WorldWideScience

Sample records for graphite force field

  1. Comparison of frictional forces on graphene and graphite

    International Nuclear Information System (INIS)

    Lee, Hyunsoo; Lee, Naesung; Seo, Yongho; Eom, Jonghwa; Lee, SangWook

    2009-01-01

    We report on the frictional force between an SiN tip and graphene/graphite surfaces using lateral force microscopy. The cantilever we have used was made of an SiN membrane and has a low stiffness of 0.006 N m -1 . We prepared graphene flakes on a Si wafer covered with silicon oxides. The frictional force on graphene was smaller than that on the Si oxide and larger than that on graphite (multilayer of graphene). Force spectroscopy was also employed to study the van der Waals force between the graphene and the tip. Judging that the van der Waals force was also in graphite-graphene-silicon oxide order, the friction is suspected to be related to the van der Waals interactions. As the normal force acting on the surface was much weaker than the attractive force, such as the van der Waals force, the friction was independent of the normal force strength. The velocity dependency of the friction showed a logarithmic behavior which was attributed to the thermally activated stick-slip effect.

  2. Field emission from the surface of highly ordered pyrolytic graphite

    Energy Technology Data Exchange (ETDEWEB)

    Knápek, Alexandr, E-mail: knapek@isibrno.cz [Institute of Scientific Instruments of the ASCR, v.v.i., Královopolská 147, Brno (Czech Republic); Sobola, Dinara; Tománek, Pavel [Department of Physics, FEEC, Brno University of Technology, Technická 8, Brno (Czech Republic); Pokorná, Zuzana; Urbánek, Michal [Institute of Scientific Instruments of the ASCR, v.v.i., Královopolská 147, Brno (Czech Republic)

    2017-02-15

    Highlights: • HOPG shreds were created and analyzed in the UHV conditions. • Current-voltage measurements have been done to confirm electron tunneling, based on the Fowler-Nordheim theory. • Surface was characterized by other surface evaluation methods, in particular by: SNOM, SEM and AFM. - Abstract: This paper deals with the electrical characterization of highly ordered pyrolytic graphite (HOPG) surface based on field emission of electrons. The effect of field emission occurs only at disrupted surface, i.e. surface containing ripped and warped shreds of the uppermost layers of graphite. These deformations provide the necessary field gradients which are required for measuring tunneling current caused by field electron emission. Results of the field emission measurements are correlated with other surface characterization methods such as scanning near-field optical microscopy (SNOM) or atomic force microscopy.

  3. Field emission from the surface of highly ordered pyrolytic graphite

    International Nuclear Information System (INIS)

    Knápek, Alexandr; Sobola, Dinara; Tománek, Pavel; Pokorná, Zuzana; Urbánek, Michal

    2017-01-01

    Highlights: • HOPG shreds were created and analyzed in the UHV conditions. • Current-voltage measurements have been done to confirm electron tunneling, based on the Fowler-Nordheim theory. • Surface was characterized by other surface evaluation methods, in particular by: SNOM, SEM and AFM. - Abstract: This paper deals with the electrical characterization of highly ordered pyrolytic graphite (HOPG) surface based on field emission of electrons. The effect of field emission occurs only at disrupted surface, i.e. surface containing ripped and warped shreds of the uppermost layers of graphite. These deformations provide the necessary field gradients which are required for measuring tunneling current caused by field electron emission. Results of the field emission measurements are correlated with other surface characterization methods such as scanning near-field optical microscopy (SNOM) or atomic force microscopy.

  4. AC induction field heating of graphite foam

    Science.gov (United States)

    Klett, James W.; Rios, Orlando; Kisner, Roger

    2017-08-22

    A magneto-energy apparatus includes an electromagnetic field source for generating a time-varying electromagnetic field. A graphite foam conductor is disposed within the electromagnetic field. The graphite foam when exposed to the time-varying electromagnetic field conducts an induced electric current, the electric current heating the graphite foam. An energy conversion device utilizes heat energy from the heated graphite foam to perform a heat energy consuming function. A device for heating a fluid and a method of converting energy are also disclosed.

