-01

    Recent first principles calculations have predicted that boron arsenide (BAs) can possess an unexpectedly high thermal conductivity that depends sensitively on the crystal size and defect concentration. However, few experimental results have been obtained to verify these predictions. In the present work, we report four-probe thermal and thermoelectric transport measurements of an individual BAs microstructure that was synthesized via a vapor transport method. The measured thermal conductivity was found to decrease slightly with temperature in the range between 250 K and 350 K. The temperature dependence suggests that the extrinsic phonon scattering processes play an important role in addition to intrinsic phonon-phonon scattering. The room temperature value of (186 ± 46) W m-1 K-1 is higher than that of bulk silicon but still a factor of four lower than the calculated result for a defect-free, non-degenerate BAs rod with a similar diameter of 1.15 μm. The measured p-type Seebeck coefficient and thermoelectric power factor are comparable to those of bismuth telluride, which is a commonly used thermoelectric material. The foregoing results also suggest that it is necessary to not only reduce defect and boundary scatterings but also to better understand and control the electron scattering of phonons in order to achieve the predicted ultrahigh intrinsic lattice thermal conductivity of BAs.

  6. Thermal transport in topological-insulator-based superconducting hybrid structures with mixed singlet and triplet pairing states.

    PubMed

    Li, Hai; Zhao, Yuan Yuan

    2017-11-22

    In the framework of the Bogoliubov-de Gennes equation, we investigate the thermal transport properties in topological-insulator-based superconducting hybrid structures with mixed spin-singlet and spin-triplet pairing states, and emphasize the different manifestations of the spin-singlet and spin-triplet pairing states in the thermal transport signatures. It is revealed that the temperature-dependent differential thermal conductance strongly depends on the components of the pairing state, and the negative differential thermal conductance only occurs in the spin-singlet pairing state dominated regime. It is also found that the thermal conductance is profoundly sensitive to the components of the pairing state. In the spin-singlet pairing state controlled regime, the thermal conductance obviously oscillates with the phase difference and junction length. With increasing the proportion of the spin-triplet pairing state, the oscillating characteristic of the thermal conductance fades out distinctly. These results suggest an alternative route for distinguishing the components of pairing states in topological-insulator-based superconducting hybrid structures.

  7. Quantifying resistances across nanoscale low- and high-angle interspherulite boundaries in solution-processed organic semiconductor thin films.

    PubMed

    Lee, Stephanie S; Mativetsky, Jeffrey M; Loth, Marsha A; Anthony, John E; Loo, Yueh-Lin

    2012-11-27

    The nanoscale boundaries formed when neighboring spherulites impinge in polycrystalline, solution-processed organic semiconductor thin films act as bottlenecks to charge transport, significantly reducing organic thin-film transistor mobility in devices comprising spherulitic thin films as the active layers. These interspherulite boundaries (ISBs) are structurally complex, with varying angles of molecular orientation mismatch along their lengths. We have successfully engineered exclusively low- and exclusively high-angle ISBs to elucidate how the angle of molecular orientation mismatch at ISBs affects their resistivities in triethylsilylethynyl anthradithiophene thin films. Conductive AFM and four-probe measurements reveal that current flow is unaffected by the presence of low-angle ISBs, whereas current flow is significantly disrupted across high-angle ISBs. In the latter case, we estimate the resistivity to be 22 MΩμm(2)/width of the ISB, only less than a quarter of the resistivity measured across low-angle grain boundaries in thermally evaporated sexithiophene thin films. This discrepancy in resistivities across ISBs in solution-processed organic semiconductor thin films and grain boundaries in thermally evaporated organic semiconductor thin films likely arises from inherent differences in the nature of film formation in the respective systems.

  8. Friction laws at the nanoscale.

    PubMed

    Mo, Yifei; Turner, Kevin T; Szlufarska, Izabela

    2009-02-26

    Macroscopic laws of friction do not generally apply to nanoscale contacts. Although continuum mechanics models have been predicted to break down at the nanoscale, they continue to be applied for lack of a better theory. An understanding of how friction force depends on applied load and contact area at these scales is essential for the design of miniaturized devices with optimal mechanical performance. Here we use large-scale molecular dynamics simulations with realistic force fields to establish friction laws in dry nanoscale contacts. We show that friction force depends linearly on the number of atoms that chemically interact across the contact. By defining the contact area as being proportional to this number of interacting atoms, we show that the macroscopically observed linear relationship between friction force and contact area can be extended to the nanoscale. Our model predicts that as the adhesion between the contacting surfaces is reduced, a transition takes place from nonlinear to linear dependence of friction force on load. This transition is consistent with the results of several nanoscale friction experiments. We demonstrate that the breakdown of continuum mechanics can be understood as a result of the rough (multi-asperity) nature of the contact, and show that roughness theories of friction can be applied at the nanoscale.

  9. Nanoscale thermal cross-talk effect on phase-change probe memory.

    PubMed

    Wang, Lei; Wen, Jing; Xiong, Bangshu

    2018-05-14

    Phase-change probe memory is considered as one of the most promising means for next-generation mass storage devices. However, the achievable storage density of phase-change probe memory is drastically affected by the resulting thermal cross-talk effect while previously lacking of detailed study. Therefore, a three dimensional model that couples electrical, thermal, and phase-change processes of the Ge2Sb2Te5 media is developed, and subsequently deployed to assess the thermal cross-talk effect based on Si/TiN/ Ge2Sb2Te5/diamond-like carbon structure by appropriately tailoring the electro-thermal and geometrical properties of the storage media stack for a variety of external excitations. The modeling results show that the diamond-like carbon capping with a thin thickness, a high electrical conductivity, and a low thermal conductivity is desired to minimize the thermal cross-talk, while the TiN underlayer has a slight impact on the thermal cross-talk. Combining the modeling findings with the previous film deposition experience, an optimized phase-change probe memory architecture is presented, and its capability of providing ultra-high recording density simultaneously with a sufficiently low thermal cross-talk is demonstrated. . © 2018 IOP Publishing Ltd.

  10. Thermally developing MHD peristaltic transport of nanofluids with velocity and thermal slip effects

    NASA Astrophysics Data System (ADS)

    Sher Akbar, Noreen; Bintul Huda, A.; Tripathi, D.

    2016-09-01

    We investigate the velocity slip and thermal slip effects on peristaltically driven thermal transport of nanofluids through the vertical parallel plates under the influence of transverse magnetic field. The wall surface is propagating with sinusoidal wave velocity c. The flow characteristics are governed by the mass, momentum and energy conservation principle. Low Reynolds number and large wavelength approximations are taken into consideration to simplify the non-linear terms. Analytical solutions for axial velocity, temperature field, pressure gradient and stream function are obtained under certain physical boundary conditions. Two types of nanoparticles, SiO2 and Ag, are considered for analysis with water as base fluid. This is the first article in the literature that discusses the SiO2 and Ag nanoparticles for a peristaltic flow with variable viscosity. The effects of physical parameters on velocity, temperature, pressure and trapping are discussed. A comparative study of SiO2 nanofluid, Ag nanofluid and pure water is also presented. This model is applicable in biomedical engineering to make thermal peristaltic pumps and other pumping devices like syringe pumps, etc. It is observed that pressure for pure water is maximum and pressure for Ag nanofluid is minimum.

  11. The interaction of horizontal eddy transport and thermal drive in the stratosphere

    NASA Technical Reports Server (NTRS)

    Salby, Murry L.; O'Sullivan, Donal; Callaghan, Patrick; Garcia, Rolando R.

    1990-01-01

    The two processes that determine the average state of the circulation; i.e., horizontal eddy transport and thermal dissipation, are examined, and the effects of their interaction on circulation and on tracer distribution in the stratosphere are investigated using barotropic calculations on the sphere. It is shown that eddy advection tends to homogenize the meridional gradient Q at low latitudes, while thermal dissipation restores the gradient after episodes of mixing.

  12. Development and Testing of a Variable Conductance Thermal Acquisition, Transport, and Switching System

    NASA Technical Reports Server (NTRS)

    Bugby, D. C.; Farmer, J. T.; Stouffer, C. J.

    2013-01-01

    This paper describes the development and testing of a scalable thermal control architecture for instruments, subsystems, or systems that must operate in severe space environments with wide variations in sink temperature. The architecture is comprised by linking one or more hot-side variable conductance heat pipes (VCHPs) in series with one or more cold-side loop heat pipes (LHPs). The VCHPs provide wide area heat acquisition, limited distance thermal transport, modest against gravity pumping, concentrated LHP startup heating, and high switching ratio variable conductance operation. The LHPs provide localized heat acquisition, long distance thermal transport, significant against gravity pumping, and high switching ratio variable conductance operation. Combining two variable conductance devices in series ensures very high switching ratio isolation from severe environments like the Earth's moon, where each lunar day spans 15 Earth days (270 K sink, with a surface-shielded/space viewing radiator) and each lunar night spans 15 Earth days (80-100 K radiative sink, depending on location). The single VCHP-single LHP system described herein was developed to maintain thermal control of International Lunar Network (ILN) anchor node lander electronics, but it is also applicable to other variable heat rejection space missions in severe environments. The LHPVCHP system utilizes a stainless steel wire mesh wick ammonia VCHP, a Teflon wick propylene LHP, a pair of one-third square meter high ? radiators (one capillary-pumped horizontal radiator and a second gravity-fed vertical radiator), a half-meter of transport distance, and a wick-bearing co-located flow regulator (CLFR) to allow operation with a hot (deactivated) radiator. The VCHP was designed with a small reservoir formed by extending the length of its stainless steel heat pipe tubing. The system was able to provide end-to-end switching ratios of 300-500 during thermal vacuum testing at ATK, including 3-5 W/K ON conductance

  13. Thermal cycling fatigue of organic thermal interface materials using a thermal-displacement measurement technique

    NASA Astrophysics Data System (ADS)

    Steill, Jason Scott

    The long term reliability of polymer-based thermal interface materials (TIM) is essential for modern electronic packages which require robust thermal management. The challenge for today's materials scientists and engineers is to maximize the heat flow from integrated circuits through a TIM and out the heat sink. Thermal cycling of the electronic package and non-uniformity in the heat flux with respect to the plan area can lead to void formation and delamination which re-introduces inefficient heat transfer. Measurement and understanding at the nano-scale is essential for TIM development. Finding and documenting the evolution of the defects is dependent upon a full understanding of the thermal probes response to changing environmental conditions and the effects of probe usage. The response of the thermal-displacement measurement technique was dominated by changes to the environment. Accurate measurement of the thermal performance was hindered by the inability to create a model system and control the operating conditions. This research highlights the need for continued study into the probe's thermal and mechanical response using tightly controlled test conditions.

  14. Self-constructed tree-shape high thermal conductivity nanosilver networks in epoxy.

    PubMed

    Pashayi, Kamyar; Fard, Hafez Raeisi; Lai, Fengyuan; Iruvanti, Sushumna; Plawsky, Joel; Borca-Tasciuc, Theodorian

    2014-04-21

    We report the formation of high aspect ratio nanoscale tree-shape silver networks in epoxy, at low temperatures (<150 °C) and atmospheric pressures, that are correlated to a ∼200 fold enhancement of thermal conductivity (κ) of the nanocomposite compared to the polymer matrix. The networks form through a three-step process comprising of self-assembly by diffusion limited aggregation of polyvinylpyrrolidone (PVP) coated nanoparticles, removal of PVP coating from the surface, and sintering of silver nanoparticles in high aspect ratio networked structures. Controlling self-assembly and sintering by carefully designed multistep temperature and time processing leads to κ of our silver nanocomposites that are up to 300% of the present state of the art polymer nanocomposites at similar volume fractions. Our investigation of the κ enhancements enabled by tree-shaped network nanocomposites provides a basis for the development of new polymer nanocomposites for thermal transport and storage applications.

  15. Electrical and thermal transport properties of layered Bi2YO4Cu2Se2

    NASA Astrophysics Data System (ADS)

    Xiao, Yu; Pei, Yanling; Chang, Cheng; Zhang, Xiao; Tan, Xing; Ye, Xinxin; Gong, Shengkai; Lin, Yuanhua; He, Jiaqing; Zhao, Li-Dong

    2016-07-01

    Bi2YO4Cu2Se2 possesses a low thermal conductivity and high electrical conductivity at room temperature, which was considered as a potential thermoelectric material. In this work, we have investigated the electrical and thermal transport properties of Bi2YO4Cu2Se2 system in the temperature range from 300 K to 873 K. We found that the total thermal conductivity decreases from 1.8 W m-1 K-1 to 0.9 W m-1 K-1, and the electrical conductivity decreases from 850 S/cm to 163 S/cm in the measured temperature range. To investigate how potential of Bi2YO4Cu2Se2 system, we prepared the heavily Iodine doped samples to counter-dope intrinsically high carrier concentration and improve the electrical transport properties. Interestingly, the Seebeck coefficient could be enhanced to +80 μV/K at 873 K, meanwhile, we found that a low thermal conductivity of 0.7 W m-1 K-1 could be achieved. The intrinsically low thermal conductivity in this system is related to the low elastic properties, such as Young's modulus of 70-72 GPa, and Grüneisen parameters of 1.55-1.71. The low thermal conductivity makes Bi2YO4Cu2Se2 system to be a potential thermoelectric material, the ZT value 0.06 at 873 K was obtained, a higher performance is expected by optimizing electrical transport properties through selecting suitable dopants, modifying band structures or by further reducing thermal conductivity through nanostructuring etc.

  16. Enhancement of the thermal transport in a culture medium with Au nanoparticles

    NASA Astrophysics Data System (ADS)

    Jiménez-Pérez, J. L.; Fuentes, R. Gutierrez; Alvarado, E. Maldonado; Ramón-Gallegos, E.; Cruz-Orea, A.; Tánori-Cordova, J.; Mendoza-Alvarez, J. G.

    2008-11-01

    In this work, it is reported the gold nanoparticles synthesis, their characterization, and their application to the enhancement of the thermal transport in a cellular culture medium. The Au nanoparticles (NPs), with average size of 10 nm, contained into a culture medium (DMEM (1)/F12(1)) (CM) increased considerably the heat transfer in the medium. Thermal lens spectrometry (TLS) was used to measure the thermal diffusivity of the nanofluids. The characteristic time constant of the transient thermal lens was obtained by fitting the theoretical expression, for transient thermal lens, to the experimental data. Our results show that the thermal diffusivity of the culture medium is highly sensitive to the Au nanoparticle concentration and size. The ability to modify the thermal properties to nanometer scale becomes very important in medical applications as in the case of cancer treatment by using photodynamic therapy (PDT). A complementary study with UV-vis and TEM techniques was performed to characterize the Au nanoparticles.

  17. Electrophoretic Separation of Single Particles Using Nanoscale Thermoplastic Columns.

    PubMed

    Weerakoon-Ratnayake, Kumuditha M; Uba, Franklin I; Oliver-Calixte, Nyoté J; Soper, Steven A

    2016-04-05

    Phenomena associated with microscale electrophoresis separations cannot, in many cases, be applied to the nanoscale. Thus, understanding the electrophoretic characteristics associated with the nanoscale will help formulate relevant strategies that can optimize the performance of separations carried out on columns with at least one dimension below 150 nm. Electric double layer (EDL) overlap, diffusion, and adsorption/desorption properties and/or dielectrophoretic effects giving rise to stick/slip motion are some of the processes that can play a role in determining the efficiency of nanoscale electrophoretic separations. We investigated the performance characteristics of electrophoretic separations carried out in nanoslits fabricated in poly(methyl methacrylate), PMMA, devices. Silver nanoparticles (AgNPs) were used as the model system with tracking of their transport via dark field microscopy and localized surface plasmon resonance. AgNPs capped with citrate groups and the negatively charged PMMA walls (induced by O2 plasma modification of the nanoslit walls) enabled separations that were not apparent when these particles were electrophoresed in microscale columns. The separation of AgNPs based on their size without the need for buffer additives using PMMA nanoslit devices is demonstrated herein. Operational parameters such as the electric field strength, nanoslit dimensions, and buffer composition were evaluated as to their effects on the electrophoretic performance, both in terms of efficiency (plate numbers) and resolution. Electrophoretic separations performed at high electric field strengths (>200 V/cm) resulted in higher plate numbers compared to lower fields due to the absence of stick/slip motion at the higher electric field strengths. Indeed, 60 nm AgNPs could be separated from 100 nm particles in free solution using nanoscale electrophoresis with 100 μm long columns.

  18. Characteristics of Trailer Thermal Environment during Commercial Swine Transport Managed under U.S. Industry Guidelines

    PubMed Central

    Xiong, Yijie; Green, Angela; Gates, Richard S.

    2015-01-01

    Simple Summary Temperature and thermal conditions of the interior of a swine trailer during transport were monitored over a broad range of outdoor conditions (34 trips total) managed according to industry best practice (Transport Quality Assurance (TQA) guidelines (NPB, 2008)). For the outdoor temperature range of 5 °C (40 °F) to 27 °C (80 °F), generally acceptable trailer thermal conditions were observed according to the TQA. Beyond this outdoor temperature range, undesirable conditions within the trailer were prevalent. Areas for potential improvement in transport management were identified. Stops resulted in rapid increases in temperature, which could be beneficial during cooler outdoor temperatures, but detrimental for warmer outdoor temperatures. Abstract Transport is a critical factor in modern pork production and can seriously affect swine welfare. While previous research has explored thermal conditions during transport, the impact of extreme weather conditions on the trailer thermal environment under industry practices has not been well documented; and the critical factors impacting microclimate are not well understood. To assess the trailer microclimate during transport events, an instrumentation system was designed and installed at the central ceiling level, pig level and floor-level in each of six zones inside a commercial swine trailer. Transport environmental data from 34 monitoring trips (approximately 1–4 h in duration each) were collected from May, 2012, to February, 2013, with trailer management corresponding to the National Pork Board Transport Quality Assurance (TQA) guidelines in 31 of these trips. According to the TQA guidelines, for outdoor temperature ranging from 5 °C (40 °F) to 27 °C (80 °F), acceptable thermal conditions were observed based on the criteria that no more than 10% of the trip duration was above 35 °C (95 °F) or below 0 °C (32 °F). Recommended bedding, boarding and water application were sufficient in this range

  19. The electrical and thermal transport properties of hybrid zigzag graphene-BN nanoribbons

    NASA Astrophysics Data System (ADS)

    Gao, Song; Lu, Wei; Zheng, Guo-Hui; Jia, Yalei; Ke, San-Huang

    2017-06-01

    The electron and phonon transport in hybrid graphene-BN zigzag nanoribbons are investigated by the nonequilibrium Green’s function method combined with density functional theory calculations. A 100% spin-polarized electron transport in a large energy window around the Fermi level is found and this behavior is independent of the ribbon width as long as there contain 3 zigzag carbon chains. The phonon transport calculations show that the ratio of C-chain number to BN-chain number will modify the thermal conductance of the hybrid nanoribbon in a complicated manner.

  20. Observation of conducting filament growth in nanoscale resistive memories

    NASA Astrophysics Data System (ADS)

    Yang, Yuchao; Gao, Peng; Gaba, Siddharth; Chang, Ting; Pan, Xiaoqing; Lu, Wei

    2012-03-01

    Nanoscale resistive switching devices, sometimes termed memristors, have recently generated significant interest for memory, logic and neuromorphic applications. Resistive switching effects in dielectric-based devices are normally assumed to be caused by conducting filament formation across the electrodes, but the nature of the filaments and their growth dynamics remain controversial. Here we report direct transmission electron microscopy imaging, and structural and compositional analysis of the nanoscale conducting filaments. Through systematic ex-situ and in-situ transmission electron microscopy studies on devices under different programming conditions, we found that the filament growth can be dominated by cation transport in the dielectric film. Unexpectedly, two different growth modes were observed for the first time in materials with different microstructures. Regardless of the growth direction, the narrowest region of the filament was found to be near the dielectric/inert-electrode interface in these devices, suggesting that this region deserves particular attention for continued device optimization.

  1. A poly(vinyl alcohol)/sodium alginate blend monolith with nanoscale porous structure

    PubMed Central

    2013-01-01

    A stimuli-responsive poly(vinyl alcohol) (PVA)/sodium alginate (SA) blend monolith with nanoscale porous (mesoporous) structure is successfully fabricated by thermally impacted non-solvent induced phase separation (TINIPS) method. The PVA/SA blend monolith with different SA contents is conveniently fabricated in an aqueous methanol without any templates. The solvent suitable for the fabrication of the present blend monolith by TINIPS is different with that of the PVA monolith. The nanostructural control of the blend monolith is readily achieved by optimizing the fabrication conditions. Brunauer Emmett Teller measurement shows that the obtained blend monolith has a large surface area. Pore size distribution plot for the blend monolith obtained by the non-local density functional theory method reveals the existence of the nanoscale porous structure. Fourier transform infrared analysis reveals the strong interactions between PVA and SA. The pH-responsive property of the blend monolith is investigated on the basis of swelling ratio in different pH solutions. The present blend monolith of biocompatible and biodegradable PVA and SA with nanoscale porous structure has large potential for applications in biomedical and environmental fields. PMID:24093494

  2. A poly(vinyl alcohol)/sodium alginate blend monolith with nanoscale porous structure.

    PubMed

    Sun, Xiaoxia; Uyama, Hiroshi

    2013-10-04

    A stimuli-responsive poly(vinyl alcohol) (PVA)/sodium alginate (SA) blend monolith with nanoscale porous (mesoporous) structure is successfully fabricated by thermally impacted non-solvent induced phase separation (TINIPS) method. The PVA/SA blend monolith with different SA contents is conveniently fabricated in an aqueous methanol without any templates. The solvent suitable for the fabrication of the present blend monolith by TINIPS is different with that of the PVA monolith. The nanostructural control of the blend monolith is readily achieved by optimizing the fabrication conditions. Brunauer Emmett Teller measurement shows that the obtained blend monolith has a large surface area. Pore size distribution plot for the blend monolith obtained by the non-local density functional theory method reveals the existence of the nanoscale porous structure. Fourier transform infrared analysis reveals the strong interactions between PVA and SA. The pH-responsive property of the blend monolith is investigated on the basis of swelling ratio in different pH solutions. The present blend monolith of biocompatible and biodegradable PVA and SA with nanoscale porous structure has large potential for applications in biomedical and environmental fields.

  3. Crossover behavior of the thermal conductance and Kramers’ transition rate theory

    DOE PAGES

    Velizhanin, Kirill A.; Sahu, Subin; Chien, Chih -Chun; ...

    2015-12-04

    Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive themore » heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Finally, not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.« less

  4. Quantitative measurements of nanoscale permittivity and conductivity using tuning-fork-based microwave impedance microscopy

    NASA Astrophysics Data System (ADS)

    Wu, Xiaoyu; Hao, Zhenqi; Wu, Di; Zheng, Lu; Jiang, Zhanzhi; Ganesan, Vishal; Wang, Yayu; Lai, Keji

    2018-04-01

    We report quantitative measurements of nanoscale permittivity and conductivity using tuning-fork (TF) based microwave impedance microscopy (MIM). The system is operated under the driving amplitude modulation mode, which ensures satisfactory feedback stability on samples with rough surfaces. The demodulated MIM signals on a series of bulk dielectrics are in good agreement with results simulated by finite-element analysis. Using the TF-MIM, we have visualized the evolution of nanoscale conductance on back-gated MoS2 field effect transistors, and the results are consistent with the transport data. Our work suggests that quantitative analysis of mesoscopic electrical properties can be achieved by near-field microwave imaging with small distance modulation.