  5. London forces in highly oriented pyrolytic graphite

    Directory of Open Access Journals (Sweden)

    L.V. Poperenko

    2017-07-01

    Full Text Available Surface of highly oriented pyrolytic graphite with terrace steps was studied using scanning tunneling microscopy with high spatial resolution. Spots with positive and negative charges were found in the vicinity of the steps. Values of the charges depended both on the microscope needle scan velocity and on its motion direction. The observed effect was theoretically explained with account of London forces that arise between the needle tip and the graphite surface. In this scheme, a terrace step works as a nanoscale diode for surface electric currents.

  6. Graphene-graphite oxide field-effect transistors.

    Science.gov (United States)

    Standley, Brian; Mendez, Anthony; Schmidgall, Emma; Bockrath, Marc

    2012-03-14

    Graphene's high mobility and two-dimensional nature make it an attractive material for field-effect transistors. Previous efforts in this area have used bulk gate dielectric materials such as SiO(2) or HfO(2). In contrast, we have studied the use of an ultrathin layered material, graphene's insulating analogue, graphite oxide. We have fabricated transistors comprising single or bilayer graphene channels, graphite oxide gate insulators, and metal top-gates. The graphite oxide layers show relatively minimal leakage at room temperature. The breakdown electric field of graphite oxide was found to be comparable to SiO(2), typically ~1-3 × 10(8) V/m, while its dielectric constant is slightly higher, κ ≈ 4.3. © 2012 American Chemical Society

  7. In situ electrochemical atomic force microscope study on graphite electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Hirasawa, K.A.; Sato, Tomohiro; Asahina, Hitoshi; Yamaguchi, Shoji; Mori, Shoichiro [Mitsubishi Chemical Corp., Inashiki, Ibaraki (Japan). Tsukuba Research Center

    1997-04-01

    Interest in the formation of the solid electrolyte interphase (SEI) film on graphite electrodes has increased recently in the quest to improve the performance of lithium-ion batteries. Topographic and frictional changes on the surface of a highly oriented pyrolytic graphite electrode in 1 M LiCiO{sub 4} ethylene carbonate/ethylmethyl carbonate (1:1) electrolyte were examined during charge and discharge by in situ electrochemical atomic force microscopy and friction force microscopy simultaneously in real-time. Solid electrolyte interphase film formation commenced at approximately 2 V vs. Li/Li{sup +} and stable film formation with an island-like morphology was observed below approximately 0.9 V vs. Li/Li{sup +}. Further experiments on a KS-44 graphite/polyvinylidene difluoride binder composite electrode showed similar phenomena.

  8. Multi-Stage Flotation for the Removal of Ash from Fine Graphite Using Mechanical and Centrifugal Forces

    OpenAIRE

    Xiangning Bu; Tuantuan Zhang; Yaoli Peng; Guangyuan Xie; Erdong Wu

    2018-01-01

    Graphite ore collected from Hunan province, south China was characterized by chemical analysis, X-ray diffraction, and optical microscopy. Rougher and multi-stage flotation tests using a mechanical flotation cell and a flotation column containing an additional centrifugal force field were carried out to promote its grade and economic value. In rougher flotation, both the mechanical flotation cell and flotation column reduced the ash content of the graphite ore from 15.43% to 10.8%, while the ...

  9. Influence of the forces on the adhesion behavior of graphite dust in HTGR

    International Nuclear Information System (INIS)

    Peng Wei; Sun Xiaokai; Zhang Tianqi; Yu Suyuan

    2015-01-01

    The behavior of the graphite dust is important to the safety of High Temperature Gas-cooled Reactors. The present study focuses on the forces which make the graphite dust attach or detach from the surface in HTGR. The effect of graphite dust size, the fluid velocity and the surface energy between the particles and the substrate were investigated. The result showed that van der Waals adhesion force is the main factors affecting the dust attach on the surface, the gravity force and the electrostatic force were much smaller than it. For small particles, both the aerodynamic lift and drag are smaller than van der Waals adhesion force. While for the large particles, the coupled effects of aerodynamic lift and drag can make the dust detach from the substrate easier. Both the aerodynamic lift and drag forces will increase quickly as the fluid velocity increases. The surface energy is an important parameter for van der Waals adhesion force, which will decrease as the surface energy decreases. (author)

  10. Investigation of graphite composite anodes surfaces by atomic force microscopy and related techniques

    Energy Technology Data Exchange (ETDEWEB)

    Hirasawa, Karen Akemi; Nishioka, Keiko; Sato, Tomohiro; Yamaguchi, Shoji; Mori, Shoichiro [Mitsubishi Chemical Corp., Tsukuba Research Center, Ibaraki (Japan)

    1997-11-01

    The surface of a synthetic graphite (KS-44) and polyvinylidene difluoride binder (PVDF) anode for lithium-ion secondary batteries is imaged using atomic force microscopy (AFM) and several related scanning probe microscope (SPM) instruments including: dynamic force microscopy (DFM), friction force microscopy (FFM), laterally-modulated friction force microscopy (LM-FFM), visco-elasticity atomic force microscopy (VE-AFM), and AFM/simultaneous current measurement mode (SCM). DFM is found to be an exceptional mode for topographic imaging while FFM results in the clearest contrast distinction between PVDF binder and KS-44 graphite regions. (orig.)

  11. Electrostatic force microscopy on oriented graphite surfaces: coexistence of insulating and conducting behaviors.

    Science.gov (United States)

    Lu, Yonghua; Muñoz, M; Steplecaru, C S; Hao, Cheng; Bai, Ming; Garcia, N; Schindler, K; Esquinazi, P

    2006-08-18

    We present measurements of the electric potential fluctuations on the surface of highly oriented pyrolytic graphite using electrostatic force and atomic force microscopy. Micrometric domainlike potential distributions are observed even when the sample is grounded. Such potential distributions are unexpected given the good metallic conductivity of graphite because the surface should be an equipotential. Our results indicate the coexistence of regions with "metalliclike" and "insulatinglike" behaviors showing large potential fluctuations of the order of 0.25 V. In lower quality graphite, this effect is not observed. Experiments are performed in Ar and air atmospheres.

  12. Influence of electromagnetic field parameters on the morphology of graphite in grey cast iron

    Directory of Open Access Journals (Sweden)

    J. Szajnar

    2009-01-01

    Full Text Available One way to improve the unification of the casting structure may be the application of forced convection of liquid metal during thecrystallization in the form or continuous casting mould. This paper presents the results describing the influence of selected parameters of rotating electromagnetic field enforcing the movement of liquid metal in the form on the morphology of graphite in grey cast iron. The results were fragmented graphite flakes in conditions of regulating the rate of cooling in the range of temperature TZAL

  13. Product Evaluation Task Force Phase Two report for CAGR graphite

    International Nuclear Information System (INIS)

    Francis, A.J.; Davies, A.

    1991-01-01

    It has been proposed that all Intermediate Level Wastes arising at Sellafield should be encapsulated prior to ultimate disposal. The Product Evaluation Task Force (PETF) was set up to investigate possible encapsulants and to produce an adequate data base to justify the preferred matrices. This report details the work carried out under Phase 2 of the Product Evaluation Task Force programme, on CAGR graphite. Three possible types of encapsulants for CAGR graphites:-Inorganic cements, Polymer cements and Polymers are evaluated using the Kepner Tregoe decision analysis technique. This technique provides a methodology for scoring and ranking alternative options and evaluating any risks associated with an option. The analysis shows that for all four stages of waste management operations ie Storage, Transport, handling and emplacement, Disposal and Process, cement matrices are considerably superior to other potential matrices. A matrix, consisting of three parts Blast Furnace Slag (BFS) to one part Ordinary Portland Cement (OPC) is recommended as the preferred matrix for Phase 3 studies on CAGR graphite. (author)

  14. Infrared signal generation from AC induction field heating of graphite foam

    Science.gov (United States)

    Klett, James W.; Rios, Orlando

    2018-02-27

    A magneto-energy apparatus includes an electromagnetic field source for generating a time-varying electromagnetic field. A graphite foam conductor is disposed within the electromagnetic field. The graphite foam when exposed to the time-varying electromagnetic field conducts an induced electric current, the electric current heating the graphite foam to produce light. An energy conversion device utilizes light energy from the heated graphite foam to perform a light energy consuming function. A device for producing light and a method of converting energy are also disclosed.