  5. Thermally modulated biomolecule transport through nanoconfined channels

    NASA Astrophysics Data System (ADS)

    Liu, Lei; Zhu, Lizhong

    2015-04-01

    In this work, a nanofluidic device containing both a feed cell and a permeation cell linked by nanopore arrays has been fabricated, which is employed to investigate thermally controlled biomolecular transporting properties through confined nanochannels. The ionic currents modulated by the translocations of goat antibody to human immunoglobulin G (IgG) or bovine serum albumin (BSA) are recorded and analyzed. The results suggest that the modulation effect decreases with the electrolyte concentration increasing, while the effects generated by IgG translocation are more significant than that generated by BSA translocation. More importantly, there is a maximum decreasing value in each modulated current curve with biomolecule concentration increasing for thermally induced intermolecular collision. Furthermore, the turning point for the maximum shifts to lower biomolecule concentrations with the system temperature rising (from 4°C to 45°C), and it is mainly determined by the temperature in the feed cell if the temperature difference exists in the two separated cells. These findings are expected to be valuable for the future design of novel sensing device based on nanopore and/or nanopore arrays.

  6. Thermal and thermoelectric transport measurements of an individual boron arsenide microstructure

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Jaehyun; Sellan, Daniel P.; Ou, Eric

    2016-05-16

    Recent first principles calculations have predicted that boron arsenide (BAs) can possess an unexpectedly high thermal conductivity that depends sensitively on the crystal size and defect concentration. However, few experimental results have been obtained to verify these predictions. In the present work, we report four-probe thermal and thermoelectric transport measurements of an individual BAs microstructure that was synthesized via a vapor transport method. The measured thermal conductivity was found to decrease slightly with temperature in the range between 250 K and 350 K. The temperature dependence suggests that the extrinsic phonon scattering processes play an important role in addition to intrinsic phonon-phononmore » scattering. The room temperature value of (186 ± 46) W m{sup −1 }K{sup −1} is higher than that of bulk silicon but still a factor of four lower than the calculated result for a defect-free, non-degenerate BAs rod with a similar diameter of 1.15 μm. The measured p-type Seebeck coefficient and thermoelectric power factor are comparable to those of bismuth telluride, which is a commonly used thermoelectric material. The foregoing results also suggest that it is necessary to not only reduce defect and boundary scatterings but also to better understand and control the electron scattering of phonons in order to achieve the predicted ultrahigh intrinsic lattice thermal conductivity of BAs.« less

  7. Nanoscale Structure at Mineral-Fluid Interfaces

    NASA Astrophysics Data System (ADS)

    Sturchio, N. C.; Sturchio, N. C.; Fenter, P.; Cheng, L.; Park, C.; Zhang, Z.; Zhang, Z.; Nagy, K. L.; Schlegel, M. L.

    2001-12-01

    The nature of nanoparticles and their role in the natural environment is currently a subject of renewed interest. The high surface area (and surface area-to-volume ratio) of nanoparticles exerts a widespread influence on geochemical reactions and transport processes. A thorough understanding of the nanoscale world remains largely hypothetical, however, because of the challenges associated with characterizing nanoscale structures and processes. Recent insights gained from high-resolution synchrotron x-ray reflectivity measurements at the solid-fluid interfaces of macroscopic (i.e., mm-scale) mineral particles may provide relevant guidelines for expected nanoparticle surface structures. For example, at calcite-water and barite-water interfaces, undercoordinated surface cations bond with water species of variable protonation, and modest relaxations (to several hundredths of a nanometer) affect the outermost unit cells [1,2]. Undercoordinated tetrahedral ions at aluminosilicate surfaces also bond with water species, whereas interstitial or interlayer alkali or alkaline earth ions at the surface may readily exchange with hydronium or other ions; modest relaxations also affect the outermost unit cells [3,4]. Modulation of liquid water structure out to about one nanometer has been observed at the (001) cleavage surface of muscovite in deionized water, and may be present at other mineral-fluid interfaces [4]. Dissolution mechanisms at the orthoclase-water interface have been clarified by combining x-ray reflectivity and scanning force microscopy measurements [5]. Further progress in understanding nanoscale structures and processes at macroscopic mineral-water interfaces is likely to benefit nanoparticle studies. [1] Fenter et al. (2000) Geochim. Cosmochim. Acta 64, 1221-1228. [2] Fenter et al. (2001) J. Phys. Chem. B 105(34), 8112-8119. [3] Fenter et al. (2000) Geochim. Cosmochim. Acta 64, 3663-3673. [4] Cheng et al. (2001) Phys. Rev. Lett., (in press). [5] Teng et al

  8. Performance of nanoscale metallic multilayer systems under mechanical and thermal loading

    NASA Astrophysics Data System (ADS)

    Economy, David Ross

    Reports of nanoscale metallic multilayers (NMM) performance show a relatively high strength and radiation damage resistance when compared their monolithic components. Hardness of NMMs has been shown to increase with increasing interfacial density (i.e. decreasing layer thickness). This interface density-dependent behavior within NMMs has been shown to deviate from Hall-Petch strengthening, leading to higher measured strengths during normal loading than those predicted by a rule of mixtures. To fully understand why this occurs, other researchers have looked at the influence of the crystal structures of the component layers, orientations, and compositions on deformation processes. Additionally, a limited number of studies have focused on the structural stability and possible performance variation between as-deposited systems and those exposed to mechanical and thermal loading. This dissertation identified how NMM as-deposited structures and performance are altered by mechanical loading (sliding/wear contact) and/or thermal (such as diffusion, relaxation) loading. These objectives were pursued by tracking hardness evolution during sliding wear and after thermal loading to as-deposited stress and mechanical properties. Residual stress progression was also examined during thermal loading and supporting data was collected to detail structural and chemical changes. All of these experimental observations were conducted using Cu/Nb NMMs with 2 nm, 20 nm, or 100 nm thick individual layers deposited with either 1 microm or 10 microm total thicknesses with two geometries (Cu/Nb and Nb/Cu) on (100) Si. Wear boxes were performed on Cu/Nb NMM using a nanoindentation system with a 1 microm conical diamond counterface. After nano-wear deformation, the hardness of the deformed regions significantly rose with respect to as-deposited measurements, which further increased with greater wear loads. Additionally, NMMs with thinner layers showed less volume loss as measured by laser

  9. Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation.

    PubMed

    Yang, Lina; Minnich, Austin J

    2017-03-14

    Nanocrystalline thermoelectric materials based on Si have long been of interest because Si is earth-abundant, inexpensive, and non-toxic. However, a poor understanding of phonon grain boundary scattering and its effect on thermal conductivity has impeded efforts to improve the thermoelectric figure of merit. Here, we report an ab-initio based computational study of thermal transport in nanocrystalline Si-based materials using a variance-reduced Monte Carlo method with the full phonon dispersion and intrinsic lifetimes from first-principles as input. By fitting the transmission profile of grain boundaries, we obtain excellent agreement with experimental thermal conductivity of nanocrystalline Si [Wang et al. Nano Letters 11, 2206 (2011)]. Based on these calculations, we examine phonon transport in nanocrystalline SiGe alloys with ab-initio electron-phonon scattering rates. Our calculations show that low energy phonons still transport substantial amounts of heat in these materials, despite scattering by electron-phonon interactions, due to the high transmission of phonons at grain boundaries, and thus improvements in ZT are still possible by disrupting these modes. This work demonstrates the important insights into phonon transport that can be obtained using ab-initio based Monte Carlo simulations in complex nanostructured materials.

  10. Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation

    PubMed Central

    Yang, Lina; Minnich, Austin J.

    2017-01-01

    Nanocrystalline thermoelectric materials based on Si have long been of interest because Si is earth-abundant, inexpensive, and non-toxic. However, a poor understanding of phonon grain boundary scattering and its effect on thermal conductivity has impeded efforts to improve the thermoelectric figure of merit. Here, we report an ab-initio based computational study of thermal transport in nanocrystalline Si-based materials using a variance-reduced Monte Carlo method with the full phonon dispersion and intrinsic lifetimes from first-principles as input. By fitting the transmission profile of grain boundaries, we obtain excellent agreement with experimental thermal conductivity of nanocrystalline Si [Wang et al. Nano Letters 11, 2206 (2011)]. Based on these calculations, we examine phonon transport in nanocrystalline SiGe alloys with ab-initio electron-phonon scattering rates. Our calculations show that low energy phonons still transport substantial amounts of heat in these materials, despite scattering by electron-phonon interactions, due to the high transmission of phonons at grain boundaries, and thus improvements in ZT are still possible by disrupting these modes. This work demonstrates the important insights into phonon transport that can be obtained using ab-initio based Monte Carlo simulations in complex nanostructured materials. PMID:28290484

  11. Nucleation time of nanoscale water bridges.

    PubMed

    Szoszkiewicz, Robert; Riedo, Elisa

    2005-09-23

    Water capillaries bind together grains of sand. They also can bind an atomic force microscope tip to a substrate. The kinetics of capillary condensation at the nanoscale is studied here using friction force microscopy. At 40% relative humidity we find that the meniscus nucleation times increase from 0.7 to 4.2 ms when the temperature decreases from 332 to 299 K. The nucleation times grow exponentially with the inverse temperature 1/T obeying an Arrhenius law. We obtain a nucleation energy barrier of 7.8 x 10(-20) J and an attempt frequency ranging between 4 and 250 GHz, in excellent agreement with theoretical predictions. These results provide direct experimental evidence that capillary condensation is a thermally activated phenomenon.

  12. Shear deformation-induced anisotropic thermal conductivity of graphene.

    PubMed

    Cui, Liu; Shi, Sanqiang; Wei, Gaosheng; Du, Xiaoze

    2018-01-03

    Graphene-based materials exhibit intriguing phononic and thermal properties. In this paper, we have investigated the heat conductance in graphene sheets under shear-strain-induced wrinkling deformation, using equilibrium molecular dynamics simulations. A significant orientation dependence of the thermal conductivity of graphene wrinkles (GWs) is observed. The directional dependence of the thermal conductivity of GWs stems from the anisotropy of phonon group velocities as revealed by the G-band broadening of the phonon density of states (DOS), the anisotropy of thermal resistance as evidenced by the G-band peak mismatch of the phonon DOS, and the anisotropy of phonon relaxation times as a direct result of the double-exponential-fitting of the heat current autocorrelation function. By analyzing the relative contributions of different lattice vibrations to the heat flux, we have shown that the contributions of different lattice vibrations to the heat flux of GWs are sensitive to the heat flux direction, which further indicates the orientation-dependent thermal conductivity of GWs. Moreover, we have found that, in the strain range of 0-0.1, the anisotropy ratio of GWs increases monotonously with increasing shear strain. This is induced by the change in the number of wrinkles, which is more influential in the direction perpendicular to the wrinkle texture. The findings elucidated here emphasize the utility of wrinkle engineering for manipulation of nanoscale heat transport, which offers opportunities for the development of thermal channeling devices.

  13. Controlling Heat Transport and Flow Structures in Thermal Turbulence Using Ratchet Surfaces

    NASA Astrophysics Data System (ADS)

    Jiang, Hechuan; Zhu, Xiaojue; Mathai, Varghese; Verzicco, Roberto; Lohse, Detlef; Sun, Chao

    2018-01-01

    In this combined experimental and numerical study on thermally driven turbulence in a rectangular cell, the global heat transport and the coherent flow structures are controlled with an asymmetric ratchetlike roughness on the top and bottom plates. We show that, by means of symmetry breaking due to the presence of the ratchet structures on the conducting plates, the orientation of the large scale circulation roll (LSCR) can be locked to a preferred direction even when the cell is perfectly leveled out. By introducing a small tilt to the system, we show that the LSCR orientation can be tuned and controlled. The two different orientations of LSCR give two quite different heat transport efficiencies, indicating that heat transport is sensitive to the LSCR direction over the asymmetric roughness structure. Through a quantitative analysis of the dynamics of thermal plume emissions and the orientation of the LSCR over the asymmetric structure, we provide a physical explanation for these findings. The current work has important implications for passive and active flow control in engineering, biofluid dynamics, and geophysical flows.

  14. Experimental simulation of latent heat thermal energy storage and heat pipe thermal transport for dish concentrator solar receiver

    NASA Technical Reports Server (NTRS)

    Narayanan, R.; Zimmerman, W. F.; Poon, P. T. Y.

    1981-01-01

    Test results on a modular simulation of the thermal transport and heat storage characteristics of a heat pipe solar receiver (HPSR) with thermal energy storage (TES) are presented. The HPSR features a 15-25 kWe Stirling engine power conversion system at the focal point of a parabolic dish concentrator operating at 827 C. The system collects and retrieves solar heat with sodium pipes and stores the heat in NaF-MgF2 latent heat storage material. The trials were run with a single full scale heat pipe, three full scale TES containers, and an air-cooled heat extraction coil to replace the Stirling engine heat exchanger. Charging and discharging, constant temperature operation, mixed mode operation, thermal inertial, etc. were studied. The heat pipe performance was verified, as were the thermal energy storage and discharge rates and isothermal discharges.

  15. An evaluation method for nanoscale wrinkle

    NASA Astrophysics Data System (ADS)

    Liu, Y. P.; Wang, C. G.; Zhang, L. M.; Tan, H. F.

    2016-06-01

    In this paper, a spectrum-based wrinkling analysis method via two-dimensional Fourier transformation is proposed aiming to solve the difficulty of nanoscale wrinkle evaluation. It evaluates the wrinkle characteristics including wrinkling wavelength and direction simply using a single wrinkling image. Based on this method, the evaluation results of nanoscale wrinkle characteristics show agreement with the open experimental results within an error of 6%. It is also verified to be appropriate for the macro wrinkle evaluation without scale limitations. The spectrum-based wrinkling analysis is an effective method for nanoscale evaluation, which contributes to reveal the mechanism of nanoscale wrinkling.

  16. Evidence of thermal transport anisotropy in stable glasses of vapor deposited organic molecules

    NASA Astrophysics Data System (ADS)

    Ràfols-Ribé, Joan; Dettori, Riccardo; Ferrando-Villalba, Pablo; Gonzalez-Silveira, Marta; Abad, Llibertat; Lopeandía, Aitor F.; Colombo, Luciano; Rodríguez-Viejo, Javier

    2018-03-01

    Vapor deposited organic glasses are currently in use in many optoelectronic devices. Their operation temperature is limited by the glass transition temperature of the organic layers and thermal management strategies become increasingly important to improve the lifetime of the device. Here we report the unusual finding that molecular orientation heavily influences heat flow propagation in glassy films of small molecule organic semiconductors. The thermal conductivity of vapor deposited thin-film semiconductor glasses is anisotropic and controlled by the deposition temperature. We compare our data with extensive molecular dynamics simulations to disentangle the role of density and molecular orientation on heat propagation. Simulations do support the view that thermal transport along the backbone of the organic molecule is strongly preferred with respect to the perpendicular direction. This is due to the anisotropy of the molecular interaction strength that limits the transport of atomic vibrations. This approach could be used in future developments to implement small molecule glassy films in thermoelectric or other organic electronic devices.

  17. Molecular Clusters: Nanoscale Building Blocks for Solid-State Materials.

    PubMed

    Pinkard, Andrew; Champsaur, Anouck M; Roy, Xavier

    2018-04-17

    spectroscopy, to ascertain features about the constituent superatomic building blocks, such as the charge of the cluster cores, by analysis of bond distances from the SCXRD data. The combination of atomic precision and intercluster interactions in these SACs produces novel collective properties, including tunable electrical transport, crystalline thermal conductivity, and ferromagnetism. In addition, we have developed a synthetic strategy to insert redox-active guests into the superstructure of SACs via single-crystal-to-single-crystal intercalation. This intercalation process allows us to tune the optical and electrical transport properties of the superatomic crystal host. These properties are explored using a host of techniques, including Raman spectroscopy, SQUID magnetometry, electrical transport measurements, electronic absorption spectroscopy, differential scanning calorimetry, and frequency-domain thermoreflectance. Superatomic crystals have proven to be both robust and tunable, representing a new method of materials design and architecture. This Account demonstrates how precisely controlling the structure and properties of nanoscale building blocks is key in developing the next generation of functional materials; several examples are discussed and detailed herein.

  18. A Model to Couple Flow, Thermal and Reactive Chemical Transport, and Geo-mechanics in Variably Saturated Media

    NASA Astrophysics Data System (ADS)

    Yeh, G. T.; Tsai, C. H.

    2015-12-01

    This paper presents the development of a THMC (thermal-hydrology-mechanics-chemistry) process model in variably saturated media. The governing equations for variably saturated flow and reactive chemical transport are obtained based on the mass conservation principle of species transport supplemented with Darcy's law, constraint of species concentration, equation of states, and constitutive law of K-S-P (Conductivity-Degree of Saturation-Capillary Pressure). The thermal transport equation is obtained based on the conservation of energy. The geo-mechanic displacement is obtained based on the assumption of equilibrium. Conventionally, these equations have been implicitly coupled via the calculations of secondary variables based on primary variables. The mechanisms of coupling have not been obvious. In this paper, governing equations are explicitly coupled for all primary variables. The coupling is accomplished via the storage coefficients, transporting velocities, and conduction-dispersion-diffusion coefficient tensor; one set each for every primary variable. With this new system of equations, the coupling mechanisms become clear. Physical interpretations of every term in the coupled equations will be discussed. Examples will be employed to demonstrate the intuition and superiority of these explicit coupling approaches. Keywords: Variably Saturated Flow, Thermal Transport, Geo-mechanics, Reactive Transport.

  19. Defect-Engineered Heat Transport in Graphene: A Route to High Efficient Thermal Rectification

    PubMed Central

    Zhao, Weiwei; Wang, Yanlei; Wu, Zhangting; Wang, Wenhui; Bi, Kedong; Liang, Zheng; Yang, Juekuan; Chen, Yunfei; Xu, Zhiping; Ni, Zhenhua

    2015-01-01

    Low-dimensional materials such as graphene provide an ideal platform to probe the correlation between thermal transport and lattice defects, which could be engineered at the molecular level. In this work, we perform molecular dynamics simulations and non-contact optothermal Raman measurements to study this correlation. We find that oxygen plasma treatment could reduce the thermal conductivity of graphene significantly even at extremely low defect concentration (∼83% reduction for ∼0.1% defects), which could be attributed mainly to the creation of carbonyl pair defects. Other types of defects such as hydroxyl, epoxy groups and nano-holes demonstrate much weaker effects on the reduction where the sp2 nature of graphene is better preserved. With the capability of selectively functionalizing graphene, we propose an asymmetric junction between graphene and defective graphene with a high thermal rectification ratio of ∼46%, as demonstrated by our molecular dynamics simulation results. Our findings provide fundamental insights into the physics of thermal transport in defective graphene, and two-dimensional materials in general, which could help on the future design of functional applications such as optothermal and electrothermal devices. PMID:26132747

  20. Molecular level assessment of thermal transport and thermoelectricity in materials: From bulk alloys to nanostructures

    NASA Astrophysics Data System (ADS)

    Kinaci, Alper

    The ability to manipulate material response to dynamical processes depends on the extent of understanding of transport properties and their variation with chemical and structural features in materials. In this perspective, current work focuses on the thermal and electronic transport behavior of technologically important bulk and nanomaterials. Strontium titanate is a potential thermoelectric material due to its large Seebeck coefficient. Here, first principles electronic band structure and Boltzmann transport calculations are employed in studying the thermoelectric properties of this material in doped and deformed states. The calculations verified that excessive carrier concentrations are needed for this material to be used in thermoelectric applications. Carbon- and boron nitride-based nanomaterials also offer new opportunities in many applications from thermoelectrics to fast heat removers. For these materials, molecular dynamics calculations are used to evaluate lattice thermal transport. To do this, first, an energy moment term is reformulated for periodic boundary conditions and tested to calculate thermal conductivity from Einstein relation in various systems. The influences of the structural details (size, dimensionality) and defects (vacancies, Stone-Wales defects, edge roughness, isotopic disorder) on the thermal conductivity of C and BN nanostructures are explored. It is observed that single vacancies scatter phonons stronger than other type of defects due to unsatisfied bonds in their structure. In pristine states, BN nanostructures have 4-6 times lower thermal conductivity compared to C counterparts. The reason of this observation is investigated on the basis of phonon group velocities, life times and heat capacities. The calculations show that both phonon group velocities and life times are smaller in BN systems. Quantum corrections are also discussed for these classical simulations. The chemical and structural diversity that could be attained by

  1. Micro- and Nano-Scale Electrically Driven Two-Phase Thermal Management

    NASA Technical Reports Server (NTRS)

    Didion, Jeffrey R.

    2016-01-01

    This presentation discusses ground based proof of concept hardware under development at NASA GSFC to address high heat flux thermal management in silicon substrates. The goal is to develop proof of concept hardware for space flight validation. The space flight hardware will provide gravity insensitive thermal management for electronics applications such as transmit receive modules that are severely limited by thermal concerns.

  2. Stability and transport of commercial metal oxide nanoparticles in aquatic systems

    EPA Science Inventory

    The use of nano-technology and the application of products containing nano-scale particles have been increasing. When nano-scale particles are released to the environment, their stability, transport properties and interaction with other pollutants and natural organic matter play ...

  3. Physical vapor transport of mercurous chloride under a nonlinear thermal profile

    NASA Technical Reports Server (NTRS)

    Mennetrier, Christophe; Duval, Walter M. B.; Singh, Narsingh B.

    1992-01-01

    Our study investigates numerically the flow field characteristics during the growth of mercurous chloride (Hg2Cl2) crystals in a rectangular ampoule under terrestrial and microgravity conditions for a nonlinear thermal gradient. With a residual gas lighter than the nutrient, the solutal Grashof number is dominant. We observe that in tilted configurations, when solutal convection is dominant, the maximum transport rate occurs at approximately 40 percent. For the vertical configurations, we were able to obtain solutions only for the cases either below the critical Rayleigh numbers or the stabilized configurations. The total mass flux decreases exponentially with an increase of pressure of residual gas, but it increases following a power law with the temperature difference driving the transport. The nonlinear thermal gradient appears to destabilize the flow field when thermal convection is dominant for both vertical top-heated and bottom-heated configurations. However, when the solutal Grashof number is dominant, the density gradient resulting from the solutal gradient appears to stabilize the flow for the bottom-heated configuration. The flow field for the top-heated configuration is destabilized for high Grashof numbers. The microgravity environment provides a means for lowering convection. For gravity levels of 10(exp -3) g(0) or less, the Stefan wind drives the flow, and no recirculating cell is predicted.

  4. Thermally driven advection for radioxenon transport from an underground nuclear explosion

    NASA Astrophysics Data System (ADS)

    Sun, Yunwei; Carrigan, Charles R.

    2016-05-01

    Barometric pumping is a ubiquitous process resulting in migration of gases in the subsurface that has been studied as the primary mechanism for noble gas transport from an underground nuclear explosion (UNE). However, at early times following a UNE, advection driven by explosion residual heat is relevant to noble gas transport. A rigorous measure is needed for demonstrating how, when, and where advection is important. In this paper three physical processes of uncertain magnitude (oscillatory advection, matrix diffusion, and thermally driven advection) are parameterized by using boundary conditions, system properties, and source term strength. Sobol' sensitivity analysis is conducted to evaluate the importance of all physical processes influencing the xenon signals. This study indicates that thermally driven advection plays a more important role in producing xenon signals than oscillatory advection and matrix diffusion at early times following a UNE, and xenon isotopic ratios are observed to have both time and spatial dependence.

  5. Multiscale modeling of nanostructured ZnO based devices for optoelectronic applications: Dynamically-coupled structural fields, charge, and thermal transport processes

    NASA Astrophysics Data System (ADS)

    Abdullah, Abdulmuin; Alqahtani, Saad; Nishat, Md Rezaul Karim; Ahmed, Shaikh; SIU Nanoelectronics Research Group Team

    Recently, hybrid ZnO nanostructures (such as ZnO deposited on ZnO-alloys, Si, GaN, polymer, conducting oxides, and organic compounds) have attracted much attention for their possible applications in optoelectronic devices (such as solar cells, light emitting and laser diodes), as well as in spintronics (such as spin-based memory, and logic). However, efficiency and performance of these hybrid ZnO devices strongly depend on an intricate interplay of complex, nonlinear, highly stochastic and dynamically-coupled structural fields, charge, and thermal transport processes at different length and time scales, which have not yet been fully assessed experimentally. In this work, we study the effects of these coupled processes on the electronic and optical emission properties in nanostructured ZnO devices. The multiscale computational framework employs the atomistic valence force-field molecular mechanics, models for linear and non-linear polarization, the 8-band sp3s* tight-binding models, and coupling to a TCAD toolkit to determine the terminal properties of the device. A series of numerical experiments are performed (by varying different nanoscale parameters such as size, geometry, crystal cut, composition, and electrostatics) that mainly aim to improve the efficiency of these devices. Supported by the U.S. National Science Foundation Grant No. 1102192.

  6. PREFACE: Superconductivity in ultrathin films and nanoscale systems Superconductivity in ultrathin films and nanoscale systems

    NASA Astrophysics Data System (ADS)

    Bianconi, Antonio; Bose, Sangita; Garcia-Garcia, Antonio Miguel

    2012-12-01

    appears to enhance the critical temperature [4]. This is a hot topic as in the past year many works have clarified the nanoscale phase separation in electron-doped chalcogenides, showing the key role of a complex texture of nanograins and opening new avenues for the fundamental understanding of quantum phenomena in networks of superconducting nanograins. The advances in nanotechnology allow the exploration of the possible existence of superconductivity in single carbon nanotubes [5]. The technological applications presented by Gomez [6] and Lehtinen [7] show the fundamental physics of superconductivity at the nanoscale to promote new advances in quantum devices. We hope that this combination will make these focus papers in Superconductor Science and Technology interesting and promote cross-fertilization among the different sub-branches of the field which all share the same goal of addressing the key questions on nanoscale superconductors. References [1]Croitoru M D, Vagov A, Shanenko A A and Axt V M 2012 The Cooper problem in nanoscale: enhancement of the coupling due to confinement Supercond. Sci. Technol. 25 124001 [2]Perali A, Innocenti A, Valletta A and Bianconi A 2012 Anomalous isotope effect near a 2.5 Lifshitz transition in a multi-band multi-condensate superconductor made of a superlattice of stripes Supercond. Sci. Technol. 25 124002 [3]Zeng S W, Huang Z, Wang X, Lü W M, Liu Z Q, Zhang B M, Dhar S, Venkatesan T and Ariando 2012 The influence of La substitution and oxygen reduction in ambipolar La-doped YBa2Cu3Oy thin films Supercond. Sci. Technol. 25 124003 [4]Poccia N, Bianconi A, Campi G, Fratini M and Ricci A 2012 Size evolution of the oxygen interstitial nanowires in La2CuO4+y by thermal treatments and x-ray continuous illumination Supercond. Sci. Technol. 25 124004 [5]Yang Y, Fedorov G, Zhang J, Tselev A, Shafranjuk S and Barbara P 2012 The search for superconductivity at van Hove singularities in carbon nanotubes Supercond. Sci. Technol. 25 124005 [6]Gomez

  7. Evaluating cold, wind, and moisture protection of different coverings for prehospital maritime transportation-a thermal manikin and human study.

    PubMed

    Jussila, Kirsi; Rissanen, Sirkka; Parkkola, Kai; Anttonen Hannu

    2014-12-01

    Prehospital maritime transportation in northern areas sets high demands on hypothermia prevention. To prevent body cooling and hypothermia of seriously-ill or injured casualties during transportation, casualty coverings must provide adequate thermal insulation and protection against cold, wind, moisture, and water splashes. The aim of this study was to determine the thermal protective properties of different types of casualty coverings and to evaluate which would be adequate for use under difficult maritime conditions (cold, high wind speed, and water splashes). In addition, the study evaluated the need for thermal protection of a casualty and verified the optimum system for maritime casualty transportation. The study consisted of two parts: (1) the definition and comparison of the thermal protective properties of different casualty coverings in a laboratory; and (2) the evaluation of the chosen optimum protective covering for maritime prehospital transportation. The thermal insulations of ten different casualty coverings were measured according to the European standard for sleeping bags (EN 13537) using a thermal manikin in a climate chamber (-5°C) with wind speeds of 0.3 m/s and 4.0 m/s, and during moisture simulations. The second phase consisted of measurements of skin and core temperatures, air temperature, and relative humidity inside the clothing of four male test subjects during authentic maritime prehospital transportation in a partially-covered motor boat. Wind (4 m/s) decreased the total thermal insulation of coverings by 11%-45%. The decrement of thermal insulation due to the added moisture inside the coverings was the lowest (approximately 22%-29%) when a waterproof reflective sheet inside blankets or bubble wrap was used, whereas vapor-tight rescue bags and bubble wrap provide the most protection against external water splashes. During authentic maritime transportation lasting 30 minutes, mean skin temperature decreased on average by 0.5°C when a

  8. Thermal transport phenomena in nanoparticle suspensions

    NASA Astrophysics Data System (ADS)

    Cardellini, Annalisa; Fasano, Matteo; Bozorg Bigdeli, Masoud; Chiavazzo, Eliodoro; Asinari, Pietro

    2016-12-01

    Nanoparticle suspensions in liquids have received great attention, as they may offer an approach to enhance thermophysical properties of base fluids. A good variety of applications in engineering and biomedicine has been investigated with the aim of exploiting the above potential. However, the multiscale nature of nanosuspensions raises several issues in defining a comprehensive modelling framework, incorporating relevant molecular details and much larger scale phenomena, such as particle aggregation and their dynamics. The objectives of the present topical review is to report and discuss the main heat and mass transport phenomena ruling macroscopic behaviour of nanosuspensions, arising from molecular details. Relevant experimental results are included and properly put in the context of recent observations and theoretical studies, which solved long-standing debates about thermophysical properties enhancement. Major transport phenomena are discussed and in-depth analysis is carried out for highlighting the role of geometrical (nanoparticle shape, size, aggregation, concentration), chemical (pH, surfactants, functionalization) and physical parameters (temperature, density). We finally overview several computational techniques available at different scales with the aim of drawing the attention on the need for truly multiscale predictive models. This may help the development of next-generation nanoparticle suspensions and their rational use in thermal applications.

  9. Center for Nanoscale Science and Technology

    National Institute of Standards and Technology Data Gateway

    NIST Center for Nanoscale Science and Technology (Program website, free access)   Currently there is no database matching your keyword search, but the NIST Center for Nanoscale Science and Technology website may be of interest. The Center for Nanoscale Science and Technology enables science and industry by providing essential measurement methods, instrumentation, and standards to support all phases of nanotechnology development, from discovery to production.

  10. Microscale transport and sorting by kinesin molecular motors.

    PubMed

    Jia, Lili; Moorjani, Samira G; Jackson, Thomas N; Hancock, William O

    2004-03-01

    As biomolecular detection systems shrink in size, there is an increasing demand for systems that transport and position materials at micron- and nanoscale dimensions. Our goal is to combine cellular transport machinery-kinesin molecular motors and microtubules-with integrated optoelectronics into a hybrid biological/engineered microdevice that will bind, transport, and detect specific proteins, DNA/RNA molecules, viruses, or cells. For microscale transport, 1.5 microm deep channels were created with SU-8 photoresist on glass, kinesin motors adsorbed to the bottom of the channels, and the channel walls used to bend and redirect microtubules moving over the immobilized motors. Novel channel geometries were investigated as a means to redirect and sort microtubules moving in these channels. We show that DC and AC electric fields are sufficient to transport microtubules in solution, establishing an approach for redirecting microtubules moving in channels. Finally, we inverted the geometry to demonstrate that kinesins can transport gold nanowires along surface immobilized microtubules, providing a model for nanoscale directed assembly.

  11. Polymer/boron nitride nanocomposite materials for superior thermal transport performance.

    PubMed

    Song, Wei-Li; Wang, Ping; Cao, Li; Anderson, Ankoma; Meziani, Mohammed J; Farr, Andrew J; Sun, Ya-Ping

    2012-06-25

    Boron nitride nanosheets were dispersed in polymers to give composite films with excellent thermal transport performances approaching the record values found in polymer/graphene nanocomposites. Similarly high performance at lower BN loadings was achieved by aligning the nanosheets in poly(vinyl alcohol) matrix by simple mechanical stretching (see picture). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Nanoscale Silicon as a Catalyst for Graphene Growth: Mechanistic Insight from in Situ Raman Spectroscopy

    DOE PAGES

    Share, Keith; Carter, Rachel E.; Nikolaev, Pavel; ...

    2016-06-08

    Nanoscale carbons are typically synthesized by thermal decomposition of a hydrocarbon at the surface of a metal catalyst. Whereas the use of silicon as an alternative to metal catalysts could unlock new techniques to seamlessly couple carbon nanostructures and semiconductor materials, stable carbide formation renders bulk silicon incapable of the precipitation and growth of graphitic structures. In this article, we provide evidence supported by comprehensive in situ Raman experiments that indicates nanoscale grains of silicon in porous silicon (PSi) scaffolds act as catalysts for hydrocarbon decomposition and growth of few-layered graphene at temperatures as low as 700 K. Self-limiting growthmore » kinetics of graphene with activation energies measured between 0.32–0.37 eV elucidates the formation of highly reactive surface-bound Si radicals that aid in the decomposition of hydrocarbons. Nucleation and growth of graphitic layers on PSi exhibits striking similarity to catalytic growth on nickel surfaces, involving temperature dependent surface and subsurface diffusion of carbon. Lastly, this work elucidates how the nanoscale properties of silicon can be exploited to yield catalytic properties distinguished from bulk silicon, opening an important avenue to engineer catalytic interfaces combining the two most technologically important materials for modern applications—silicon and nanoscale carbons.« less

  13. Fast Ion and Thermal Plasma Transport in Turbulent Waves in the Large Plasma Device (LAPD)

    NASA Astrophysics Data System (ADS)

    Zhou, Shu

    2011-10-01

    The transport of fast ions and thermal plasmas in electrostatic microturbulence is studied. Strong density and potential fluctuations (δn / n ~ δϕ / kTe ~ 0 . 5 , f ~5-50 kHz) are observed in the LAPD in density gradient regions produced by obstacles with slab or cylindrical geometry. Wave characteristics and the associated plasma transport are modified by driving sheared E ×B drift through biasing the obstacle, and by modification of the axial magnetic fields (Bz) and the plasma species. Cross-field plasma transport is suppressed with small bias and large Bz, and is enhanced with large bias and small Bz. Suppressed cross-field thermal transport coincides with a 180° phase shift between the density and potential fluctuations in the radial direction, while the enhanced thermal transport is associated with modes having low mode number (m = 1) and long radial correlation length. Large gyroradius lithium ions (ρfast /ρs ~ 10) orbit through the turbulent region. Scans with a collimated analyzer and with Langmuir probes give detailed profiles of the fast ion spatial-temporal distribution and of the fluctuating fields. Fast-ion transport decreases rapidly with increasing fast-ion gyroradius. Background waves with different scale lengths also alter the fast ion transport: Beam diffusion is smaller in waves with smaller structures (higher mode number); also, coherent waves with long correlation length cause less beam diffusion than turbulent waves. Experimental results agree well with gyro-averaging theory. When the fast ion interacts with the wave for most of a wave period, a transition from super-diffusive to sub-diffusive transport is observed, as predicted by diffusion theory. A Monte Carlo trajectory-following code simulates the interaction of the fast ions with the measured turbulent fields. Good agreement between observation and modeling is observed. Work funded by DOE and NSF and performed at the Basic Plasma Science Facility.

  14. FDTD based model of ISOCT imaging for validation of nanoscale sensitivity (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Eid, Aya; Zhang, Di; Yi, Ji; Backman, Vadim

    2017-02-01

    Many of the earliest structural changes associated with neoplasia occur on the micro and nanometer scale, and thus appear histologically normal. Our group has established Inverse Spectroscopic OCT (ISOCT), a spectral based technique to extract nanoscale sensitive metrics derived from the OCT signal. Thus, there is a need to model light transport through relatively large volumes (< 50 um^3) of media with nanoscale level resolution. Finite Difference Time Domain (FDTD) is an iterative approach which directly solves Maxwell's equations to robustly estimate the electric and magnetic fields propagating through a sample. The sample's refractive index for every spatial voxel and wavelength are specified upon a grid with voxel sizes on the order of λ/20, making it an ideal modelling technique for nanoscale structure analysis. Here, we utilize the FDTD technique to validate the nanoscale sensing ability of ISOCT. The use of FDTD for OCT modelling requires three components: calculating the source beam as it propagates through the optical system, computing the sample's scattered field using FDTD, and finally propagating the scattered field back through the optical system. The principles of Fourier optics are employed to focus this interference field through a 4f optical system and onto the detector. Three-dimensional numerical samples are generated from a given refractive index correlation function with known parameters, and subsequent OCT images and mass density correlation function metrics are computed. We show that while the resolvability of the OCT image remains diffraction limited, spectral analysis allows nanoscale sensitive metrics to be extracted.

  15. Transport spectroscopy of coupled donors in silicon nano-transistors

    PubMed Central

    Moraru, Daniel; Samanta, Arup; Anh, Le The; Mizuno, Takeshi; Mizuta, Hiroshi; Tabe, Michiharu

    2014-01-01

    The impact of dopant atoms in transistor functionality has significantly changed over the past few decades. In downscaled transistors, discrete dopants with uncontrolled positions and number induce fluctuations in device operation. On the other hand, by gaining access to tunneling through individual dopants, a new type of devices is developed: dopant-atom-based transistors. So far, most studies report transport through dopants randomly located in the channel. However, for practical applications, it is critical to control the location of the donors with simple techniques. Here, we fabricate silicon transistors with selectively nanoscale-doped channels using nano-lithography and thermal-diffusion doping processes. Coupled phosphorus donors form a quantum dot with the ground state split into a number of levels practically equal to the number of coupled donors, when the number of donors is small. Tunneling-transport spectroscopy reveals fine features which can be correlated with the different numbers of donors inside the quantum dot, as also suggested by first-principles simulation results. PMID:25164032

  16. Nanoscale Titanium Dioxide (nTiO2) Transport in Water-Saturated Natural Sediments: Influence of Soil Organic Matter and Fe/Al Oxyhydroxides

    NASA Astrophysics Data System (ADS)

    Fisher-Power, L.; Cheng, T.

    2017-12-01

    Transport of engineered nanoparticles (ENP) in subsurface environments has important implications to water quality and soil contamination. Although extensive research has been conducted to understand the effects of water chemistry on ENP transport, less attention has been paid to influences from the transport medium/matrix. The objective of this research is to investigate the effects of natural organic matter (NOM) and Fe/Al oxyhydroxides in a natural sediment on ENP transport. A sediment was collected and separated into four portions, one of which was unmodified, and the others treated to remove specific components (organic matter, Fe/Al oxyhydroxides, or both organic matter and Fe/Al oxyhydroxides). Transport of nanoscale titanium dioxide (nTiO2) in columns packed with quartz sand and each of the four types of the sediment under water-saturated conditions was studied. Our results showed that nTiO2 transport was strongly influenced by pH and sediment composition. When influent pH = 5, nTiO2 transport in all the sediments was low, as positively-charged nTiO2 was attracted to negatively charged NOM, quartz, and other minerals. nTiO2 transport was slightly enhanced in columns packed with untreated sediment or Fe/Al oxyhydroxides removed sediment due to dissolved organic matter generated by the partial dissolution of NOM, which adsorbed onto nTiO2 surface and reversed its zeta potential to negative. When influent pH = 9, nTiO2 transport was generally high since negatively-charged nTiO2 was repelled by negatively charged transport medium. However, in columns packed with the organic matter removed sediment or the Fe/Al oxyhydroxides removed sediment, nTiO2 transport was low. This was attributable to pH buffering by the sediment, which decreased pore water pH in the column, resulting in zeta potential change and electrostatic attraction between Fe/Al oxyhydroxides and nTiO2. This research demonstrates that electrostatic forces between nTiO2 and mineral/organic components

  17. Quantitative measurements of nanoscale permittivity and conductivity using tuning-fork-based microwave impedance microscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Xiaoyu; Hao, Zhenqi; Wu, Di

    Here, we report quantitative measurements of nanoscale permittivity and conductivity using tuning-fork (TF) based microwave impedance microscopy (MIM). The system is operated under the driving amplitude modulation mode, which ensures satisfactory feedback stability on samples with rough surfaces. The demodulated MIM signals on a series of bulk dielectrics are in good agreement with results simulated by finite-element analysis. Using the TF-MIM, we have visualized the evolution of nanoscale conductance on back-gated MoS 2 field effect transistors, and the results are consistent with the transport data. Our work suggests that quantitative analysis of mesoscopic electrical properties can be achieved by near-fieldmore » microwave imaging with small distance modulation.« less

  18. Quantitative measurements of nanoscale permittivity and conductivity using tuning-fork-based microwave impedance microscopy

    DOE PAGES

    Wu, Xiaoyu; Hao, Zhenqi; Wu, Di; ...

    2018-04-01

    Here, we report quantitative measurements of nanoscale permittivity and conductivity using tuning-fork (TF) based microwave impedance microscopy (MIM). The system is operated under the driving amplitude modulation mode, which ensures satisfactory feedback stability on samples with rough surfaces. The demodulated MIM signals on a series of bulk dielectrics are in good agreement with results simulated by finite-element analysis. Using the TF-MIM, we have visualized the evolution of nanoscale conductance on back-gated MoS 2 field effect transistors, and the results are consistent with the transport data. Our work suggests that quantitative analysis of mesoscopic electrical properties can be achieved by near-fieldmore » microwave imaging with small distance modulation.« less

  19. ICF target 2D modeling using Monte Carlo SNB electron thermal transport in DRACO

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2016-10-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup diffusion electron thermal transport method is adapted into a Monte Carlo (MC) transport method to better model angular and long mean free path non-local effects. The MC model was first implemented in the 1D LILAC code to verify consistency with the iSNB model. Implementation of the MC SNB model in the 2D DRACO code enables higher fidelity non-local thermal transport modeling in 2D implosions such as polar drive experiments on NIF. The final step is to optimize the MC model by hybridizing it with a MC version of the iSNB diffusion method. The hybrid method will combine the efficiency of a diffusion method in intermediate mean free path regions with the accuracy of a transport method in long mean free path regions allowing for improved computational efficiency while maintaining accuracy. Work to date on the method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  20. Millisecond ordering of block-copolymer films via photo-thermal gradients

    DOE PAGES

    Majewski, Pawel W.; Yager, Kevin G.

    2015-03-12

    For the promise of self-assembly to be realized, processing techniques must be developed that simultaneously enable control of the nanoscale morphology, rapid assembly, and, ideally, the ability to pattern the nanostructure. Here, we demonstrate how photo-thermal gradients can be used to control the ordering of block-copolymer thin films. Highly localized laser heating leads to intense thermal gradients, which induce a thermophoretic force on morphological defects. This increases the ordering kinetics by at least 3 orders-of-magnitude, compared to conventional oven annealing. By simultaneously exploiting the thermal gradients to induce shear fields, we demonstrate uniaxial alignment of a block-copolymer film in lessmore » than a second. Finally, we provide examples of how control of the incident light-field can be used to generate prescribed configurations of block-copolymer nanoscale patterns.« less

  1. Controlling heat transport and flow structures in thermal turbulence using ratchet surfaces

    NASA Astrophysics Data System (ADS)

    Sun, Chao; Jiang, Hechuan; Zhu, Xiaojue; Mathai, Varghese; Verzicco, Roberto; Lohse, Detlef

    2017-11-01

    In this combined experimental and numerical study on thermally driven turbulence in a rectangular cell, the global heat transport and the coherent flow structures are controlled with an asymmetric ratchet-like roughness on the top and bottom plates. We show that, by means of symmetry breaking due to the presence of the ratchet structures on the conducting plates, the orientation of the Large Scale Circulation Roll (LSCR) can be locked to a preferred direction even when the cell is perfectly leveled out. By introducing a small tilt to the system, we show that the LSCR orientation can be tuned and controlled. The two different orientations of LSCR give two quite different heat transport efficiencies, indicating that heat transport is sensitive to the LSCR direction over the asymmetric roughness structure. Through analysis of the dynamics of thermal plume emissions and the orientation of the LSCR over the asymmetric structure, we provide a physical explanation for these findings. This work is financially supported by the Natural Science Foundation of China under Grant No. 11672156, the Dutch Foundation for Fundamental Research on Matter (FOM), the Dutch Technology Foundation (STW) and a VIDI Grant.

  2. High-speed nanoscale characterization of dewetting via dynamic transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Hihath, Sahar; Santala, Melissa K.; Campbell, Geoffrey; van Benthem, Klaus

    2016-08-01

    The dewetting of thin films can occur in either the solid or the liquid state for which different mass transport mechanisms are expected to control morphological changes. Traditionally, dewetting dynamics have been examined on time scales between several seconds to hours, and length scales ranging between nanometers and millimeters. The determination of mass transport mechanisms on the nanoscale, however, requires nanoscale spatial resolution and much shorter time scales. This study reports the high-speed observation of dewetting phenomena for kinetically constrained Ni thin films on crystalline SrTiO3 substrates. Movie-mode Dynamic Transmission Electron Microscopy (DTEM) was used for high-speed image acquisition during thin film dewetting at different temperatures. DTEM imaging confirmed that the initial stages of film agglomeration include edge retraction, hole formation, and growth. Finite element modeling was used to simulate temperature distributions within the DTEM samples after laser irradiation with different energies. For pulsed laser irradiation at 18 μJ, experimentally observed hole growth suggests that Marangoni flow dominates hole formation in the liquid nickel film. After irradiation with 13.8 μJ, however, the observations suggest that dewetting was initiated by nucleation of voids followed by hole growth through solid-state surface diffusion.

  3. High-speed nanoscale characterization of dewetting via dynamic transmission electron microscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hihath, Sahar; Department of Physics, University of California, Davis, 1 Shields Ave., Davis, California 95616; Santala, Melissa K.