  15. Multi-Stage Flotation for the Removal of Ash from Fine Graphite Using Mechanical and Centrifugal Forces

    Directory of Open Access Journals (Sweden)

    Xiangning Bu

    2018-01-01

    Full Text Available Graphite ore collected from Hunan province, south China was characterized by chemical analysis, X-ray diffraction, and optical microscopy. Rougher and multi-stage flotation tests using a mechanical flotation cell and a flotation column containing an additional centrifugal force field were carried out to promote its grade and economic value. In rougher flotation, both the mechanical flotation cell and flotation column reduced the ash content of the graphite ore from 15.43% to 10.8%, while the yield of the flotation column (91.41% was much higher than that of the mechanical flotation cell (50%. In the presence of hydrophobic graphite, the seriously entrained gangue restricted further improvement in the quality and economic value of the graphite ore. Therefore, multi-stage flotation circuits were employed to diminish this entrainment. Multi-stage flotation circuits using the two flotation devices further decreased the ash content of the graphite ore to ~8%, while the yield when using the flotation column was much higher than that obtained from the mechanical flotation cell employed. On the other hand, the ash removal efficiency of the flotation column was 3.82-fold higher than that observed for the mechanical flotation cell. The Cleaner 3 flotation circuit using the flotation column decreased the ash content in graphite from 15.43% to 7.97% with a yield of 77.53%.

  16. Atomic force microscopy study of anion intercalation into highly oriented pyrolytic graphite

    Energy Technology Data Exchange (ETDEWEB)

    Alliata, D; Haering, P; Haas, O; Koetz, R [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Siegenthaler, H [University of Berne (Switzerland)

    1999-08-01

    In the context of ion transfer batteries, we studied highly oriented pyrolytic graphite (HOPG) in perchloric acid, as a model to elucidate the mechanism of electrochemical intercalation in graphite. Aim of the work is the local and time dependent investigation of dimensional changes of the host material during electrochemical intercalation processes on the nanometer scale. We used atomic force microscopy (AFM), combined with cyclic voltammetry, as in-situ tool of analysis during intercalation and expulsion of perchloric anions into the HOPG electrodes. According to the AFM measurements, the HOPG interlayer spacing increases by 32% when perchloric anions intercalate, in agreement with the formation of stage IV of graphite intercalation compounds. (author) 3 figs., 3 refs.

  17. On the low-field Hall coefficient of graphite

    Directory of Open Access Journals (Sweden)

    P. Esquinazi

    2014-11-01

    Full Text Available We have measured the temperature and magnetic field dependence of the Hall coefficient (RH in three, several micrometer long multigraphene samples of thickness between ∼9 to ∼30 nm in the temperature range 0.1 to 200 K and up to 0.2 T field. The temperature dependence of the longitudinal resistance of two of the samples indicates the contribution from embedded interfaces running parallel to the graphene layers. At low enough temperatures and fields RH is positive in all samples, showing a crossover to negative values at high enough fields and/or temperatures in samples with interfaces contribution. The overall results are compatible with the reported superconducting behavior of embedded interfaces in the graphite structure and indicate that the negative low magnetic field Hall coefficient is not intrinsic of the ideal graphite structure.

  18. Special graphites; Graphites speciaux

    Energy Technology Data Exchange (ETDEWEB)

    Leveque, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    A large fraction of the work undertaken jointly by the Commissariat a l'Energie Atomique (CEA) and the Pechiney Company has been the improvement of the properties of nuclear pile graphite and the opening up of new fields of graphite application. New processes for the manufacture of carbons and special graphites have been developed: forged graphite, pyro-carbons, high density graphite agglomeration of graphite powders by cracking of natural gas, impervious graphites. The physical properties of these products and their reaction with various oxidising gases are described. The first irradiation results are also given. (authors) [French] Ameliorer les proprietes du graphite nucleaire pour empilements et ouvrir de nouveaux domaines d'application au graphite constituent une part importante de l'effort entrepris en commun par le Commissariat a l'Energie Atomique (CEA) et la compagnie PECHINEY. Des procedes nouveaux de fabrication de carbones et graphites speciaux ont ete mis au point: graphite forge, pyrocarbone, graphite de haute densite, agglomeration de poudres de graphite par craquage de gaz naturel, graphites impermeables. Les proprietes physiques de ces produits ainsi que leur reaction avec differents gaz oxydants sont decrites. Les premiers resultats d'irradiation sont aussi donnes. (auteurs)