    The dewetting of thin films can occur in either the solid or the liquid state for which different mass transport mechanisms are expected to control morphological changes. Traditionally, dewetting dynamics have been examined on time scales between several seconds to hours, and length scales ranging between nanometers and millimeters. The determination of mass transport mechanisms on the nanoscale, however, requires nanoscale spatial resolution and much shorter time scales. This study reports the high-speed observation of dewetting phenomena for kinetically constrained Ni thin films on crystalline SrTiO{sub 3} substrates. Movie-mode Dynamic Transmission Electron Microscopy (DTEM) was used for high-speed image acquisitionmore » during thin film dewetting at different temperatures. DTEM imaging confirmed that the initial stages of film agglomeration include edge retraction, hole formation, and growth. Finite element modeling was used to simulate temperature distributions within the DTEM samples after laser irradiation with different energies. For pulsed laser irradiation at 18 μJ, experimentally observed hole growth suggests that Marangoni flow dominates hole formation in the liquid nickel film. After irradiation with 13.8 μJ, however, the observations suggest that dewetting was initiated by nucleation of voids followed by hole growth through solid-state surface diffusion.« less

  4. Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations

    NASA Astrophysics Data System (ADS)

    Hu, Lin; Wirth, Brian D.; Maroudas, Dimitrios

    2017-08-01

    We report results on the lattice thermal conductivities of tungsten single crystals containing nanoscale-sized pores or voids and helium (He) nanobubbles as a function of void/bubble size and gas pressure in the He bubbles based on molecular-dynamics simulations. For reference, we calculated lattice thermal conductivities of perfect tungsten single crystals along different crystallographic directions at room temperature and found them to be about 10% of the overall thermal conductivity of tungsten with a weak dependence on the heat flux direction. The presence of nanoscale voids in the crystal causes a significant reduction in its lattice thermal conductivity, which decreases with increasing void size. Filling the voids with He to form He nanobubbles and increasing the bubble pressure leads to further significant reduction of the tungsten lattice thermal conductivity, down to ˜20% of that of the perfect crystal. The anisotropy in heat conduction remains weak for tungsten single crystals containing nanoscale-sized voids and He nanobubbles throughout the pressure range examined. Analysis of the pressure and atomic displacement fields in the crystalline region that surrounds the He nanobubbles reveals that the significant reduction of tungsten lattice thermal conductivity in this region is due to phonon scattering from the nanobubbles, as well as lattice deformation around the nanobubbles and formation of lattice imperfections at higher bubble pressure.

  5. Manipulation of heat-diffusion channel in laser thermal lithography.

    PubMed

    Wei, Jingsong; Wang, Yang; Wu, Yiqun

    2014-12-29

    Laser thermal lithography is a good alternative method for forming small pattern feature size by taking advantage of the structural-change threshold effect of thermal lithography materials. In this work, the heat-diffusion channels of laser thermal lithography are first analyzed, and then we propose to manipulate the heat-diffusion channels by inserting thermal conduction layers in between channels. Heat-flow direction can be changed from the in-plane to the out-of-plane of the thermal lithography layer, which causes the size of the structural-change threshold region to become much smaller than the focused laser spot itself; thus, nanoscale marks can be obtained. Samples designated as "glass substrate/thermal conduction layer/thermal lithography layer (100 nm)/thermal conduction layer" are designed and prepared. Chalcogenide phase-change materials are used as thermal lithography layer, and Si is used as thermal conduction layer to manipulate heat-diffusion channels. Laser thermal lithography experiments are conducted on a home-made high-speed rotation direct laser writing setup with 488 nm laser wavelength and 0.90 numerical aperture of converging lens. The writing marks with 50-60 nm size are successfully obtained. The mark size is only about 1/13 of the focused laser spot, which is far smaller than that of the light diffraction limit spot of the direct laser writing setup. This work is useful for nanoscale fabrication and lithography by exploiting the far-field focusing light system.

  6. Impact of defects on the electrical transport, optical properties and failure mechanisms of GaN nanowires.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Armstrong, Andrew M.; Aubry, Sylvie; Shaner, Eric Arthur

    2010-09-01

    We present the results of a three year LDRD project that focused on understanding the impact of defects on the electrical, optical and thermal properties of GaN-based nanowires (NWs). We describe the development and application of a host of experimental techniques to quantify and understand the physics of defects and thermal transport in GaN NWs. We also present the development of analytical models and computational studies of thermal conductivity in GaN NWs. Finally, we present an atomistic model for GaN NW electrical breakdown supported with experimental evidence. GaN-based nanowires are attractive for applications requiring compact, high-current density devices such asmore » ultraviolet laser arrays. Understanding GaN nanowire failure at high-current density is crucial to developing nanowire (NW) devices. Nanowire device failure is likely more complex than thin film due to the prominence of surface effects and enhanced interaction among point defects. Understanding the impact of surfaces and point defects on nanowire thermal and electrical transport is the first step toward rational control and mitigation of device failure mechanisms. However, investigating defects in GaN NWs is extremely challenging because conventional defect spectroscopy techniques are unsuitable for wide-bandgap nanostructures. To understand NW breakdown, the influence of pre-existing and emergent defects during high current stress on NW properties will be investigated. Acute sensitivity of NW thermal conductivity to point-defect density is expected due to the lack of threading dislocation (TD) gettering sites, and enhanced phonon-surface scattering further inhibits thermal transport. Excess defect creation during Joule heating could further degrade thermal conductivity, producing a viscous cycle culminating in catastrophic breakdown. To investigate these issues, a unique combination of electron microscopy, scanning luminescence and photoconductivity implemented at the nanoscale will be

  7. Magnetic field dependence of spin torque switching in nanoscale magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Yang, Liu; Rowlands, Graham; Katine, Jordan; Langer, Juergen; Krivorotov, Ilya

    2012-02-01

    Magnetic random access memory based on spin transfer torque effect in nanoscale magnetic tunnel junctions (STT-RAM) is emerging as a promising candidate for embedded and stand-alone computer memory. An important performance parameter of STT-RAM is stability of its free magnetic layer against thermal fluctuations. Measurements of the free layer switching probability as a function of sub-critical voltage at zero effective magnetic field (read disturb rate or RDR measurements) have been proposed as a method for quantitative evaluation of the free layer thermal stability at zero voltage. In this presentation, we report RDR measurement as a function of external magnetic field, which provide a test of the RDR method self-consistency and reliability.

  8. Nanoscale potentiometry.

    PubMed

    Bakker, Eric; Pretsch, Ernö

    2008-01-01

    Potentiometric sensors share unique characteristics that set them apart from other electrochemical sensors. Potentiometric nanoelectrodes have been reported and successfully used for many decades, and we review these developments. Current research chiefly focuses on nanoscale films at the outer or the inner side of the membrane, with outer layers for increasing biocompatibility, expanding the sensor response, or improving the limit of detection (LOD). Inner layers are mainly used for stabilizing the response and eliminating inner aqueous contacts or undesired nanoscale layers of water. We also discuss the ultimate detectability of ions with such sensors and the power of coupling the ultra-low LODs of ion-selective electrodes with nanoparticle labels to give attractive bioassays that can compete with state-of-the-art electrochemical detection.

  9. Engineering nanoscale surface features to sustain microparticle rolling in flow.

    PubMed

    Kalasin, Surachate; Santore, Maria M

    2015-05-26

    Nanoscopic features of channel walls are often engineered to facilitate microfluidic transport, for instance when surface charge enables electro-osmosis or when grooves drive mixing. The dynamic or rolling adhesion of flowing microparticles on a channel wall holds potential to accomplish particle sorting or to selectively transfer reactive species or signals between the wall and flowing particles. Inspired by cell rolling under the direction of adhesion molecules called selectins, we present an engineered platform in which the rolling of flowing microparticles is sustained through the incorporation of entirely synthetic, discrete, nanoscale, attractive features into the nonadhesive (electrostatically repulsive) surface of a flow channel. Focusing on one example or type of nanoscale feature and probing the impact of broad systematic variations in surface feature loading and processing parameters, this study demonstrates how relatively flat, weakly adhesive nanoscale features, positioned with average spacings on the order of tens of nanometers, can produce sustained microparticle rolling. We further demonstrate how the rolling velocity and travel distance depend on flow and surface design. We identify classes of related surfaces that fail to support rolling and present a state space that identifies combinations of surface and processing variables corresponding to transitions between rolling, free particle motion, and arrest. Finally we identify combinations of parameters (surface length scales, particle size, flow rates) where particles can be manipulated with size-selectivity.

  10. Heat transfer across the interface between nanoscale solids and gas.

    PubMed

    Cheng, Chun; Fan, Wen; Cao, Jinbo; Ryu, Sang-Gil; Ji, Jie; Grigoropoulos, Costas P; Wu, Junqiao

    2011-12-27

    When solid materials and devices scale down in size, heat transfer from the active region to the gas environment becomes increasingly significant. We show that the heat transfer coefficient across the solid-gas interface behaves very differently when the size of the solid is reduced to the nanoscale, such as that of a single nanowire. Unlike for macroscopic solids, the coefficient is strongly pressure dependent above ∼10 Torr, and at lower pressures it is much higher than predictions of the kinetic gas theory. The heat transfer coefficient was measured between a single, free-standing VO(2) nanowire and surrounding air using laser thermography, where the temperature distribution along the VO(2) nanowire was determined by imaging its domain structure of metal-insulator phase transition. The one-dimensional domain structure along the nanowire results from the balance between heat generation by the focused laser and heat dissipation to the substrate as well as to the surrounding gas, and thus serves as a nanoscale power-meter and thermometer. We quantified the heat loss rate across the nanowire-air interface, and found that it dominates over all other heat dissipation channels for small-diameter nanowires near ambient pressure. As the heat transfer across the solid-gas interface is nearly independent of the chemical identity of the solid, the results reveal a general scaling relationship for gaseous heat dissipation from nanostructures of all solid materials, which is applicable to nanoscale electronic and thermal devices exposed to gaseous environments.

  11. Nanomaterial Case Study: Nanoscale Silver in Disinfectant ...

    EPA Pesticide Factsheets

    EPA announced the release of the final report, Nanomaterial Case Study: Nanoscale Silver in Disinfectant Spray. This report represents a case study of engineered nanoscale silver (nano-Ag), focusing on the specific example of nano-Ag as possibly used in disinfectant sprays. This case study is organized around the comprehensive environmental assessment (CEA) framework, which structures available information pertaining to the product life cycle, environmental transport and fate, exposure-dose in receptors (i.e., humans, ecological populations, and the environment), and potential impacts in these receptors. The document does not draw conclusions about potential risks. Instead, it is intended to be used as part of a process to identify what is known and unknown about nano-Ag in a selected application. In turn, the external review draft of the document provided a starting point to identify and prioritize possible research directions to support future assessments of nanomaterials. The information presented in the case study and the questions raised in this document are a foundation for a process to determine priorities among various research topics and directions. After that process has been completed, a final chapter will be added to this document to summarize highlights from preceding chapters and the major research issues that have emerged.

  12. Reverse Non-Equilibrium Molecular Dynamics Demonstrate That Surface Passivation Controls Thermal Transport at Semiconductor-Solvent Interfaces.

    PubMed

    Hannah, Daniel C; Gezelter, J Daniel; Schaller, Richard D; Schatz, George C

    2015-06-23

    We examine the role played by surface structure and passivation in thermal transport at semiconductor/organic interfaces. Such interfaces dominate thermal transport in semiconductor nanomaterials owing to material dimensions much smaller than the bulk phonon mean free path. Utilizing reverse nonequilibrium molecular dynamics simulations, we calculate the interfacial thermal conductance (G) between a hexane solvent and chemically passivated wurtzite CdSe surfaces. In particular, we examine the dependence of G on the CdSe slab thickness, the particular exposed crystal facet, and the extent of surface passivation. Our results indicate a nonmonotonic dependence of G on ligand-grafting density, with interfaces generally exhibiting higher thermal conductance for increasing surface coverage up to ∼0.08 ligands/Å(2) (75-100% of a monolayer, depending on the particular exposed facet) and decreasing for still higher coverages. By analyzing orientational ordering and solvent penetration into the ligand layer, we show that a balance of competing effects is responsible for this nonmonotonic dependence. Although the various unpassivated CdSe surfaces exhibit similar G values, the crystal structure of an exposed facet nevertheless plays an important role in determining the interfacial thermal conductance of passivated surfaces, as the density of binding sites on a surface determines the ligand-grafting densities that may ultimately be achieved. We demonstrate that surface passivation can increase G relative to a bare surface by roughly 1 order of magnitude and that, for a given extent of passivation, thermal conductance can vary by up to a factor of ∼2 between different surfaces, suggesting that appropriately tailored nanostructures may direct heat flow in an anisotropic fashion for interface-limited thermal transport.

  13. Observing golden-mean universality class in the scaling of thermal transport.

    PubMed

    Xiong, Daxing

    2018-02-01

    We address the issue of whether the golden-mean [ψ=(sqrt[5]+1)/2≃1.618] universality class, as predicted by several theoretical models, can be observed in the dynamical scaling of thermal transport. Remarkably, we show strong evidence that ψ appears to be the scaling exponent of heat mode correlation in a purely quartic anharmonic chain. This observation seems to somewhat deviate from the previous expectation and we explain it by the unusual slow decay of the cross correlation between heat and sound modes. Whenever the cubic anharmonicity is included, this cross correlation gradually dies out and another universality class with scaling exponent γ=5/3, as commonly predicted by theories, seems recovered. However, this recovery is accompanied by two interesting phase transition processes characterized by a change of symmetry of the potential and a clear variation of the dynamic structure factor, respectively. Due to these transitions, an additional exponent close to γ≃1.580 emerges. All this evidence suggests that, to gain a full prediction of the scaling of thermal transport, more ingredients should be taken into account.

  14. Observing golden-mean universality class in the scaling of thermal transport

    NASA Astrophysics Data System (ADS)

    Xiong, Daxing

    2018-02-01

    We address the issue of whether the golden-mean [ψ =(√{5 }+1 ) /2 ≃1.618 ] universality class, as predicted by several theoretical models, can be observed in the dynamical scaling of thermal transport. Remarkably, we show strong evidence that ψ appears to be the scaling exponent of heat mode correlation in a purely quartic anharmonic chain. This observation seems to somewhat deviate from the previous expectation and we explain it by the unusual slow decay of the cross correlation between heat and sound modes. Whenever the cubic anharmonicity is included, this cross correlation gradually dies out and another universality class with scaling exponent γ =5 /3 , as commonly predicted by theories, seems recovered. However, this recovery is accompanied by two interesting phase transition processes characterized by a change of symmetry of the potential and a clear variation of the dynamic structure factor, respectively. Due to these transitions, an additional exponent close to γ ≃1.580 emerges. All this evidence suggests that, to gain a full prediction of the scaling of thermal transport, more ingredients should be taken into account.

  15. Application of exergetic sustainability index to a nano-scale irreversible Brayton cycle operating with ideal Bose and Fermi gasses

    NASA Astrophysics Data System (ADS)

    Açıkkalp, Emin; Caner, Necmettin

    2015-09-01

    In this study, a nano-scale irreversible Brayton cycle operating with quantum gasses including Bose and Fermi gasses is researched. Developments in the nano-technology cause searching the nano-scale machines including thermal systems to be unavoidable. Thermodynamic analysis of a nano-scale irreversible Brayton cycle operating with Bose and Fermi gasses was performed (especially using exergetic sustainability index). In addition, thermodynamic analysis involving classical evaluation parameters such as work output, exergy output, entropy generation, energy and exergy efficiencies were conducted. Results are submitted numerically and finally some useful recommendations were conducted. Some important results are: entropy generation and exergetic sustainability index are affected mostly for Bose gas and power output and exergy output are affected mostly for the Fermi gas by x. At the high temperature conditions, work output and entropy generation have high values comparing with other degeneracy conditions.

  16. Analysis of nanoscale two-phase flow of argon using molecular dynamics

    NASA Astrophysics Data System (ADS)

    Verma, Abhishek Kumar; Kumar, Rakesh

    2014-12-01

    Two phase flows through micro and nanochannels have attracted a lot of attention because of their immense applicability to many advanced fields such as MEMS/NEMS, electronic cooling, bioengineering etc. In this work, a molecular dynamics simulation method is employed to study the condensation process of superheated argon vapor force driven flow through a nanochannel combining fluid flow and heat transfer. A simple and effective particle insertion method is proposed to model phase change of argon based on non-periodic boundary conditions in the simulation domain. Starting from a crystalline solid wall of channel, the condensation process evolves from a transient unsteady state where we study the influence of different wall temperatures and fluid wall interactions on interfacial and heat transport properties of two phase flows. Subsequently, we analyzed transient temperature, density and velocity fields across the channel and their dependency on varying wall temperature and fluid wall interaction, after a dynamic equilibrium is achieved in phase transition. Quasi-steady nonequilibrium temperature profile, heat flux and interfacial thermal resistance were analyzed. The results demonstrate that the molecular dynamics method, with the proposed particle insertion method, effectively solves unsteady nonequilibrium two phase flows at nanoscale resolutions whose interphase between liquid and vapor phase is typically of the order of a few molecular diameters.

  17. Can amorphization take place in nanoscale interconnects?

    PubMed

    Kumar, S; Joshi, K L; van Duin, A C T; Haque, M A

    2012-03-09

    The trend of miniaturization has highlighted the problems of heat dissipation and electromigration in nanoelectronic device interconnects, but not amorphization. While amorphization is known to be a high pressure and/or temperature phenomenon, we argue that defect density is the key factor, while temperature and pressure are only the means. For nanoscale interconnects carrying modest current density, large vacancy concentrations may be generated without the necessity of high temperature or pressure due to the large fraction of grain boundaries and triple points. To investigate this hypothesis, we performed in situ transmission electron microscope (TEM) experiments on 200 nm thick (80 nm average grain size) aluminum specimens. Electron diffraction patterns indicate partial amorphization at modest current density of about 10(5) A cm(-2), which is too low to trigger electromigration. Since amorphization results in drastic decrease in mechanical ductility as well as electrical and thermal conductivity, further increase in current density to about 7 × 10(5) A cm(-2) resulted in brittle fracture failure. Our molecular dynamics (MD) simulations predict the formation of amorphous regions in response to large mechanical stresses (due to nanoscale grain size) and excess vacancies at the cathode side of the thin films. The findings of this study suggest that amorphization can precede electromigration and thereby play a vital role in the reliability of micro/nanoelectronic devices.

  18. Current Transport Properties of Monolayer Graphene/n-Si Schottky Diodes

    NASA Astrophysics Data System (ADS)

    Pathak, C. S.; Garg, Manjari; Singh, J. P.; Singh, R.

    2018-05-01

    The present work reports on the fabrication and the detailed macroscopic and nanoscale electrical characteristics of monolayer graphene/n-Si Schottky diodes. The temperature dependent electrical transport properties of monolayer graphene/n-Si Schottky diodes were investigated. Nanoscale electrical characterizations were carried out using Kelvin probe force microscopy and conducting atomic force microscopy. Most the values of ideality factor and barrier height are found to be in the range of 2.0–4.4 and 0.50–0.70 eV for monolayer graphene/n-Si nanoscale Schottky contacts. The tunneling of electrons is found to be responsible for the high value of ideality factor for nanoscale Schottky contacts.

  19. Design process for applying the nonlocal thermal transport iSNB model to a Polar-Drive ICF simulation

    NASA Astrophysics Data System (ADS)

    Cao, Duc; Moses, Gregory; Delettrez, Jacques; Collins, Timothy

    2014-10-01

    A design process is presented for the nonlocal thermal transport iSNB (implicit Schurtz, Nicolai, and Busquet) model to provide reliable nonlocal thermal transport in polar-drive ICF simulations. Results from the iSNB model are known to be sensitive to changes in the SNB ``mean free path'' formula, and the latter's original form required modification to obtain realistic preheat levels. In the presented design process, SNB mean free paths are first modified until the model can match temperatures from Goncharov's thermal transport model in 1D temperature relaxation simulations. Afterwards the same mean free paths are tested in a 1D polar-drive surrogate simulation to match adiabats from Goncharov's model. After passing the two previous steps, the model can then be run in a full 2D polar-drive simulation. This research is supported by the University of Rochester Laboratory for Laser Energetics.

  20. Gas-pressure chemical vapor transport growth of millimeter-sized c-BAs single crystals with moderate thermal conductivity

    NASA Astrophysics Data System (ADS)

    Xing, Jie; Glaser, Evan R.; Song, Bai; Culbertson, James C.; Freitas, Jaime A.; Duncan, Ryan A.; Nelson, Keith A.; Chen, Gang; Ni, Ni

    2018-06-01

    We have grown c-BAs single crystals up to 1000 μm size by the chemical vapor transport (CVT) technique using combined As and I2 transport agents with the As:I ratio of 1:3 under gas pressures of up to 35 atm. Raman spectroscopy revealed a very sharp (˜2.4 cm-1) P1 phonon mode and an interesting splitting behavior of P1 from detailed polarization studies. Electron paramagnetic resonance (EPR) experiments revealed no evidence for EPR active growth-related defects under the experimental resolution. Finally, a moderate thermal conductivity value of ˜132 W/m-K was obtained using a transient thermal grating technique. These results suggest that although the high As gas vapor pressure environment in CVT growth can increase the transport rate of c-BAs significantly, it may not be efficient in reducing the defects and enhancing the thermal conductivity in c-BAs significantly.

  1. Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes.

    PubMed

    Wang, Rulin; Zhang, Yu; Bi, Fuzhen; Frauenheim, Thomas; Chen, GuanHua; Yam, ChiYung

    2016-07-21

    Understanding of the electroluminescence (EL) mechanism in optoelectronic devices is imperative for further optimization of their efficiency and effectiveness. Here, a quantum mechanical approach is formulated for modeling the EL processes in nanoscale light emitting diodes (LED). Based on non-equilibrium Green's function quantum transport equations, interactions with the electromagnetic vacuum environment are included to describe electrically driven light emission in the devices. The presented framework is illustrated by numerical simulations of a silicon nanowire LED device. EL spectra of the nanowire device under different bias voltages are obtained and, more importantly, the radiation pattern and polarization of optical emission can be determined using the current approach. This work is an important step forward towards atomistic quantum mechanical modeling of the electrically induced optical response in nanoscale systems.

  2. NANOSCALE BIOSENSORS IN ECOSYSTEM EXPOSURE RESEARCH

    EPA Science Inventory

    This powerpoint presentation presented information on nanoscale biosensors in ecosystem exposure research. The outline of the presentation is as follows: nanomaterials environmental exposure research; US agencies involved in nanosensor research; nanoscale LEDs in biosensors; nano...

  3. Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

    NASA Astrophysics Data System (ADS)

    Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

    2017-11-01

    We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe, and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving {κ }{InSe}< {κ }{GaSe}< {κ }{GaS}. This behavior is demonstrated by correlating the scattering phase space limited by fundamental conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, in InSe, GaSe and GaS thermal transport is governed by in-plane vibrations. Alloying of InSe, GaSe, and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ˜2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.

  4. Phonon cross-plane transport and thermal boundary resistance: effect of heat source size and thermal boundary resistance on phonon characteristics

    NASA Astrophysics Data System (ADS)

    Ali, H.; Yilbas, B. S.