  19. Near-field thermal radiation between hyperbolic metamaterials: Graphite and carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, X. L.; Zhang, R. Z.; Zhang, Z. M., E-mail: zhuomin.zhang@me.gatech.edu [G. W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

    2013-11-18

    The near-field radiative heat transfer for two hyperbolic metamaterials, namely, graphite and vertically aligned carbon nanotubes (CNTs), is investigated. Graphite is a naturally existing uniaxial medium, while CNT arrays can be modeled as an effective anisotropic medium. Different hyperbolic modes can be separately supported by these materials in certain infrared regions, resulting in a strong enhancement in near-field heat transfer. It is predicted that the heat flux between two CNT arrays can exceed that between SiC plates at any vacuum gap distance and is about 10 times higher with a 10 nm gap.

  20. Special graphites

    International Nuclear Information System (INIS)

    Leveque, P.

    1964-01-01

    A large fraction of the work undertaken jointly by the Commissariat a l'Energie Atomique (CEA) and the Pechiney Company has been the improvement of the properties of nuclear pile graphite and the opening up of new fields of graphite application. New processes for the manufacture of carbons and special graphites have been developed: forged graphite, pyro-carbons, high density graphite agglomeration of graphite powders by cracking of natural gas, impervious graphites. The physical properties of these products and their reaction with various oxidising gases are described. The first irradiation results are also given. (authors) [fr

  1. Laminated exfoliated graphite composite-metal compositions for fuel cell flow field plate or bipolar plate applications

    Science.gov (United States)

    Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z

    2014-05-20

    An electrically conductive laminate composition for fuel cell flow field plate or bipolar plate applications. The laminate composition comprises at least a thin metal sheet having two opposed exterior surfaces and a first exfoliated graphite composite sheet bonded to the first of the two exterior surfaces of the metal sheet wherein the exfoliated graphite composite sheet comprises: (a) expanded or exfoliated graphite and (b) a binder or matrix material to bond the expanded graphite for forming a cohered sheet, wherein the binder or matrix material is between 3% and 60% by weight based on the total weight of the first exfoliated graphite composite sheet. Preferably, the first exfoliated graphite composite sheet further comprises particles of non-expandable graphite or carbon in the amount of between 3% and 60% by weight based on the total weight of the non-expandable particles and the expanded graphite. Further preferably, the laminate comprises a second exfoliated graphite composite sheet bonded to the second surface of the metal sheet to form a three-layer laminate. Surface flow channels and other desired geometric features can be built onto the exterior surfaces of the laminate to form a flow field plate or bipolar plate. The resulting laminate has an exceptionally high thickness-direction conductivity and excellent resistance to gas permeation.

  2. Evaluation of cutting force and surface roughness in high-speed milling of compacted graphite iron

    Directory of Open Access Journals (Sweden)

    Azlan Suhaimi Mohd

    2017-01-01

    Full Text Available Compacted Graphite Iron, (CGI is known to have outstanding mechanical strength and weight-to-strength ratio as compared to conventional grey cast iron, (CI. The outstanding characteristics of CGI is due to its graphite particle shape, which is presented as compacted vermicular particle. The graphite is interconnected with random orientation and round edges, which results in higher mechanical strength. Whereas, graphite in the CI consists of a smooth-surfaced flakes that easily propagates cracks which results in weaker and brittle properties as compared to CGI. Owing to its improved properties, CGI is considered as the best candidate material in substituting grey cast iron that has been used in engine block applications for years. However, the smooth implementation of replacing CI with CGI has been hindered due to the poor machinability of CGI especially at high cutting speed. The tool life is decreased by 20 times when comparing CGI with CI under the same cutting condition. This study investigates the effect of using cryogenic cooling and minimum quantity lubrication (MQL during high-speed milling of CGI (grade 450. Results showed that, the combination of internal cryogenic cooling and enhanced MQL improved the tool life, cutting force and surface quality as compared to the conventional flood coolant strategy during high-speed milling of CGI.

  3. Forces in electromagnetic field and gravitational field

    OpenAIRE

    Weng, Zihua

    2008-01-01

    The force can be defined from the linear momentum in the gravitational field and electromagnetic field. But this definition can not cover the gradient of energy. In the paper, the force will be defined from the energy and torque in a new way, which involves the gravitational force, electromagnetic force, inertial force, gradient of energy, and some other new force terms etc. One of these new force terms can be used to explain why the solar wind varies velocity along the magnetic force line in...