    2016-09-01

    Phonon cross-plane transport across silicon and diamond thin films pair is considered, and thermal boundary resistance across the films pair interface is examined incorporating the cut-off mismatch and diffusive mismatch models. In the cut-off mismatch model, phonon frequency mismatch for each acoustic branch is incorporated across the interface of the silicon and diamond films pair in line with the dispersion relations of both films. The frequency-dependent and transient solution of the Boltzmann transport equation is presented, and the equilibrium phonon intensity ratios at the silicon and diamond film edges are predicted across the interface for each phonon acoustic branch. Temperature disturbance across the edges of the films pair is incorporated to assess the phonon transport characteristics due to cut-off and diffusive mismatch models across the interface. The effect of heat source size, which is allocated at high-temperature (301 K) edge of the silicon film, on the phonon transport characteristics at the films pair interface is also investigated. It is found that cut-off mismatch model predicts higher values of the thermal boundary resistance across the films pair interface as compared to that of the diffusive mismatch model. The ratio of equilibrium phonon intensity due to the cut-off mismatch over the diffusive mismatch models remains >1 at the silicon edge, while it becomes <1 at the diamond edge for all acoustic branches.

  5. A simple quantum mechanical treatment of scattering in nanoscale transistors

    NASA Astrophysics Data System (ADS)

    Venugopal, R.; Paulsson, M.; Goasguen, S.; Datta, S.; Lundstrom, M. S.

    2003-05-01

    We present a computationally efficient, two-dimensional quantum mechanical simulation scheme for modeling dissipative electron transport in thin body, fully depleted, n-channel, silicon-on-insulator transistors. The simulation scheme, which solves the nonequilibrium Green's function equations self consistently with Poisson's equation, treats the effect of scattering using a simple approximation inspired by the "Büttiker probes," often used in mesoscopic physics. It is based on an expansion of the active device Hamiltonian in decoupled mode space. Simulation results are used to highlight quantum effects, discuss the physics of scattering and to relate the quantum mechanical quantities used in our model to experimentally measured low field mobilities. Additionally, quantum boundary conditions are rigorously derived and the effects of strong off-equilibrium transport are examined. This paper shows that our approximate treatment of scattering, is an efficient and useful simulation method for modeling electron transport in nanoscale, silicon-on-insulator transistors.

  6. Molecular electronics: insight from first-principles transport simulations.

    PubMed

    Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

    2010-01-01

    Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affect the electronic transport. Here we describe key computational ingredients and discuss these in relation to simulations for scanning tunneling microscopy (STM) experiments with C60 molecules where the experimental geometry is well characterized. We then show how molecular dynamics simulations may be combined with transport calculations to study more irregular situations, such as the evolution of a nanoscale contact with the mechanically controllable break-junction technique. Finally we discuss calculations of inelastic electron tunnelling spectroscopy as a characterization technique that reveals information about the atomic arrangement and transport channels.

  7. Heavily Boron-Doped Silicon Layer for the Fabrication of Nanoscale Thermoelectric Devices

    PubMed Central

    Liu, Yang; Deng, Lingxiao; Zhang, Mingliang; Zhang, Shuyuan; Ma, Jing; Song, Peishuai; Liu, Qing; Ji, An; Yang, Fuhua; Wang, Xiaodong

    2018-01-01

    Heavily boron-doped silicon layers and boron etch-stop techniques have been widely used in the fabrication of microelectromechanical systems (MEMS). This paper provides an introduction to the fabrication process of nanoscale silicon thermoelectric devices. Low-dimensional structures such as silicon nanowire (SiNW) have been considered as a promising alternative for thermoelectric applications in order to achieve a higher thermoelectric figure of merit (ZT) than bulk silicon. Here, heavily boron-doped silicon layers and boron etch-stop processes for the fabrication of suspended SiNWs will be discussed in detail, including boron diffusion, electron beam lithography, inductively coupled plasma (ICP) etching and tetramethylammonium hydroxide (TMAH) etch-stop processes. A 7 μm long nanowire structure with a height of 280 nm and a width of 55 nm was achieved, indicating that the proposed technique is useful for nanoscale fabrication. Furthermore, a SiNW thermoelectric device has also been demonstrated, and its performance shows an obvious reduction in thermal conductivity. PMID:29385759

  8. Transient Mass and Thermal Transport during Methane Adsorption into the Metal-Organic Framework HKUST-1.

    PubMed

    Babaei, Hasan; McGaughey, Alan J H; Wilmer, Christopher E

    2018-01-24

    Methane adsorption into the metal-organic framework (MOF) HKUST-1 and the resulting heat generation and dissipation are investigated using molecular dynamics simulations. Transient simulations reveal that thermal transport in the MOF occurs two orders of magnitude faster than gas diffusion. A large thermal resistance at the MOF-gas interface (equivalent to 127 nm of bulk HKUST-1), however, prevents fast release of the generated heat. The mass transport resistance at the MOF-gas interface is equivalent to 1 nm of bulk HKUST-1 and does not present a bottleneck in the adsorption process. These results provide important insights into the application of MOFs for gas storage applications.

  9. Coherent Manipulation of Phonons at the Nanoscale

    NASA Astrophysics Data System (ADS)

    Yu, Shangjie; Ouyang, Min

    Phonons play a key role in almost every physical process, including for example dephasing phenomena of electronic quantum states, electric and heat transports. Therefore, understanding and even manipulating phonons represent a pre-requisite for tailoring phonons-mediated physical processes. In this talk, we will first present how to employ ultrafast optical spectroscopy to probe acoustic phonon modes in colloidal metallic nanoparticles. Furthermore, we have developed various phonon manipulation schemes that can be achieved by a train of optical pulses in time domain to allow selective control of phonon modes. Our theoretical modeling and simulation demonstrates an excellent agreement with experimental results, thus providing a future guideline on more complex phononic control at the nanoscale.

  10. Porous silver nanosheets: a novel sensing material for nanoscale and microscale airflow sensors

    NASA Astrophysics Data System (ADS)

    Marzbanrad, Ehsan; Zhao, Boxin; Zhou, Norman Y.

    2015-11-01

    Fabrication of nanoscale and microscale machines and devices is one of the goals of nanotechnology. For this purpose, different materials, methods, and devices should be developed. Among them, various types of miniaturized sensors are required to build the nanoscale and microscale systems. In this research, we introduce a new nanoscale sensing material, silver nanosheets, for applications such as nanoscale and microscale gas flow sensors. The silver nanosheets were synthesized through the reduction of silver ions by ascorbic acid in the presence of poly(methacrylic acid) as a capping agent, followed by the growth of silver in the shape of hexagonal and triangular nanoplates, and self-assembly and nanojoining of these structural blocks. At the end of this process, the synthesized nanosheets were floated on the solution. Then, their electrical and thermal stability was demonstrated at 120 °C, and their atmospheric corrosion resistance was clarified at the same temperature range by thermogravimetric analysis. We employed the silver nanosheets in fabricating airflow sensors by scooping out the nanosheets by means of a sensor substrate, drying them at room temperature, and then annealing them at 300 °C for one hour. The fabricated sensors were tested for their ability to measure airflow in the range of 1 to 5 ml min-1, which resulted in a linear response to the airflow with a response and recovery time around 2 s. Moreover, continuous dynamic testing demonstrated that the response of the sensors was stable and hence the sensors can be used for a long time without detectable drift in their response.

  11. The magnetic, electrical transport and thermal transport properties of Fe-based antipervoskite compounds ZnCxFe3

    NASA Astrophysics Data System (ADS)

    Lin, S.; Wang, B. S.; Lin, J. C.; Huang, Y. N.; Hu, X. B.; Lu, W. J.; Zhao, B. C.; Tong, P.; Song, W. H.; Sun, Y. P.

    2011-10-01

    The effects of carbon concentration on the crystal structure, magnetic, and electrical/thermal transport properties of ZnCxFe3 (1.0 ≤ x ≤ 1.5) have been investigated systematically. Both the Curie temperature and the saturated magnetization decrease firstly and then reach saturation with increasing x. The investigations of heat capacity and resistivity indicate that ZnC1.2Fe3 displays a strongly correlated Fermi liquid behavior considering its Kadowaki-Woods ratio (˜0.64 a0). Around the ferromagnetic-paramagnetic phase transition (˜358 K), a reversible room-temperature magnetocaloric effect is observed. The relative cooling power (RCP) is ˜164 J/kg (˜385 J/kg) with the magnetic field change ΔH = 20 kOe (45 kOe). Considering the considerable large RCP, inexpensive and innoxious raw materials, ZnC1.2Fe3 is suggested to be a promising candidate for room-temperature magnetic refrigeration. Furthermore, the studies of thermal transport properties indicate that ZnC1.2Fe3 can also be a potential thermoelectric material with the dimensionless figure of merit (ZT = α2T/ρk) reaching its maximum of 0.0112 around 170 K.

  12. Strain-modulated electronic and thermal transport properties of two-dimensional O-silica.

    PubMed

    Han, Yang; Qin, Guangzhao; Jungemann, Christoph; Hu, Ming

    2016-07-01

    Silica is one of the most abundant materials in the Earth's crust and is a remarkably versatile and important engineering material in various modern science and technology. Recently, freestanding and well-ordered two-dimensional (2D) silica monolayers with octahedral (O-silica) building blocks were found to be theoretically stable by (Wang G et al 2015 J. Phys. Chem. C 119 15654-60). In this paper, by performing first-principles calculations, we systematically investigated the electronic and thermal transport properties of 2D O-silica and also studied how these properties can be tuned by simple mechanical stretching. Unstrained 2D O-silica is an insulator with an indirect band gap of 6.536 eV. The band gap decreases considerably with bilateral strain up to 29%, at which point a semiconductor-metal transition occurs. More importantly, the in-plane thermal conductivity of freestanding 2D O-silica is found to be unusually high, which is around 40 to 50 times higher than that of bulk α-quartz and more than two orders of magnitude higher than that of amorphous silica. The thermal conductivity of O-silica decreases by almost two orders of magnitude when the bilateral stretching strain reaches 10%. By analyzing the mode-dependent phonon properties and phonon-scattering channel, the phonon lifetime is found to be the dominant factor that leads to the dramatic decrease of the lattice thermal conductivity under strain. The very sensitive response of both band gap and phonon transport properties to the external mechanical strain will enable 2D O-silica to easily adapt to the different environment of realistic applications. Our study is expected to stimulate experimental exploration of further physical and chemical properties of 2D silica systems, and offers perspectives on modulating the electronic and thermal properties of related low-dimensional structures for applications such as thermoelectric, photovoltaic, and optoelectronic devices.

  13. Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Youping

    This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such asmore » showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.« less

  14. Exact Thermal Transport Properties of Gray-Arsenic using Electon-Phonon Coupling

    NASA Astrophysics Data System (ADS)

    Kang, Seoung-Hun; Kwon, Young-Kyun

    Using various theoretical methods, we investigate the thermoelectric property of gray arsenic. Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy. The conversion efficiency of such a device is determined by its figure of merit or ZT value, which is related to various transport coefficients, such as Seebeck coefficient and the ratio of its electrical conductivity to its thermal counterpart for given temperature. To calculate various transport coefficients and thus the ZT values of gray arsenic, we apply the Boltzmann transport theory to its electronic and phononic structures obtained by density functional theory and density functional perturbation theory together with maximally locallized Wannier functions. During this procedure, we evaluate its relaxation time accurately by explicitly considering electron-phonon coupling. Our result reveals that gray arsenic may be used for a good p-type thermoelectric devices.

  15. Nanoscale chemical mapping of laser-solubilized silk

    NASA Astrophysics Data System (ADS)

    Ryu, Meguya; Kobayashi, Hanae; Balčytis, Armandas; Wang, Xuewen; Vongsvivut, Jitraporn; Li, Jingliang; Urayama, Norio; Mizeikis, Vygantas; Tobin, Mark; Juodkazis, Saulius; Morikawa, Junko

    2017-11-01

    A water soluble amorphous form of silk was made by ultra-short laser pulse irradiation and detected by nanoscale IR mapping. An optical absorption-induced nanoscale surface expansion was probed to yield the spectral response of silk at IR molecular fingerprinting wavelengths with a high  ˜ 20 nm spatial resolution defined by the tip of the probe. Silk microtomed sections of 1-5 μm in thickness were prepared for nanoscale spectroscopy and a laser was used to induce amorphisation. Comparison of silk absorbance measurements carried out by table-top and synchrotron Fourier transform IR spectroscopy proved that chemical imaging obtained at high spatial resolution and specificity (able to discriminate between amorphous and crystalline silk) is reliably achieved by nanoscale IR. Differences in absorbance and spectral line-shapes of the bands are related to the different sensitivity of the applied methods to real and imaginary parts of permittivity. A nanoscale material characterization by combining synchrotron IR radiation and nano-IR is discussed.

  16. Impact of tensile strain on the thermal transport of zigzag hexagonal boron nitride nanoribbon: An equilibrium molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Navid, Ishtiaque Ahmed; Intisar Khan, Asir; Subrina, Samia

    2018-02-01

    The thermal conductivity of single layer strained hexagonal boron nitride nanoribbon (h-BNNR) has been computed using the Green—Kubo formulation of Equilibrium Molecular Dynamics (EMD) simulation. We have investigated the impact of strain on thermal transport of h-BNNR by varying the applied tensile strain from 1% upto 5% through uniaxial loading. The thermal conductivity of h-BNNR decreases monotonically with the increase of uniaxial tensile strain keeping the sample size and temperature constant. The thermal conductivity can be reduced upto 86% for an applied uniaxial tensile strain of 5%. The impact of temperature and width variation on the thermal conductivity of h-BNNR has also been studied under different uniaxial tensile strain conditions. With the increase in temperature, the thermal conductivity of strained h-BNNR exhibits a decaying characteristics whereas it shows an opposite pattern with the increasing width. Such study would provide a good insight on the strain tunable thermal transport for the potential device application of boron nitride nanostructures.

  17. Electron tunneling in nanoscale electrodes for battery applications

    NASA Astrophysics Data System (ADS)

    Yamada, Hidenori; Narayanan, Rajaram; Bandaru, Prabhakar R.

    2018-03-01

    It is shown that the electrical current that may be obtained from a nanoscale electrochemical system is sensitive to the dimensionality of the electrode and the density of states (DOS). Considering the DOS of lower dimensional systems, such as two-dimensional graphene, one-dimensional nanotubes, or zero-dimensional quantum dots, yields a distinct variation of the current-voltage characteristics. Such aspects go beyond conventional Arrhenius theory based kinetics which are often used in experimental interpretation. The obtained insights may be adapted to other devices, such as solid-state batteries. It is also indicated that electron transport in such devices may be considered through electron tunneling.

  18. Nanoscale phase change memory materials.

    PubMed

    Caldwell, Marissa A; Jeyasingh, Rakesh Gnana David; Wong, H-S Philip; Milliron, Delia J

    2012-08-07

    Phase change memory materials store information through their reversible transitions between crystalline and amorphous states. For typical metal chalcogenide compounds, their phase transition properties directly impact critical memory characteristics and the manipulation of these is a major focus in the field. Here, we discuss recent work that explores the tuning of such properties by scaling the materials to nanoscale dimensions, including fabrication and synthetic strategies used to produce nanoscale phase change memory materials. The trends that emerge are relevant to understanding how such memory technologies will function as they scale to ever smaller dimensions and also suggest new approaches to designing materials for phase change applications. Finally, the challenges and opportunities raised by integrating nanoscale phase change materials into switching devices are discussed.

  19. Design, fabrication, and tests of a metallic shell tile thermal protection system for space transportation

    NASA Technical Reports Server (NTRS)

    Macconochie, Ian O.; Kelly, H. Neale

    1989-01-01

    A thermal protection tile for earth-to-orbit transports is described. The tiles consist of a rigid external shell filled with a flexible insulation. The tiles tend to be thicker than the current Shuttle rigidized silica tiles for the same entry heat load but are projected to be more durable and lighter. The tiles were thermally tested for several simulated entry trajectories.

  20. Three-dimensional phase segregation of micro-porous layers for fuel cells by nano-scale X-ray computed tomography

    NASA Astrophysics Data System (ADS)

    Andisheh-Tadbir, Mehdi; Orfino, Francesco P.; Kjeang, Erik

    2016-04-01

    Modern hydrogen powered polymer electrolyte fuel cells (PEFCs) utilize a micro-porous layer (MPL) consisting of carbon nanoparticles and polytetrafluoroethylene (PTFE) to enhance the transport phenomena and performance while reducing cost. However, the underlying mechanisms are not yet completely understood due to a lack of information about the detailed MPL structure and properties. In the present work, the 3D phase segregated nanostructure of an MPL is revealed for the first time through the development of a customized, non-destructive procedure for monochromatic nano-scale X-ray computed tomography visualization. Utilizing this technique, it is discovered that PTFE is situated in conglomerated regions distributed randomly within connected domains of carbon particles; hence, it is concluded that PTFE acts as a binder for the carbon particles and provides structural support for the MPL. Exposed PTFE surfaces are also observed that will aid the desired hydrophobicity of the material. Additionally, the present approach uniquely enables phase segregated calculation of effective transport properties, as reported herein, which is particularly important for accurate estimation of electrical and thermal conductivity. Overall, the new imaging technique and associated findings may contribute to further performance improvements and cost reduction in support of fuel cell commercialization for clean energy applications.

  1. Numerical modeling of physical vapor transport under microgravity conditions: Effect of thermal creep and stress

    NASA Technical Reports Server (NTRS)

    Mackowski, Daniel W.; Knight, Roy W.

    1993-01-01

    One of the most promising applications of microgravity (micro-g) environments is the manufacture of exotic and high-quality crystals in closed cylindrical ampoules using physical vapor transport (PVT) processes. The quality enhancements are believed to be due to the absence of buoyant convection in the weightless environment - resulting in diffusion-limited transport of the vapor. In a typical experiment, solid-phase sample material is initially contained at one end of the ampoule. The sample is made to sublime into the vapor phase and deposit onto the opposite end by maintaining the source at an elevated temperature with respect to the deposit. Identification of the physical factors governing both the rates and uniformity of crystal growth, and the optimization of the micro-g technology, will require an accurate modeling of the vapor transport within the ampoule. Previous micro-g modeling efforts have approached the problem from a 'classical' convective/diffusion formulation, in which convection is driven by the action of buoyancy on thermal and solutal density differences. The general conclusion of these works have been that in low gravity environments the effect of buoyancy on vapor transport is negligible, and vapor transport occurs in a diffusion-limited mode. However, it has been recently recognized than in the non-isothermal (and often low total pressure) conditions encountered in ampoules, the commonly-assumed no-slip boundary condition to the differential equations governing fluid motion can be grossly unrepresentative of the actual situation. Specifically, the temperature gradients can give rise to thermal creep flows at the ampoule side walls. In addition, temperature gradients in the vapor itself can, through the action of thermal stress, lead to bulk fluid convection.

  2. Improving efficiency of transport fuels production by thermal hydrolysis of waste activated sludge

    NASA Astrophysics Data System (ADS)

    Gulshin, Igor

    2017-10-01

    The article deals with issues of transport biofuels. Transport biofuels are an important element of a system of energy security. Moreover, as part of a system it is inextricably linked to the urban, rural or industrial infrastructure. The paper discusses methods of increasing the yield of biogas from anaerobic digesters at wastewater treatment plants. The thermal hydrolysis method was considered. The main advantages and drawbacks of this method were analyzed. The experimental biomass (from SNDOD-bioreactor) and high-organic substrate have been previously studied by respirometry methods. A biomethane potential of the investigated organic substrate has high rates because of substrate composition (the readily biodegradable substrate in the total composition takes about 85%). Waste activated sludge from SNDOD-bioreactor can be used for biofuel producing with high efficiency especially with pre-treatment like a thermal hydrolysis. Further studies have to consider the possibility of withdrawing inhibitors from waste activated sludge.

  3. Improving device performance of perovskite solar cells by micro-nanoscale composite mesoporous TiO2

    NASA Astrophysics Data System (ADS)

    Ting, Hungkit; Zhang, Danfei; He, Yihao; Wei, Shiyuan; Li, Tieyi; Sun, Weihai; Wu, Cuncun; Chen, Zhijian; Wang, Qi; Zhang, Guoyi; Xiao, Lixin

    2018-02-01

    In perovskite solar cells, the morphology of the porous TiO2 electron transport layer (ETL) largely determines the quality of the perovskites. Here, we chose micro-scale TiO2 (0.2 µm) and compared it with the conventional nanoscale TiO2 (20 nm) in relation to the crystallinity of perovskites. The results show that the micro-scale TiO2 is favorable for increasing the grain size of the perovskites and enhancing the light scattering. However, the oversized TiO2 results in an uneven surface. The evenness of the perovskites can be improved by nanoscale TiO2, while the crystallinity and compactness are not as good as those of the films based on micro-scale TiO2. To combine the advantages of both micro-scale and nanoscale TiO2, by mixing 0.2 µm/20 nm TiO2 with a ratio of 1:2 as the composite ETL, the device average power conversion efficiency was increased to 11.2% from 9.9% in the case of only 20 nm TiO2.

  4. Tin doped indium oxide anodes with artificially controlled nano-scale roughness using segregated Ag nanoparticles for organic solar cells

    NASA Astrophysics Data System (ADS)

    Kim, Hyo-Joong; Ko, Eun-Hye; Noh, Yong-Jin; Na, Seok-In; Kim, Han-Ki

    2016-09-01

    Nano-scale surface roughness in transparent ITO films was artificially formed by sputtering a mixed Ag and ITO layer and wet etching of segregated Ag nanoparticles from the surface of the ITO film. Effective removal of self-segregated Ag particles from the grain boundaries and surface of the crystalline ITO film led to a change in only the nano-scale surface morphology of ITO film without changes in the sheet resistance and optical transmittance. A nano-scale rough surface of the ITO film led to an increase in contact area between the hole transport layer and the ITO anode, and eventually increased the hole extraction efficiency in the organic solar cells (OSCs). The heterojunction OSCs fabricated on the ITO anode with a nano-scale surface roughness exhibited a higher power conversion efficiency of 3.320%, than that (2.938%) of OSCs made with the reference ITO/glass. The results here introduce a new method to improve the performance of OSCs by simply modifying the surface morphology of the ITO anodes.

  5. Nano-Localized Thermal Analysis and Mapping of Surface and Sub-Surface Thermal Properties Using Scanning Thermal Microscopy (SThM).

    PubMed

    Pereira, Maria J; Amaral, Joao S; Silva, Nuno J O; Amaral, Vitor S

    2016-12-01

    Determining and acting on thermo-physical properties at the nanoscale is essential for understanding/managing heat distribution in micro/nanostructured materials and miniaturized devices. Adequate thermal nano-characterization techniques are required to address thermal issues compromising device performance. Scanning thermal microscopy (SThM) is a probing and acting technique based on atomic force microscopy using a nano-probe designed to act as a thermometer and resistive heater, achieving high spatial resolution. Enabling direct observation and mapping of thermal properties such as thermal conductivity, SThM is becoming a powerful tool with a critical role in several fields, from material science to device thermal management. We present an overview of the different thermal probes, followed by the contribution of SThM in three currently significant research topics. First, in thermal conductivity contrast studies of graphene monolayers deposited on different substrates, SThM proves itself a reliable technique to clarify the intriguing thermal properties of graphene, which is considered an important contributor to improve the performance of downscaled devices and materials. Second, SThM's ability to perform sub-surface imaging is highlighted by thermal conductivity contrast analysis of polymeric composites. Finally, an approach to induce and study local structural transitions in ferromagnetic shape memory alloy Ni-Mn-Ga thin films using localized nano-thermal analysis is presented.

  6. Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

    We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving κInSe< κGaSe< κGaS. This behavior is demonstrated by correlating the scattering phase space limited by fundamental conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, thermal transport is governed by in-plane vibrations inmore » InSe, GaSe and GaS, similar to buckled monolayer materials such as silicene. Alloying of InSe, GaSe and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ~2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.« less

  7. Electrical and Thermal Transport in Coplanar Polycrystalline Graphene-hBN Heterostructures.

    PubMed

    Barrios-Vargas, José Eduardo; Mortazavi, Bohayra; Cummings, Aron W; Martinez-Gordillo, Rafael; Pruneda, Miguel; Colombo, Luciano; Rabczuk, Timon; Roche, Stephan

    2017-03-08

    We present a theoretical study of electronic and thermal transport in polycrystalline heterostructures combining graphene (G) and hexagonal boron nitride (hBN) grains of varying size and distribution. By increasing the hBN grain density from a few percent to 100%, the system evolves from a good conductor to an insulator, with the mobility dropping by orders of magnitude and the sheet resistance reaching the MΩ regime. The Seebeck coefficient is suppressed above 40% mixing, while the thermal conductivity of polycrystalline hBN is found to be on the order of 30-120 Wm -1 K -1 . These results, agreeing with available experimental data, provide guidelines for tuning G-hBN properties in the context of two-dimensional materials engineering. In particular, while we proved that both electrical and thermal properties are largely affected by morphological features (e.g., by the grain size and composition), we find in all cases that nanometer-sized polycrystalline G-hBN heterostructures are not good thermoelectric materials.

  8. Nanoscale interfacial mixing of Au/Bi layers using MeV ion beams

    NASA Astrophysics Data System (ADS)

    Prusty, Sudakshina; Siva, V.; Ojha, S.; Kabiraj, D.; Sahoo, P. K.

    2017-05-01

    We have studied nanoscale mixing of thermally deposited double bilayer films of Au/Bi after irradiating them by 1.5 MeV Au2+ ions. Post irradiation effects on the morphology and elemental identification in these films are studied by Scanning electron microscopy (SEM) and Energy dispersive X-ray spectroscopy (EDS). Glancing angle X-ray diffraction (GAXRD) of the samples indicate marginal changes in the irradiated samples due to combined effect of nuclear and electronic energy loss. The interfacial mixing is studied by Rutherford backscattering (RBS).

  9. Nanoscale inhomogeneity and photoacid generation dynamics in extreme ultraviolet resist materials

    NASA Astrophysics Data System (ADS)

    Wu, Ping-Jui; Wang, Yu-Fu; Chen, Wei-Chi; Wang, Chien-Wei; Cheng, Joy; Chang, Vencent; Chang, Ching-Yu; Lin, John; Cheng, Yuan-Chung

    2018-03-01

    The development of extreme ultraviolet (EUV) lithography towards the 22 nm node and beyond depends critically on the availability of resist materials that meet stringent control requirements in resolution, line edge roughness, and sensitivity. However, the molecular mechanisms that govern the structure-function relationships in current EUV resist systems are not well understood. In particular, the nanoscale structures of the polymer base and the distributions of photoacid generators (PAGs) should play a critical roles in the performance of a resist system, yet currently available models for photochemical reactions in EUV resist systems are exclusively based on homogeneous bulk models that ignore molecular-level details of solid resist films. In this work, we investigate how microscopic molecular organizations in EUV resist affect photoacid generations in a bottom-up approach that describes structure-dependent electron-transfer dynamics in a solid film model. To this end, molecular dynamics simulations and stimulated annealing are used to obtain structures of a large simulation box containing poly(4-hydroxystyrene) (PHS) base polymers and triphenylsulfonium based PAGs. Our calculations reveal that ion-pair interactions govern the microscopic distributions of the polymer base and PAG molecules, resulting in a highly inhomogeneous system with nonuniform nanoscale chemical domains. Furthermore, the theoretical structures were used in combination of quantum chemical calculations and the Marcus theory to evaluate electron transfer rates between molecular sites, and then kinetic Monte Carlo simulations were carried out to model electron transfer dynamics with molecular structure details taken into consideration. As a result, the portion of thermalized electrons that are absorbed by the PAGs and the nanoscale spatial distribution of generated acids can be estimated. Our data reveal that the nanoscale inhomogeneous distributions of base polymers and PAGs strongly affect the

  10. Pattern-free thermal modulator via thermal radiation between Van der Waals materials

    NASA Astrophysics Data System (ADS)

    Liu, Xianglei; Shen, Jiadong; Xuan, Yimin

    2017-10-01

    Modulating heat flux provides a platform for a plethora of emerging devices such as thermal diodes, thermal transistors, and thermal memories. Here, a pattern-free noncontact thermal modulator is proposed based on the mechanical rotation between two Van der Waals films with optical axes parallel to the surfaces. A modulation contrast can reach a value higher than 5 for hexagonal Boron Nitride (hBN) films separated by a nanoscale gap distance. The dominant radiative heat exchange comes from the excitation of both Type I and Type II hyperbolic surface phonon polaritons (HSPhPs) at the vacuum-hBN interface for different orientations, while the large modulation contrast is mainly attributed to the mismatching Type I HSPhPs induced by rotation. This work opens the possibility to design cheap thermal modulators without relying on nanofabrication techniques, and paves the way to apply natural Van der Waals materials in manipulating heat currents in an active way.

  11. Modifying Surface Energy of Graphene via Plasma-Based Chemical Functionalization to Tune Thermal and Electrical Transport at Metal Interfaces.

    PubMed

    Foley, Brian M; Hernández, Sandra C; Duda, John C; Robinson, Jeremy T; Walton, Scott G; Hopkins, Patrick E

    2015-08-12

    The high mobility exhibited by both supported and suspended graphene, as well as its large in-plane thermal conductivity, has generated much excitement across a variety of applications. As exciting as these properties are, one of the principal issues inhibiting the development of graphene technologies pertains to difficulties in engineering high-quality metal contacts on graphene. As device dimensions decrease, the thermal and electrical resistance at the metal/graphene interface plays a dominant role in degrading overall performance. Here we demonstrate the use of a low energy, electron-beam plasma to functionalize graphene with oxygen, fluorine, and nitrogen groups, as a method to tune the thermal and electrical transport properties across gold-single layer graphene (Au/SLG) interfaces. We find that while oxygen and nitrogen groups improve the thermal boundary conductance (hK) at the interface, their presence impairs electrical transport leading to increased contact resistance (ρC). Conversely, functionalization with fluorine has no impact on hK, yet ρC decreases with increasing coverage densities. These findings indicate exciting possibilities using plasma-based chemical functionalization to tailor the thermal and electrical transport properties of metal/2D material contacts.

  12. Thermal plasma and fast ion transport in electrostatic turbulence in the large plasma devicea)

    NASA Astrophysics Data System (ADS)

    Zhou, Shu; Heidbrink, W. W.; Boehmer, H.; McWilliams, R.; Carter, T. A.; Vincena, S.; Tripathi, S. K. P.; Van Compernolle, B.

    2012-05-01

    The transport of thermal plasma and fast ions in electrostatic microturbulence is studied. Strong density and potential fluctuations (δn /n˜δφ/kTe ˜ 0.5, f ˜ 5-50 kHz) are observed in the large plasma device (LAPD) [W. Gekelman, H. Pfister, Z. Lucky et al., Rev. Sci. Instrum. 62, 2875 (1991)] in density gradient regions produced by obstacles with slab or cylindrical geometry. Wave characteristics and the associated plasma transport are modified by driving sheared E × B drift through biasing the obstacle and by modification of the axial magnetic fields (Bz) and the plasma species. Cross-field plasma transport is suppressed with small bias and large Bz and is enhanced with large bias and small Bz. The transition in thermal plasma confinement is well explained by the cross-phase between density and potential fluctuations. Large gyroradius lithium fast ion beam (ρfast/ρs ˜ 10) orbits through the turbulent region. Scans with a collimated analyzer give detailed profiles of the fast ion spatial-temporal distribution. Fast-ion transport decreases rapidly with increasing fast-ion energy and gyroradius. Background waves with different scale lengths also alter the fast ion transport. Experimental results agree well with gyro-averaging theory. When the fast ion interacts with the wave for most of a wave period, a transition from super-diffusive to sub-diffusive transport is observed, as predicted by diffusion theory. Besides turbulent-wave-induced fast-ion transport, the static radial electric field (Er) from biasing the obstacle leads to drift of the fast-ion beam centroid. The drift and broadening of the beam due to static Er are evaluated both analytically and numerically. Simulation results indicate that the Er induced transport is predominately convective.

  13. Transport characteristics of nanoscale zero-valent iron carried by three different "vehicles" in porous media.

    PubMed

    Su, Yan; Zhao, Yong S; Li, Lu L; Qin, Chuan Y; Wu, Fan; Geng, Nan N; Lei, Jian S

    2014-01-01

    This study investigated the transport properties of nanoscale zero-valent iron (Fe(0)) (nZVI) carried by three vehicles: water, sodium dodecyl sulfate (SDS) solution, and SDS foam. Batch experiments were conducted to assess the sedimentation capability of nZVI particles in these three vehicles. Column experiments were conducted to investigate the transport properties of nZVI in porous media formed with different sizes of sand (0.25 mm to 0.5 mm, 0.5 mm to 0.9 mm, and 0.9 mm to 1.4 mm). Three main results were obtained. First, the batch experiments revealed that the stabilities of nZVI particles in SDS solution and SDS foam were improved, compared with that of nZVI particles in water. Moreover, the sedimentation of nZVI in foam was closely associated with the foam drainage volume. The nZVI content in foam was similar to that in the original foaming suspension, and the nZVI particle distribution in foam became significantly more uniform at a stirring speed of 3000 r/min. Second, the transport of nZVI was enhanced by foam compared with water and SDS solution for 0.25 mm to 0.5 mm diameter sand. For sand with diameters of 0.5 mm to 0.9 mm and 0.9 mm to 1.4 mm, the mobility of nZVI carried by SDS solution was optimal, followed by that of nZVI carried by foam and water. Thus, the mobility of nZVI in finer sand was significantly enhanced by foam, compared with that in coarse sand. In contrast, compared with the bare nZVI suspension and nZVI-laden foam, the spatial distribution of nZVI particles carried by SDS solution was significantly uniform along the column length. Third, the SDS concentration significantly influenced the migration of nZVI in porous media. The enhancement in the migration of nZVI carried by SDS solution was greater at an SDS dose of 0.25% compared with that at the other three doses (0.2%, 0.5%, and 1%) for sand with a 0.25 mm to 0.5 mm diameter. Increased SDS concentrations positively affected the transport of nZVI by foam for sand with a

  14. Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor

    PubMed Central

    Yan, Shichao; Malavolti, Luigi; Burgess, Jacob A. J.; Droghetti, Andrea; Rubio, Angel; Loth, Sebastian

    2017-01-01

    The ability to sense the magnetic state of individual magnetic nano-objects is a key capability for powerful applications ranging from readout of ultradense magnetic memory to the measurement of spins in complex structures with nanometer precision. Magnetic nano-objects require extremely sensitive sensors and detection methods. We create an atomic spin sensor consisting of three Fe atoms and show that it can detect nanoscale antiferromagnets through minute, surface-mediated magnetic interaction. Coupling, even to an object with no net spin and having vanishing dipolar stray field, modifies the transition matrix element between two spin states of the Fe atom–based spin sensor that changes the sensor’s spin relaxation time. The sensor can detect nanoscale antiferromagnets at up to a 3-nm distance and achieves an energy resolution of 10 μeV, surpassing the thermal limit of conventional scanning probe spectroscopy. This scheme permits simultaneous sensing of multiple antiferromagnets with a single-spin sensor integrated onto the surface. PMID:28560346

  15. Primary thermometry with nanoscale tunnel junctions

    NASA Astrophysics Data System (ADS)

    Hirvi, K. P.; Kauppinen, J. P.; Paalanen, M. A.; Pekola, J. P.

    1995-10-01

    We have found current-voltage (I-V) and conductance (dI/dV) characteristics of arrays of nanoscale tunnel junctions between normal metal electrodes to exhibit suitable features for primary thermometry. The current through a uniform array depends on the ratio of the thermal energy kBT and the electrostatic charging energy E c of the islands between the junctions and is completely blocked by Coulomb repulsion at T = 0 and at small voltages eV/2 ≤ Ec. In the opposite limit, kBT ≫ Ec, the width of the conductance minimum scales linearly and universally with T and N, the number of tunnel junctions, and qualifies as a primary thermometer. The zero bias drop in the conductance is proportional to T-1 and can be used as a secondary thermometer. We will show with Monte Carlo simulations how background charge and nonuniformities of the array will affect the thermometer.

  16. Current crowding issues on nanoscale planar organic transistors for spintronics applications.

    PubMed

    Verduci, Tindara; Chaumy, Guillaume; Dayen, Jean-Francois; Leclerc, Nicolas; Devaux, Eloïse; Stoeckel, Marc-Antoine; Orgiu, Emanuele; Samorì, Paolo; Doudin, Bernard

    2018-06-12

    The predominance of interface resistance makes current crowding ubiquitous in short channel organic electronics devices but its impact on spin transport has never been considered. We investigate electrochemically-doped nanoscale PBTTT short channel devices and observe the smallest reported values of crowding lengths, found for sub-100 nm electrodes separation. These observed values are nevertheless exceeding the spin diffusion lengths reported in the literature. We discuss here how current crowding can be taken into account in the framework of the Fert-Jaffrès model of spin current propagation in heterostructures, and predict that the anticipated resulting values of magnetoresistance can be significantly reduced. Current crowding therefore impacts spin transport applications and interpretation of the results on spin valve devices. © 2018 IOP Publishing Ltd.

  17. Near-field thermal upconversion and energy transfer through a Kerr medium.

    PubMed

    Khandekar, Chinmay; Rodriguez, Alejandro W

    2017-09-18

    We present an approach for achieving large Kerr χ (3) -mediated thermal energy transfer at the nanoscale that exploits a general coupled-mode description of triply resonant, four-wave mixing processes. We analyze the efficiency of thermal upconversion and energy transfer from mid- to near-infrared wavelengths in planar geometries involving two slabs supporting far-apart surface plasmon polaritons and separated by a nonlinear χ (3) medium that is irradiated by externally incident light. We study multiple geometric and material configurations and different classes of intervening mediums-either bulk or nanostructured lattices of nanoparticles embedded in nonlinear materials-designed to resonantly enhance the interaction of the incident light with thermal slab resonances. We find that even when the entire system is in thermodynamic equilibrium (at room temperature) and under typical drive intensities ~ W/μm 2 , the resulting upconversion rates can approach and even exceed thermal flux rates achieved in typical symmetric and non-equilibrium configurations of vacuum-separated slabs. The proposed nonlinear scheme could potentially be exploited to achieve thermal cooling and refrigeration at the nanoscale, and to actively control heat transfer between materials with dramatically different resonant responses.

  18. Influence of thermal fluctuations on ligament break-up: a fluctuating lattice Boltzmann study

    NASA Astrophysics Data System (ADS)

    Xue, Xiao; Biferale, Luca; Sbragaglia, Mauro; Toschi, Federico

    2017-11-01

    Thermal fluctuations are essential ingredients in a nanoscale system, driving Brownian motion of particles and capillary waves at non-ideal interfaces. Here we study the influence of thermal fluctuations on the breakup of liquid ligaments at the nanoscale. We offer quantitative characterization of the effects of thermal fluctuations on the Plateau-Rayleigh mechanism that drives the breakup process of ligaments. Due to thermal fluctuations, the droplet sizes after break-up need to be analyzed in terms of their distribution over an ensemble made of repeated experiments. To this aim, we make use of numerical simulations based on the fluctuating lattice Boltzmann method (FLBM) for multicomponent mixtures. The method allows an accurate and efficient simulation of the fluctuating hydrodynamics equations of a binary mixture, where both stochastic viscous stresses and diffusion fluxes are introduced. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No 642069.

  19. Use of Electrophoresis for Transporting Nano-Iron in Porous Media

    EPA Science Inventory

    Research was conducted to evaluate if electrophoresis could transport surface stabilized nanoscale zero-valent iron (nZVI) through fine grained sand with the intent of remediating a contaminant in situ. The experimental procedure involved determining the transport rates of poly...

  20. Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics Talk: Understanding Nano-scale Electronic Systems via Large-scale Computation

    NASA Astrophysics Data System (ADS)

    Cao, Chao

    2009-03-01

    Nano-scale physical phenomena and processes, especially those in electronics, have drawn great attention in the past decade. Experiments have shown that electronic and transport properties of functionalized carbon nanotubes are sensitive to adsorption of gas molecules such as H2, NO2, and NH3. Similar measurements have also been performed to study adsorption of proteins on other semiconductor nano-wires. These experiments suggest that nano-scale systems can be useful for making future chemical and biological sensors. Aiming to understand the physical mechanisms underlying and governing property changes at nano-scale, we start off by investigating, via first-principles method, the electronic structure of Pd-CNT before and after hydrogen adsorption, and continue with coherent electronic transport using non-equilibrium Green’s function techniques combined with density functional theory. Once our results are fully analyzed they can be used to interpret and understand experimental data, with a few difficult issues to be addressed. Finally, we discuss a newly developed multi-scale computing architecture, OPAL, that coordinates simultaneous execution of multiple codes. Inspired by the capabilities of this computing framework, we present a scenario of future modeling and simulation of multi-scale, multi-physical processes.

  1. Modeling the nanoscale viscoelasticity of fluids by bridging non-Markovian fluctuating hydrodynamics and molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Voulgarakis, Nikolaos K.; Satish, Siddarth; Chu, Jhih-Wei

    2009-12-01

    A multiscale computational method is developed to model the nanoscale viscoelasticity of fluids by bridging non-Markovian fluctuating hydrodynamics (FHD) and molecular dynamics (MD) simulations. To capture the elastic responses that emerge at small length scales, we attach an additional rheological model parallel to the macroscopic constitutive equation of a fluid. The widely used linear Maxwell model is employed as a working choice; other models can be used as well. For a fluid that is Newtonian in the macroscopic limit, this approach results in a parallel Newtonian-Maxwell model. For water, argon, and an ionic liquid, the power spectrum of momentum field autocorrelation functions of the parallel Newtonian-Maxwell model agrees very well with those calculated from all-atom MD simulations. To incorporate thermal fluctuations, we generalize the equations of FHD to work with non-Markovian rheological models and colored noise. The fluctuating stress tensor (white noise) is integrated in time in the same manner as its dissipative counterpart and numerical simulations indicate that this approach accurately preserves the set temperature in a FHD simulation. By mapping position and velocity vectors in the molecular representation onto field variables, we bridge the non-Markovian FHD with atomistic MD simulations. Through this mapping, we quantitatively determine the transport coefficients of the parallel Newtonian-Maxwell model for water and argon from all-atom MD simulations. For both fluids, a significant enhancement in elastic responses is observed as the wave number of hydrodynamic modes is reduced to a few nanometers. The mapping from particle to field representations and the perturbative strategy of developing constitutive equations provide a useful framework for modeling the nanoscale viscoelasticity of fluids.

  2. Part-crystalline part-liquid state and electrical/thermal transport in materials with chemical-bond hierarchy

    NASA Astrophysics Data System (ADS)

    Zhang, Wenqng

    2015-03-01

    A concept of part-crystalline part-liquid state (or liquid-like), and even part-crystalline part-glass state (or glass-like), was demonstrated in some materials such as Cu3SbSe3 with chemical-bond-hierarchy, in which certain constituent species weakly bond to other part of the crystal. Such a material could intrinsically manifest the coexistence of rigid crystalline sublattices and other fluctuating noncrystalline sublattices with thermally induced large amplitude vibrations and even flow of the group of species atoms. The large-amplitude vibrations and movement of atoms can generate unusual severe phonon scattering and thermal damping due to the collective low-frequency vibrations similar to the Boson peak in amorphous or liquid materials. While different phase or state may have large energetic discrepancy, whether the thermally-induced part-crystalline state is undergoing phase transition becomes an interesting issue. In addition, our earlier work reported that second-order phase transition could induce extreme electron and phonon scattering in thermoelectrics. The above work clearly demonstrated that the unusual effect from structural fluctuations on thermal and electrical transport in thermoelectrics should be paid attention to. While materials with these structural changes can retain extremely low lattice thermal conductivity and unusual electron transport and become promising candidates for high-performance thermoelectrics, underlying mechanism is yet to be explored.

  3. Computational insights of water droplet transport on graphene sheet with chemical density

    NASA Astrophysics Data System (ADS)

    Zhang, Liuyang; Wang, Xianqiao

    2014-05-01

    Surface gradient has been emerging as an intriguing technique for nanoscale particle manipulation and transportation. Owing to its outstanding and stable chemical properties, graphene with covalently bonded chemical groups represents extraordinary potential for the investigation of nanoscale transport in the area of physics and biology. Here, we employ molecular dynamics simulations to investigate the fundamental mechanism of utilizing a chemical density on a graphene sheet to control water droplet motions on it. Simulation results have demonstrated that the binding energy difference among distinct segment of graphene in terms of interaction between the covalently bonded oxygen atoms on graphene and the water molecules provides a fundamental driving force to transport the water droplet across the graphene sheet. Also, the velocity of the water droplet has showed a strong dependence on the relative concentration of oxygen atoms between successive segments. Furthermore, a multi-direction channel provides insights to guide the transportation of objects towards a targeted position, separating the mixtures with a system of specific chemical functionalization. Our findings shed illuminating lights on the surface gradient method and therefore provide a feasible way to control nanoscale motion on the surface and mimic the channelless microfluidics.

  4. Role of direct electron-phonon coupling across metal-semiconductor interfaces in thermal transport via molecular dynamics.

    PubMed

    Lin, Keng-Hua; Strachan, Alejandro

    2015-07-21

    Motivated by significant interest in metal-semiconductor and metal-insulator interfaces and superlattices for energy conversion applications, we developed a molecular dynamics-based model that captures the thermal transport role of conduction electrons in metals and heat transport across these types of interface. Key features of our model, denoted eleDID (electronic version of dynamics with implicit degrees of freedom), are the natural description of interfaces and free surfaces and the ability to control the spatial extent of electron-phonon (e-ph) coupling. Non-local e-ph coupling enables the energy of conduction electrons to be transferred directly to the semiconductor/insulator phonons (as opposed to having to first couple to the phonons in the metal). We characterize the effect of the spatial e-ph coupling range on interface resistance by simulating heat transport through a metal-semiconductor interface to mimic the conditions of ultrafast laser heating experiments. Direct energy transfer from the conduction electrons to the semiconductor phonons not only decreases interfacial resistance but also increases the ballistic transport behavior in the semiconductor layer. These results provide new insight for experiments designed to characterize e-ph coupling and thermal transport at the metal-semiconductor/insulator interfaces.

  5. EDITORIAL: Nanoscale metrology Nanoscale metrology

    NASA Astrophysics Data System (ADS)

    Picotto, G. B.; Koenders, L.; Wilkening, G.

    2009-08-01

    Instrumentation and measurement techniques at the nanoscale play a crucial role not only in extending our knowledge of the properties of matter and processes in nanosciences, but also in addressing new measurement needs in process control and quality assurance in industry. Micro- and nanotechnologies are now facing a growing demand for quantitative measurements to support the reliability, safety and competitiveness of products and services. Quantitative measurements presuppose reliable and stable instruments and measurement procedures as well as suitable calibration artefacts to ensure the quality of measurements and traceability to standards. This special issue of Measurement Science and Technology presents selected contributions from the Nanoscale 2008 seminar held at the Istituto Nazionale di Ricerca Metrologica (INRIM), Torino, in September 2008. This was the 4th Seminar on Nanoscale Calibration Standards and Methods and the 8th Seminar on Quantitative Microscopy (the first being held in 1995). The seminar was jointly organized by the Nanometrology Group within EUROMET (The European Collaboration in Measurement Standards), the German Nanotechnology Competence Centre 'Ultraprecise Surface Figuring' (CC-UPOB), the Physikalisch-Technische Bundesanstalt (PTB) and INRIM. A special event during the seminar was the 'knighting' of Günter Wilkening from PTB, Braunschweig, Germany, as the 1st Knight of Dimensional Nanometrology. Günter Wilkening received the NanoKnight Award for his outstanding work in the field of dimensional nanometrology over the last 20 years. The contributions in this special issue deal with the developments and improvements of instrumentation and measurement methods for scanning force microscopy (SFM), electron and optical microscopy, high-resolution interferometry, calibration of instruments and new standards, new facilities and applications including critical dimension (CD) measurements on small and medium structures and nanoparticle

  6. Dynamics of systems on the nanoscale

    NASA Astrophysics Data System (ADS)

    Korol, Andrei V.; Solov'yov, Andrey V.

    2017-12-01

    Various aspects of the structure formation and dynamics of animate and inanimate matter on the nanoscale is a highly interdisciplinary field of rapidly emerging research interest by both experimentalists and theorists. The International Conference on Dynamics of Systems on the Nanoscale (DySoN) is the premier forum to present cutting-edge research in this field. It was established in 2010 and the most recent conference was held in Bad Ems, Germany in October of 2016. This Topical Issue presents original research results from some of the participants, who attended this conference. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.

  7. Atomic layer deposition: an enabling technology for the growth of functional nanoscale semiconductors

    NASA Astrophysics Data System (ADS)

    Biyikli, Necmi; Haider, Ali

    2017-09-01

    In this paper, we present the progress in the growth of nanoscale semiconductors grown via atomic layer deposition (ALD). After the adoption by semiconductor chip industry, ALD became a widespread tool to grow functional films and conformal ultra-thin coatings for various applications. Based on self-limiting and ligand-exchange-based surface reactions, ALD enabled the low-temperature growth of nanoscale dielectric, metal, and semiconductor materials. Being able to deposit wafer-scale uniform semiconductor films at relatively low-temperatures, with sub-monolayer thickness control and ultimate conformality, makes ALD attractive for semiconductor device applications. Towards this end, precursors and low-temperature growth recipes are developed to deposit crystalline thin films for compound and elemental semiconductors. Conventional thermal ALD as well as plasma-assisted and radical-enhanced techniques have been exploited to achieve device-compatible film quality. Metal-oxides, III-nitrides, sulfides, and selenides are among the most popular semiconductor material families studied via ALD technology. Besides thin films, ALD can grow nanostructured semiconductors as well using either template-assisted growth methods or bottom-up controlled nucleation mechanisms. Among the demonstrated semiconductor nanostructures are nanoparticles, nano/quantum-dots, nanowires, nanotubes, nanofibers, nanopillars, hollow and core-shell versions of the afore-mentioned nanostructures, and 2D materials including transition metal dichalcogenides and graphene. ALD-grown nanoscale semiconductor materials find applications in a vast amount of applications including functional coatings, catalysis and photocatalysis, renewable energy conversion and storage, chemical sensing, opto-electronics, and flexible electronics. In this review, we give an overview of the current state-of-the-art in ALD-based nanoscale semiconductor research including the already demonstrated and future applications.

  8. Transport Phenomena of Water in Molecular Fluidic Channels

    PubMed Central

    Vo, Truong Quoc; Kim, BoHung

    2016-01-01

    In molecular-level fluidic transport, where the discrete characteristics of a molecular system are not negligible (in contrast to a continuum description), the response of the molecular water system might still be similar to the continuum description if the time and ensemble averages satisfy the ergodic hypothesis and the scale of the average is enough to recover the classical thermodynamic properties. However, even in such cases, the continuum description breaks down on the material interfaces. In short, molecular-level liquid flows exhibit substantially different physics from classical fluid transport theories because of (i) the interface/surface force field, (ii) thermal/velocity slip, (iii) the discreteness of fluid molecules at the interface and (iv) local viscosity. Therefore, in this study, we present the result of our investigations using molecular dynamics (MD) simulations with continuum-based energy equations and check the validity and limitations of the continuum hypothesis. Our study shows that when the continuum description is subjected to the proper treatment of the interface effects via modified boundary conditions, the so-called continuum-based modified-analytical solutions, they can adequately predict nanoscale fluid transport phenomena. The findings in this work have broad effects in overcoming current limitations in modeling/predicting the fluid behaviors of molecular fluidic devices. PMID:27650138

  9. Nanoscale Chemical Processes Affecting Storage Capacities and Seals during Geologic CO2 Sequestration.

    PubMed

    Jun, Young-Shin; Zhang, Lijie; Min, Yujia; Li, Qingyun

    2017-07-18

    surface morphology changes. Third, the hydrogeological responses (using wettability alteration as an example) of clay minerals to chemical reactions are discussed, which connects the nanoscale findings to the transport and capillary trapping of CO 2 in the reservoirs. Fourth, the interplay between chemical and mechanical alterations of geomedia, using wellbore cement as a model geomedium, is examined, which provides helpful insights into wellbore and caprock integrities and CO 2 mineralization. Combining these four aspects, our group has answered questions related to nanoscale chemical reactions in subsurface GCS sites regarding the types of reactions and the property alterations of reservoirs and caprocks. Ultimately, the findings can shed light on the influences of nanoscale chemical reactions on storage capacities and seals during geologic CO 2 sequestration.

  10. Thermal conductivity and phonon transport properties of silicon using perturbation theory and the environment-dependent interatomic potential

    NASA Astrophysics Data System (ADS)

    Pascual-Gutiérrez, José A.; Murthy, Jayathi Y.; Viskanta, Raymond

    2009-09-01

    Silicon thermal conductivities are obtained from the solution of the linearized phonon Boltzmann transport equation without the use of any parameter-fitting. Perturbation theory is used to compute the strength of three-phonon and isotope scattering mechanisms. Matrix elements based on Fermi's golden rule are computed exactly without assuming either average or mode-dependent Grüeisen parameters, and with no underlying assumptions of crystal isotropy. The environment-dependent interatomic potential is employed to describe the interatomic force constants and the perturbing Hamiltonians. A detailed methodology to accurately find three-phonon processes satisfying energy- and momentum-conservation rules is also described. Bulk silicon thermal conductivity values are computed across a range of temperatures and shown to match experimental data very well. It is found that about two-thirds of the heat transport in bulk silicon may be attributed to transverse acoustic modes. Effective relaxation times and mean free paths are computed in order to provide a more complete picture of the detailed transport mechanisms and for use with carrier transport models based on the Boltzmann transport equation.

  11. Nanoscale Reinforced, Polymer Derived Ceramic Matrix Coatings

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rajendra Bordia

    The goal of this project was to explore and develop a novel class of nanoscale reinforced ceramic coatings for high temperature (600-1000 C) corrosion protection of metallic components in a coal-fired environment. It was focused on developing coatings that are easy to process and low cost. The approach was to use high-yield preceramic polymers loaded with nano-size fillers. The complex interplay of the particles in the polymer, their role in controlling shrinkage and phase evolution during thermal treatment, resulting densification and microstructural evolution, mechanical properties and effectiveness as corrosion protection coatings were investigated. Fe-and Ni-based alloys currently used in coal-firedmore » environments do not possess the requisite corrosion and oxidation resistance for next generation of advanced power systems. One example of this is the power plants that use ultra supercritical steam as the working fluid. The increase in thermal efficiency of the plant and decrease in pollutant emissions are only possible by changing the properties of steam from supercritical to ultra supercritical. However, the conditions, 650 C and 34.5 MPa, are too severe and result in higher rate of corrosion due to higher metal temperatures. Coating the metallic components with ceramics that are resistant to corrosion, oxidation and erosion, is an economical and immediate solution to this problem. Good high temperature corrosion protection ceramic coatings for metallic structures must have a set of properties that are difficult to achieve using established processing techniques. The required properties include ease of coating complex shapes, low processing temperatures, thermal expansion match with metallic structures and good mechanical and chemical properties. Nanoscale reinforced composite coatings in which the matrix is derived from preceramic polymers have the potential to meet these requirements. The research was focused on developing suitable material systems and

  12. Vapor Transport Within the Thermal Diffusion Cloud Chamber

    NASA Technical Reports Server (NTRS)

    Ferguson, Frank T.; Heist, Richard H.; Nuth, Joseph A., III

    2000-01-01

    A review of the equations used to determine the 1-D vapor transport in the thermal diffusion cloud chamber (TDCC) is presented. These equations closely follow those of the classical Stefan tube problem in which there is transport of a volatile species through a noncondensible, carrier gas. In both cases, the very plausible assumption is made that the background gas is stagnant. Unfortunately, this assumption results in a convective flux which is inconsistent with the momentum and continuity equations for both systems. The approximation permits derivation of an analytical solution for the concentration profile in the Stefan tube, but there is no computational advantage in the case of the TDCC. Furthermore, the degree of supersaturation is a sensitive function of the concentration profile in the TD CC and the stagnant background gas approximation can make a dramatic difference in the calculated supersaturation. In this work, the equations typically used with a TDCC are compared with very general transport equations describing the 1-D diffusion of the volatile species. Whereas no pressure dependence is predicted with the typical equations, a strong pressure dependence is present with the more general equations given in this work. The predicted behavior is consistent with observations in diffusion cloud experiments. It appears that the new equations may account for much of the pressure dependence noted in TDCC experiments, but a comparison between the new equations and previously obtained experimental data are needed for verification.

  13. Thermal and Electrical Transport in Oxide Heterostructures

    NASA Astrophysics Data System (ADS)

    Ravichandran, Jayakanth

    This dissertation presents a study of thermal and electrical transport phenomena in heterostructures of transition metal oxides, with specific interest in understanding and tailoring thermoelectricity in these systems. Thermoelectric energy conversion is a promising method for waste heat recovery and the efficiency of such an engine is directly related to a material dependent figure of merit, Z, given as S2sigma/kappa, where S is thermopower and sigma and kappa are electrical and thermal conductivity respectively. Achieving large figure of merit has been hampered by the coupling between these three thermoelectric coefficients, and the primary aim of this study is to understand the nature of thermoelectricity in complex oxides and identify mechanisms which can allow tuning of one or more thermoelectric coefficients in a favorable manner. Unlike the heavily studied conventional thermoelectric semiconductors, transition metals based complex oxides show conduction band characteristics dominated by d-bands, with much larger effective masses and varying degrees of electron correlations. These systems provide for exotic thermoelectric effects which are typically not explained by conventional theories and hence provide an ideal platform for exploring the limits of thermoelectricity. Meanwhile, oxides are composed of earth abundant elements and have excellent high temperature stability, thus providing compelling technological possibilities for thermoelectrics based power generation. In this dissertation, we address specific aspects of thermoelectricity in model complex oxide systems such as perovskite titanates and layered cobaltates to understand thermal and thermoelectric behavior and explore the tunability of thermoelectricity in these systems. The demonstration of band engineering as a viable method to tune physical properties of materials is explored. The model system used for this case is strontium titanate, where two dopants such as La on the Sr-site and oxygen

  14. Interfacial thermal transport with strong system-bath coupling: A phonon delocalization effect

    NASA Astrophysics Data System (ADS)

    He, Dahai; Thingna, Juzar; Cao, Jianshu

    2018-05-01

    We study the effect of system-bath coupling strength on quantum thermal transport through the interface of two weakly coupled anharmonic molecular chains by using a quantum self-consistent phonon approach. The approach inherently assumes that the two segments (anharmonic molecular chains) are approximately in local thermal equilibrium with respect to the baths that they are connected to and transforms the strongly anharmonic system into an effective harmonic one with a temperature-dependent transmission. Despite the approximations, the approach is ideal for our setup, wherein the weak interfacial coupling guarantees an approximate local thermal equilibrium of each segment and short chain length (less than the phonon mean-free path) ensues from the effective harmonic approximation. Remarkably, the heat current shows a resonant to bi-resonant transition due to the variations in the interfacial coupling and temperature, which is attributed to the delocalization of phonon modes. Delocalization occurs only in the strong system-bath coupling regime and we utilize it to model a thermal rectifier whose ratio can be nonmonotonically tuned not only with the intrinsic system parameters but also with the external temperature.

  15. [Smart drug delivery systems based on nanoscale ZnO].

    PubMed

    Huang, Xiao; Chen, Chun; Yi, Caixia; Zheng, Xi

    2018-04-01

    In view of the excellent biocompatibility as well as the low cost, nanoscale ZnO shows great potential for drug delivery application. Moreover, The charming character enable nanoscale ZnO some excellent features (e.g. dissolution in acid, ultrasonic permeability, microwave absorbing, hydrophobic/hydrophilic transition). All of that make nanoscale ZnO reasonable choices for smart drug delivery. In the recent decade, more and more studies have focused on controlling the drug release behavior via smart drug delivery systems based on nanoscale ZnO responsive to some certain stimuli. Herein, we review the recent exciting progress on the pH-responsive, ultrasound-responsive, microwave-responsive and UV-responsive nanoscale ZnO-based drug delivery systems. A brief introduction of the drug controlled release behavior and its effect of the drug delivery systems is presented. The biocompatibility of nanoscale ZnO is also discussed. Moreover, its development prospect is looked forward.

  16. Review on measurement techniques of transport properties of nanowires Additions and Corrections. See DOI:10.1039/C3NR03242F Click here for additional data file.

    PubMed Central

    Rojo, Miguel Muñoz; Calero, Olga Caballero; Lopeandia, A. F.; Rodriguez-Viejo, J.

    2013-01-01

    Physical properties at the nanoscale are novel and different from those in bulk materials. Over the last few decades, there has been an ever growing interest in the fabrication of nanowire structures for a wide variety of applications including energy generation purposes. Nevertheless, the study of their transport properties, such as thermal conductivity, electrical conductivity or Seebeck coefficient, remains an experimental challenge. For instance, in the particular case of nanostructured thermoelectrics, theoretical calculations have shown that nanowires offer a promising way of enhancing the hitherto low efficiency of these materials in the conversion of temperature differences into electricity. Therefore, within the thermoelectrical community there has been a great experimental effort in the measurement of these quantities in actual nanowires. The measurements of these properties at the nanoscale are also of interest in fields other than energy, such as electrical components for microchips, field effect transistors, sensors, and other low scale devices. For all these applications, knowing the transport properties is mandatory. This review deals with the latest techniques developed to perform the measurement of these transport properties in nanowires. A thorough overview of the most important and modern techniques used for the characterization of different kinds of nanowires will be shown. PMID:24113712

  17. Thermal transport study across interface “nanostructured solid surface / fluid” by photoacoustic technique

    NASA Astrophysics Data System (ADS)

    Voitenko, K.; Isaiev, M.; Pastushenko, A.; Andrusenko, D.; Kuzmich, A.; Lysenko, V.; Burbelo, R.

    2017-01-01

    In the paper the experimental study of heat transport across the interface “porous silicon/liquid” by photoacoustic technique is reported. Two cases with and without liquid covering of porous silicon surface were considered. Thermal perturbations were excited at the surface of porous silicon as a result of absorption of the light with modulated intensity. The resulting thermal-elastic stresses arising in the system were registered with piezoelectric transducer. The amplitude-frequency dependencies of the voltage on the piezoelectric electrodes were measured. The presence of the liquid film leads to decreasing of the amplitude of photoacoustic signal as a result of the thermal energy evacuation from the porous silicon into the liquid. The experimental dependencies were fitted with the results of simulation that takes into account heat fluxes separation at the porous silicon/liquid interface. With the presented method one can precisely measure heat fluxes transferred from the solid into contacting fluid. Moreover, the presented approach can be easily adopted for the thermal conductivity study of the different nanofluids as well as thermal resistance at the interface nanostructured solid/fluid.

  18. Strain-modulated electronic and thermal transport properties of two-dimensional O-silica

    NASA Astrophysics Data System (ADS)

    Han, Yang; Qin, Guangzhao; Jungemann, Christoph; Hu, Ming

    2016-07-01

    Silica is one of the most abundant materials in the Earth’s crust and is a remarkably versatile and important engineering material in various modern science and technology. Recently, freestanding and well-ordered two-dimensional (2D) silica monolayers with octahedral (O-silica) building blocks were found to be theoretically stable by (Wang G et al 2015 J. Phys. Chem. C 119 15654-60). In this paper, by performing first-principles calculations, we systematically investigated the electronic and thermal transport properties of 2D O-silica and also studied how these properties can be tuned by simple mechanical stretching. Unstrained 2D O-silica is an insulator with an indirect band gap of 6.536 eV. The band gap decreases considerably with bilateral strain up to 29%, at which point a semiconductor-metal transition occurs. More importantly, the in-plane thermal conductivity of freestanding 2D O-silica is found to be unusually high, which is around 40 to 50 times higher than that of bulk α-quartz and more than two orders of magnitude higher than that of amorphous silica. The thermal conductivity of O-silica decreases by almost two orders of magnitude when the bilateral stretching strain reaches 10%. By analyzing the mode-dependent phonon properties and phonon-scattering channel, the phonon lifetime is found to be the dominant factor that leads to the dramatic decrease of the lattice thermal conductivity under strain. The very sensitive response of both band gap and phonon transport properties to the external mechanical strain will enable 2D O-silica to easily adapt to the different environment of realistic applications. Our study is expected to stimulate experimental exploration of further physical and chemical properties of 2D silica systems, and offers perspectives on modulating the electronic and thermal properties of related low-dimensional structures for applications such as thermoelectric, photovoltaic, and optoelectronic devices.

  19. Polymer/fullerene photovoltaic devices: Nanoscale control of the interface by thermally-controlled interdiffusion

    NASA Astrophysics Data System (ADS)

    Drees, Martin

    -PPV bulk in the form of >10 nm clusters. This clustering of C60 is a result of its tendency to crystallize and the low miscibility of C 60 in MEH-PPV, leading to strong phase separation. To improve the interdiffusion process, the donor polymer is replaced by poly(3-octylthiophene-2,5-diyl) (P3OT), which has a better miscibility with C60. Again, the photocurrents of the interdiffused devices are improved significantly. A monochromatic power conversion efficiency of 1.5% is obtained for illumination of 3.8 mW/cm2 at 470 nm. The polymer concentration in unheated and interdiffused films is studied with Auger spectroscopy in combination with ion beam milling. The concentration profile shows a distinct interface between P3OT and C60 in unheated films and a slow rise of the P3OT concentration throughout a large cross-section of the interdiffused film. TEM studies on P3OT/C60 films show that C60 still has some tendency to form clusters. The results of this thesis demonstrate that thermally-controlled interdiffusion is a viable approach for fabrication of efficient photovoltaic devices through nanoscale control of composition and morphology. These results are also used to draw conclusions about the influence of film morphology on the photovoltaic device efficiency and to identify important issues related to materials choice for the interdiffusion process. Prospective variations in materials choice are suggested to achieve better film morphologies.

  20. Performance assessment and optimization of an irreversible nano-scale Stirling engine cycle operating with Maxwell-Boltzmann gas

    NASA Astrophysics Data System (ADS)

    Ahmadi, Mohammad H.; Ahmadi, Mohammad-Ali; Pourfayaz, Fathollah

    2015-09-01

    Developing new technologies like nano-technology improves the performance of the energy industries. Consequently, emerging new groups of thermal cycles in nano-scale can revolutionize the energy systems' future. This paper presents a thermo-dynamical study of a nano-scale irreversible Stirling engine cycle with the aim of optimizing the performance of the Stirling engine cycle. In the Stirling engine cycle the working fluid is an Ideal Maxwell-Boltzmann gas. Moreover, two different strategies are proposed for a multi-objective optimization issue, and the outcomes of each strategy are evaluated separately. The first strategy is proposed to maximize the ecological coefficient of performance (ECOP), the dimensionless ecological function (ecf) and the dimensionless thermo-economic objective function ( F . Furthermore, the second strategy is suggested to maximize the thermal efficiency ( η), the dimensionless ecological function (ecf) and the dimensionless thermo-economic objective function ( F). All the strategies in the present work are executed via a multi-objective evolutionary algorithms based on NSGA∥ method. Finally, to achieve the final answer in each strategy, three well-known decision makers are executed. Lastly, deviations of the outcomes gained in each strategy and each decision maker are evaluated separately.

  1. Optical and thermal-transport properties of an inhomogeneous d-wave superconductor.

    PubMed

    Atkinson, W A; Hirschfeld, P J

    2002-05-06

    We calculate transport properties of disordered 2D d-wave superconductors from solutions of the Bogoliubov-de Gennes equations, and show that weak localization effects give rise to a finite-frequency peak in the optical conductivity similar to that observed in experiments on disordered cuprates. At low energies, order parameter inhomogeneities induce linear and quadratic temperature dependencies in microwave and thermal conductivities respectively, and appear to drive the system towards a quasiparticle insulating phase.

  2. Higher concentrations of nanoscale zero-valent iron (nZVI) in soil induced rice chlorosis due to inhibited active iron transportation.

    PubMed

    Wang, Jie; Fang, Zhanqiang; Cheng, Wen; Yan, Xiaomin; Tsang, Pokeung Eric; Zhao, Dongye

    2016-03-01

    In this study, the effects of concentrations 0, 100, 250, 500, 750 and 1000 mg kg(-1) of nanoscale zero-valent iron (nZVI) on germination, seedlings growth, physiology and toxicity mechanisms were investigated. The results showed that nZVI had no effect on germination, but inhibited the rice seedlings growth in higher concentrations (>500 mg kg(-1) nZVI). The highest suppression rate of the length of roots and shoots reached 46.9% and 57.5%, respectively. The 1000mg kg(-1) nZVI caused the highest suppression rates for chlorophyll and carotenoids, at 91.6% and 85.2%, respectively. In addition, the activity of antioxidant enzymes was altered by the translocation of nanoparticles and changes in active iron content. Visible symptoms of iron deficiency were observed at higher concentrations, at which the active iron content decreased 61.02% in the shoots, but the active iron content not decreased in roots. Interestingly, the total and available amounts of iron in the soil were not less than those in the control. Therefore, the plants iron deficiency was not caused by (i) deficiency of available iron in the soil and (ii) restraint of the absorption that plant takes in the available iron, while induced by (ⅲ) the transport of active iron from the root to the shoot was blocked. The cortex tissues were seriously damaged by nZVI which was transported from soil to the root, these were proved by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS). This current study shows that the mechanism of iron deficiency in rice seedling was due to transport of active iron from the root to the shoot blocked, which was caused by the uptake of nZVI. Copyright © 2016 Elsevier Ltd. All rights reserved.

  3. New directions for nanoscale thermoelectric materials research

    NASA Technical Reports Server (NTRS)

    Dresselhaus, M. S.; Chen, G.; Tang, M. Y.; Yang, R. G.; Lee, H.; Wang, D. Z.; Ren, F.; Fleurial, J. P.; Gogna, P.

    2005-01-01

    Many of the recent advances in enhancing the thermoelectric figure of merit are linked to nanoscale phenomena with both bulk samples containing nanoscale constituents and nanoscale materials exhibiting enhanced thermoelectric performance in their own right. Prior theoretical and experimental proof of principle studies on isolated quantum well and quantum wire samples have now evolved into studies on bulk samples containing nanostructured constituents. In this review, nanostructural composites are shown to exhibit nanostructures and properties that show promise for thermoelectric applications. A review of some of the results obtained to date are presented.

  4. Remarkably enhanced thermal transport based on a flexible horizontally-aligned carbon nanotube array film

    PubMed Central

    Qiu, Lin; Wang, Xiaotian; Su, Guoping; Tang, Dawei; Zheng, Xinghua; Zhu, Jie; Wang, Zhiguo; Norris, Pamela M.; Bradford, Philip D.; Zhu, Yuntian

    2016-01-01

    It has been more than a decade since the thermal conductivity of vertically aligned carbon nanotube (VACNT) arrays was reported possible to exceed that of the best thermal greases or phase change materials by an order of magnitude. Despite tremendous prospects as a thermal interface material (TIM), results were discouraging for practical applications. The primary reason is the large thermal contact resistance between the CNT tips and the heat sink. Here we report a simultaneous sevenfold increase in in-plane thermal conductivity and a fourfold reduction in the thermal contact resistance at the flexible CNT-SiO2 coated heat sink interface by coupling the CNTs with orderly physical overlapping along the horizontal direction through an engineering approach (shear pressing). The removal of empty space rapidly increases the density of transport channels, and the replacement of the fine CNT tips with their cylindrical surface insures intimate contact at CNT-SiO2 interface. Our results suggest horizontally aligned CNT arrays exhibit remarkably enhanced in-plane thermal conductivity and reduced out-of-plane thermal conductivity and thermal contact resistance. This novel structure makes CNT film promising for applications in chip-level heat dissipation. Besides TIM, it also provides for a solution to anisotropic heat spreader which is significant for eliminating hot spots. PMID:26880221

  5. Thermal transport through a spin-phonon interacting junction: A nonequilibrium Green's function method study

    NASA Astrophysics Data System (ADS)

    Zhang, Zu-Quan; Lü, Jing-Tao

    2017-09-01

    Using the nonequilibrium Green's function method, we consider heat transport in an insulating ferromagnetic spin chain model with spin-phonon interaction under an external magnetic field. Employing the Holstein-Primakoff transformation to the spin system, we treat the resulted magnon-phonon interaction within the self-consistent Born approximation. We find the magnon-phonon coupling can change qualitatively the magnon thermal conductance in the high-temperature regime. At a spectral mismatched ferromagnetic-normal insulator interface, we also find thermal rectification and negative differential thermal conductance due to the magnon-phonon interaction. We show that these effects can be effectively tuned by the external applied magnetic field, a convenient advantage absent in anharmonic phonon and electron-phonon systems studied before.

  6. Thermal transport of carbon nanotubes and graphene under optical and electrical heating measured by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Hsu, I.-Kai

    This thesis presents systematic studies of thermal transport in individual single walled carbon nanotubes (SWCNTs) and graphene by optical and electrical approaches using Raman spectroscopy. In the work presented from Chapter 2 to Chapter 6, individual suspended CNTs are preferentially measured in order to explore their intrinsic thermal properties. Moreover, the Raman thermometry is developed to detect the temperature of the carbon nanotube (CNT). A parabolic temperature profile is observed in the suspended region of the CNT while a heating laser scans across it, providing a direct evidence of diffusive thermal transport in an individual suspended CNT. Based on the curvature of the temperature profile, we can solve for the ratio of thermal contact resistance to the thermal resistance of the CNT, which spans the range from 0.02 to 17. The influence of thermal contact resistance on the thermal transport in an individual suspended CNT is also studied. The Raman thermometry is carried out in the center of a CNT, while its contact length is successively shortened by an atomic force microscope (AFM) tip cutting technique. By investigating the dependence of the CNT temperature on its thermal contact length, the temperature of a CNT is found to increase dramatically as the contact length is made shorter. This work reveals the importance of manipulating the CNT thermal contact length when adopting CNT as a thermal management material. In using a focused laser to induce heating in a suspended CNT, one open question that remains unanswered is how many of the incident photons are absorbed by the CNT of interest. To address this question, micro-fabricated platinum thermometers, together with micro-Raman spectroscopy are used to quantify the optical absorption of an individual CNT. The absorbed power in the CNT is equal to the power detected by two thermometers at the end of the CNT. Our result shows that the optical absorption lies in the range between 0.03 to 0.44%. In

  7. Ratcheted electrophoresis of Brownian particles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kowalik, Mikołaj; Bishop, Kyle J. M., E-mail: kjmbishop@engr.psu.edu

    2016-05-16

    The realization of nanoscale machines requires efficient methods by which to rectify unbiased perturbations to perform useful functions in the presence of significant thermal noise. The performance of such Brownian motors often depends sensitively on their operating conditions—in particular, on the relative rates of diffusive and deterministic motions. In this letter, we present a type of Brownian motor that uses contact charge electrophoresis of a colloidal particle within a ratcheted channel to achieve directed transport or perform useful work against an applied load. We analyze the stochastic dynamics of this model ratchet to show that it functions under any operatingmore » condition—even in the limit of strong thermal noise and in contrast to existing ratchets. The theoretical results presented here suggest that ratcheted electrophoresis could provide a basis for electrochemically powered, nanoscale machines capable of transport and actuation of nanoscale components.« less

  8. Nanoscale solid-state cooling: a review.

    PubMed

    Ziabari, Amirkoushyar; Zebarjadi, Mona; Vashaee, Daryoosh; Shakouri, Ali

    2016-09-01

    The recent developments in nanoscale solid-state cooling are reviewed. This includes both theoretical and experimental studies of different physical concepts, as well as nanostructured material design and device configurations. We primarily focus on thermoelectric, thermionic and thermo-magnetic coolers. Particular emphasis is given to the concepts based on metal-semiconductor superlattices, graded materials, non-equilibrium thermoelectric devices, Thomson coolers, and photon assisted Peltier coolers as promising methods for efficient solid-state cooling. Thermomagnetic effects such as magneto-Peltier and Nernst-Ettingshausen cooling are briefly described and recent advances and future trends in these areas are reviewed. The ongoing progress in solid-state cooling concepts such as spin-calorimetrics, electrocalorics, non-equilibrium/nonlinear Peltier devices, superconducting junctions and two-dimensional materials are also elucidated and practical achievements are reviewed. We explain the thermoreflectance thermal imaging microscopy and the transient Harman method as two unique techniques developed for characterization of thermoelectric microrefrigerators. The future prospects for solid-state cooling are briefly summarized.

  9. Nanoscale pillar arrays for separations

    DOE PAGES

    Kirchner, Teresa; Strickhouser, Rachel; Hatab, Nahla; ...

    2015-04-01

    The work presented herein evaluates silicon nano-pillar arrays for use in planar chromatography. Electron beam lithography and metal thermal dewetting protocols were used to create nano-thin layer chromatography platforms. With these fabrication methods we are able to reduce the size of the characteristic features in a separation medium below that used in ultra-thin layer chromatography; i.e. pillar heights are 1-2μm and pillar diameters are typically in the 200- 400nm range. In addition to the intrinsic nanoscale aspects of the systems, it is shown they can be further functionalized with nanoporous layers and traditional stationary phases for chromatography; hence exhibit broad-rangingmore » lab-on-a-chip and point-of-care potential. Because of an inherent high permeability and very small effective mass transfer distance between pillars, chromatographic efficiency can be very high but is enhanced herein by stacking during development and focusing while drying, yielding plate heights in the nm range separated band volumes. Practical separations of fluorescent dyes, fluorescently derivatized amines, and anti-tumor drugs are illustrated.« less

  10. PREFACE: Selected papers from the Fourth Topical Conference on Nanoscale Science and Engineering of the American Institute of Chemical Engineers

    NASA Astrophysics Data System (ADS)

    Wong, Michael S.; Lee, Gil U.

    2005-07-01

    This special issue of Nanotechnology contains research papers contributed by the participants of the Fourth Topical Conference on Nanoscale Science and Engineering at the Annual Meeting of the American Institute of Chemical Engineers (AIChE), which was held in Austin, Texas, USA, 7-12 November, 2004. This conference saw 284 oral presentations from institutions around the world, which is the highest number for this topical conference series to date. These presentations were organized into 64 sessions, covering the range of nanotechnology subject areas in which chemical engineers are currently engaged. These sessions included the following areas. • Fundamentals: thermodynamics at the nanoscale; applications of nanostructured fluids; transport properties in nanophase and nanoscale systems; molecular modelling methods; self and directed assembly at the nanoscale; nanofabrication and nanoscale processing; manipulation of nanophases by external fields; nanoscale systems; adsorption and transport in carbon nanotubes; nanotribology; making the transition from materials and phenomena to new technologies; operation of micro-and nano-systems. • Materials: nanoparticle synthesis and stabilization; nanoscale structure in polymers; nanotemplating of polymers; synthesis of carbon nanotubes and nanotube-based materials; nanowires; nanoparticle assemblies and superlattices; nanoelectronic materials; self-assembly of templated inorganic materials; nanostructured hybrid organic/inorganic materials; gas phase synthesis of nanoparticles; multicomponent structured particles; nano energetic materials; liquid-phase synthesis of nanoparticles. • Energy: synthesis and characterization of nanostructured catalytic materials; nanomaterials and devices for energy applications. • Biotechnology: nanobiotechnology; nanotechnology for the biotechnology and pharmaceuticals industries; nanotechnology and nanobiotechnology for sensors; advances in biomaterials, bionanotechnology, biomimetic

  11. Flexural resonance mechanism of thermal transport across graphene-SiO2 interfaces

    NASA Astrophysics Data System (ADS)

    Ong, Zhun-Yong; Qiu, Bo; Xu, Shanglong; Ruan, Xiulin; Pop, Eric

    2018-03-01

    Understanding the microscopic mechanism of heat dissipation at the dimensionally mismatched interface between a two-dimensional (2D) crystal and its substrate is crucial for the thermal management of devices based on 2D materials. Here, we study the lattice contribution to thermal (Kapitza) transport at graphene-SiO2 interfaces using molecular dynamics (MD) simulations and non-equilibrium Green's functions (NEGF). We find that 78 percent of the Kapitza conductance is due to sub-20 THz flexural acoustic modes, and that a resonance mechanism dominates the interfacial phonon transport. MD and NEGF estimate the classical Kapitza conductance to be hK ≈ 10 to 16 MW K-1 m-2 at 300 K, respectively, consistent with existing experimental observations. Taking into account quantum mechanical corrections, this value is approximately 28% lower at 300 K. Our calculations also suggest that hK scales as T2 at low temperatures (T < 100 K) due to the linear frequency dependence of phonon transmission across the graphene-SiO2 interface at low frequencies. Our study sheds light on the role of flexural acoustic phonons in heat dissipation from graphene to its substrate.

  12. Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles

    DOE PAGES

    Protik, Nakib Haider; Katre, Ankita; Lindsay, Lucas R.; ...

    2017-06-07

    Here, silicon carbide (SiC) is a wide band gap semiconductor with a variety of industrial applications. Among its many useful properties is its high thermal conductivity, which makes it advantageous for thermal management applications. In this paper we present ab initio calculations of the in-plane and cross-plane thermal conductivities, κ in and κ out, of three common hexagonal polytypes of SiC: 2H, 4H and 6H. The phonon Boltzmann transport equation is solved iteratively using as input interatomic force constants determined from density functional theory. Both κ in and κ out decrease with increasing n in nH SiC because of additionalmore » low-lying optic phonon branches. These optic branches are characterized by low phonon group velocities, and they increase the phase space for phonon-phonon scattering of acoustic modes. Also, for all n, κ in is found to be larger than κ out in the temperature range considered. At electron concentrations present in experimental samples, scattering of phonons by electrons is shown to be negligible except well below room temperature where it can lead to a significant reduction of the lattice thermal conductivity. This work highlights the power of ab initio approaches in giving quantitative, predictive descriptions of thermal transport in materials. It helps explain the qualitative disagreement that exists among different sets of measured thermal conductivity data and provides information of the relative quality of samples from which measured data was obtained.« less

  13. Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Protik, Nakib Haider; Katre, Ankita; Lindsay, Lucas R.

    Here, silicon carbide (SiC) is a wide band gap semiconductor with a variety of industrial applications. Among its many useful properties is its high thermal conductivity, which makes it advantageous for thermal management applications. In this paper we present ab initio calculations of the in-plane and cross-plane thermal conductivities, κ in and κ out, of three common hexagonal polytypes of SiC: 2H, 4H and 6H. The phonon Boltzmann transport equation is solved iteratively using as input interatomic force constants determined from density functional theory. Both κ in and κ out decrease with increasing n in nH SiC because of additionalmore » low-lying optic phonon branches. These optic branches are characterized by low phonon group velocities, and they increase the phase space for phonon-phonon scattering of acoustic modes. Also, for all n, κ in is found to be larger than κ out in the temperature range considered. At electron concentrations present in experimental samples, scattering of phonons by electrons is shown to be negligible except well below room temperature where it can lead to a significant reduction of the lattice thermal conductivity. This work highlights the power of ab initio approaches in giving quantitative, predictive descriptions of thermal transport in materials. It helps explain the qualitative disagreement that exists among different sets of measured thermal conductivity data and provides information of the relative quality of samples from which measured data was obtained.« less

  14. Some Aspects of Thermal Transport across the Interface between Graphene and Epoxy in Nanocomposites.

    PubMed

    Wang, Yu; Yang, Chunhui; Pei, Qing-Xiang; Zhang, Yingyan

    2016-03-01

    Owing to the superior thermal properties of graphene, graphene-reinforced polymer nanocomposites hold great potential as the thermal interface materials (TIMs) dissipating heat for electronic packages. However, this application is greatly hindered by the high thermal resistance at the interface between graphene and polymer. In this paper, some important aspects of the improvement of the thermal transport across the interface between graphene and epoxy in graphene-epoxy nanocomposites, including the effectiveness of covalent and noncovalent functionalization, isotope doping, and acetylenic linkage in graphene are systematically investigated using molecular dynamics (MD) simulations. The simulation results show that the covalent and noncovalent functionalization techniques could considerably reduce the graphene-epoxy interfacial thermal resistance in the nanocomposites. Among different covalent functional groups, butyl is more effective than carboxyl and hydroxyl in reducing the interfacial thermal resistance. Different noncovalent functional molecules, including 1-pyrenebutyl, 1-pyrenebutyric acid, and 1-pyrenebutylamine, yield a similar amount of reductions. Moreover, it is found that the graphene-epoxy interfacial thermal resistance is insensitive to the carbon isotope doping in graphene, while it can be reduced moderately by replacing the sp(2) bonds in graphene with acetylenic linkages.

  15. Enabling two-phase microfluidic thermal transport systems using a novel thermal-flux degassing and fluid charging approach

    NASA Astrophysics Data System (ADS)

    Singh Dhillon, Navdeep; Pisano, Albert P.

    2014-03-01

    A novel two-port thermal-flux method has been proposed and demonstrated for degassing and charging two-phase microfluidic thermal transport systems with a degassed working fluid. In microscale heat pipes and loop heat pipes (mLHPs), small device volumes and large capillary forces associated with smaller feature sizes render conventional vacuum pump-based degassing methods quite impractical. Instead, we employ a thermally generated pressure differential to purge non-condensable gases from these devices before charging them with a degassed working fluid in a two-step process. Based on the results of preliminary experiments studying the effectiveness and reliability of three different high temperature-compatible device packaging approaches, an optimized compression packaging technique was developed to degas and charge a mLHP device using the thermal-flux method. An induction heating-based noninvasive hermetic sealing approach for permanently sealing the degassed and charged mLHP devices has also been proposed. To demonstrate the efficacy of this approach, induction heating experiments were performed to noninvasively seal 1 mm square silicon fill-hole samples with donut-shaped solder preforms. The results show that the minimum hole sealing induction heating time is heat flux limited and can be estimated using a lumped capacitance thermal model. However, further continued heating of the solder uncovers the hole due to surface tension-induced contact line dynamics of the molten solder. It was found that an optimum mass of the solder preform is required to ensure a wide enough induction-heating time window for successful sealing of a fill-hole.

  16. Heat transport in oscillator chains with long-range interactions coupled to thermal reservoirs

    NASA Astrophysics Data System (ADS)

    Iubini, Stefano; Di Cintio, Pierfrancesco; Lepri, Stefano; Livi, Roberto; Casetti, Lapo

    2018-03-01

    We investigate thermal conduction in arrays of long-range interacting rotors and Fermi-Pasta-Ulam (FPU) oscillators coupled to two reservoirs at different temperatures. The strength of the interaction between two lattice sites decays as a power α of the inverse of their distance. We point out the necessity of distinguishing between energy flows towards or from the reservoirs and those within the system. We show that energy flow between the reservoirs occurs via a direct transfer induced by long-range couplings and a diffusive process through the chain. To this aim, we introduce a decomposition of the steady-state heat current that explicitly accounts for such direct transfer of energy between the reservoir. For 0 ≤α <1 , the direct transfer term dominates, meaning that the system can be effectively described as a set of oscillators each interacting with the thermal baths. Also, the heat current exchanged with the reservoirs depends on the size of the thermalized regions: In the case in which such size is proportional to the system size N , the stationary current is independent on N . For α >1 , heat transport mostly occurs through diffusion along the chain: For the rotors transport is normal, while for FPU the data are compatible with an anomalous diffusion, possibly with an α -dependent characteristic exponent.

  17. Heat transport in oscillator chains with long-range interactions coupled to thermal reservoirs.

    PubMed

    Iubini, Stefano; Di Cintio, Pierfrancesco; Lepri, Stefano; Livi, Roberto; Casetti, Lapo

    2018-03-01

    We investigate thermal conduction in arrays of long-range interacting rotors and Fermi-Pasta-Ulam (FPU) oscillators coupled to two reservoirs at different temperatures. The strength of the interaction between two lattice sites decays as a power α of the inverse of their distance. We point out the necessity of distinguishing between energy flows towards or from the reservoirs and those within the system. We show that energy flow between the reservoirs occurs via a direct transfer induced by long-range couplings and a diffusive process through the chain. To this aim, we introduce a decomposition of the steady-state heat current that explicitly accounts for such direct transfer of energy between the reservoir. For 0≤α<1, the direct transfer term dominates, meaning that the system can be effectively described as a set of oscillators each interacting with the thermal baths. Also, the heat current exchanged with the reservoirs depends on the size of the thermalized regions: In the case in which such size is proportional to the system size N, the stationary current is independent on N. For α>1, heat transport mostly occurs through diffusion along the chain: For the rotors transport is normal, while for FPU the data are compatible with an anomalous diffusion, possibly with an α-dependent characteristic exponent.

  18. A phase field approach for the fully coupled thermo-electro-mechanical dynamics of nanoscale ferroelectric actuators

    NASA Astrophysics Data System (ADS)

    Wang, Dan; Du, Haoyuan; Wang, Linxiang; Melnik, Roderick

    2018-05-01

    The fully coupled thermo-electro-mechanical properties of nanoscale ferroelectric actuators are investigated by a phase field model. Firstly, the thermal effect is incorporated into the commonly-used phase field model for ferroelectric materials in a thermodynamic consistent way and the governing equation for the temperature field is derived. Afterwards, the modified model is numerically implemented to study a selected prototype of the ferroelectric actuators, where strain associated with electric field-induced non-180° domain switching is employed. The temperature variation and energy flow in the actuation process are presented, which enhances our understanding of the working mechanism of the actuators. Furthermore, the influences of the input voltage frequency and the thermal boundary condition on the temperature variation are demonstrated and carefully discussed in the context of thermal management for real applications.

  19. Colloidal Synthesis of Te-Doped Bi Nanoparticles: Low-Temperature Charge Transport and Thermoelectric Properties.

    PubMed

    Gu, Da Hwi; Jo, Seungki; Jeong, Hyewon; Ban, Hyeong Woo; Park, Sung Hoon; Heo, Seung Hwae; Kim, Fredrick; Jang, Jeong In; Lee, Ji Eun; Son, Jae Sung

    2017-06-07

    Electronically doped nanoparticles formed by incorporation of impurities have been of great interest because of their controllable electrical properties. However, the development of a strategy for n-type or p-type doping on sub-10 nm-sized nanoparticles under the quantum confinement regime is very challenging using conventional processes, owing to the difficulty in synthesis. Herein, we report the colloidal chemical synthesis of sub-10 nm-sized tellurium (Te)-doped Bismuth (Bi) nanoparticles with precisely controlled Te content from 0 to 5% and systematically investigate their low-temperature charge transport and thermoelectric properties. Microstructural characterization of nanoparticles demonstrates that Te ions are successfully incorporated into Bi nanoparticles rather than remaining on the nanoparticle surfaces. Low-temperature Hall measurement results of the hot-pressed Te-doped Bi-nanostructured materials, with grain sizes ranging from 30 to 60 nm, show that the charge transport properties are governed by the doping content and the related impurity and nanoscale grain boundary scatterings. Furthermore, the low-temperature thermoelectric properties reveal that the electrical conductivity and Seebeck coefficient expectedly change with the Te content, whereas the thermal conductivity is significantly reduced by Te doping because of phonon scattering at the sites arising from impurities and nanoscale grain boundaries. Accordingly, the 1% Te-doped Bi sample exhibits a higher figure-of-merit ZT by ∼10% than that of the undoped sample. The synthetic strategy demonstrated in this study offers the possibility of electronic doping of various quantum-confined nanoparticles for diverse applications.

  20. The Quantum-to-Classical Transition in Strongly Interacting Nanoscale Systems

    NASA Astrophysics Data System (ADS)

    Benatov, Latchezar Latchezarov

    This thesis comprises two separate but related studies, dealing with two strongly interacting nanoscale systems on the border between the quantum and classical domains. In Part 1, we use a Born-Markov approximated master equation approach to study the symmetrized-in-frequency current noise spectrum and the oscillator steady state of a nanoelectromechanical system where a nanoscale resonator is coupled linearly via its momentum to a quantum point contact (QPC). Our current noise spectra exhibit clear signatures of the quantum correlations between the QPC current and the back-action force on the oscillator at a value of the relative tunneling phase where such correlations are expected to be maximized. We also show that the steady state of the oscillator obeys a classical Fokker-Planck equation, but can experience thermomechanical noise squeezing in the presence of a momentum-coupled detector bath and a position-coupled environmental bath. Besides, the full master equation clearly shows that half of the detector back-action is correlated with electron tunneling, indicating a departure from the model of the detector as an effective bath and suggesting that a future calculation valid at lower bias voltage, stronger tunneling and/or stronger coupling might reveal interesting quantum effects in the oscillator dynamics. In the second part of the thesis, we study the subsystem dynamics and thermalization of an oscillator-spin star model, where a nanomechanical resonator is coupled to a few two-level systems (TLS's). We use a fourth-order Runge-Kutta numerical algorithm to integrate the Schrodinger equation for the system and obtain our results. We find that the oscillator reaches a Boltzmann steady state when the TLS bath is initially in a thermal state at a temperature higher than the oscillator phonon energy. This occurs in both chaotic and integrable systems, and despite the small number of spins (only six) and the lack of couplings between them. At the same time, pure