  4. Formation, characterization and dynamics of onion like carbon structures from nanodiamonds using reactive force-fields for electrical energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Ganesh, Panchapakesan [ORNL; Kent, Paul R [ORNL; Mochalin, Vadym N [ORNL

    2011-01-01

    We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbon nanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core of the nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbon nanostructure appears, with a shell-shell spacing of about {approx}3.4 {angstrom} for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large ({approx}29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.

  5. Formation, characterization, and dynamics of onion-like carbon structures for electrical energy storage from nanodiamonds using reactive force fields

    Energy Technology Data Exchange (ETDEWEB)

    Ganesh, P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science; Kent, P. R. C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science; Mochalin, V. [Drexel Univ., Philadelphia, PA (United States). Dept. of Materials Science and Engineering

    2011-10-01

    We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbonnanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core of the nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbonnanostructure appears, with a shell-shell spacing of about ~3.4 Å for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large (~29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.

  6. Local Magnetic Measurements of Trapped Flux Through a Permanent Current Path in Graphite

    Science.gov (United States)

    Stiller, Markus; Esquinazi, Pablo D.; Quiquia, José Barzola; Precker, Christian E.

    2018-04-01

    Temperature- and field-dependent measurements of the electrical resistance of different natural graphite samples suggest the existence of superconductivity at room temperature in some regions of the samples. To verify whether dissipationless electrical currents are responsible for the trapped magnetic flux inferred from electrical resistance measurements, we localized them using magnetic force microscopy on a natural graphite sample in remanent state after applying a magnetic field. The obtained evidence indicates that at room temperature a permanent current flows at the border of the trapped flux region. The current path vanishes at the same transition temperature T_c≈ 370 K as the one obtained from electrical resistance measurements on the same sample. This sudden decrease in the phase is different from what is expected for a ferromagnetic material. Time-dependent measurements of the signal show the typical behavior of flux creep of a permanent current flowing in a superconductor. The overall results support the existence of room-temperature superconductivity at certain regions in the graphite structure and indicate that magnetic force microscopy is suitable to localize them. Magnetic coupling is excluded as origin of the observed phase signal.

  7. Electron paramagnetic resonance field-modulation eddy-current analysis of silver-plated graphite resonators

    Science.gov (United States)

    Mett, Richard R.; Anderson, James R.; Sidabras, Jason W.; Hyde, James S.

    2005-09-01

    Magnetic field modulation is often introduced into a cylindrical TE011 electron paramagnetic resonance (EPR) cavity through silver plating over a nonconductive substrate. The plating thickness must be many times the skin depth of the rf and smaller than the skin depth of the modulation. We derive a parameter that quantifies the modulation field penetration and find that it also depends on resonator dimensions. Design criteria based on this parameter are presented graphically. This parameter is then used to predict the behavior of eddy currents in substrates of moderate conductivity, such as graphite. The conductivity of the graphite permits improved plating uniformity and permits use of electric discharge machining (EDM) techniques to make the resonator. EDM offers precision tolerances of 0.005 mm and is suitable for small, complicated shapes that are difficult to machine by other methods. Analytic predictions of the modulation penetration are compared with the results of finite-element simulations. Simulated magnetic field modulation uniformity and penetration are shown for several elemental coils and structures including the plated graphite TE011 cavity. Fabrication and experimental testing of the structure are discussed. Spatial inhomogeneity of the modulation phase is also investigated by computer simulation. We find that the modulation phase is uniform to within 1% over the TE011 cavity. Structures of lower symmetry have increased phase nonuniformity.

  8. Electronic properties of graphite

    International Nuclear Information System (INIS)

    Schneider, J.

    2010-10-01

    In this thesis, low-temperature magneto-transport (T ∼ 10 mK) and the de Haas-van Alphen effect of both natural graphite and highly oriented pyrolytic graphite (HOPG) are examined. In the first part, low field magneto-transport up to B = 11 T is discussed. A Fourier analysis of the background removed signal shows that the electric transport in graphite is governed by two types of charge carriers, electrons and holes. Their phase and frequency values are in agreement with the predictions of the SWM-model. The SWM-model is confirmed by detailed band structure calculations using the magnetic field Hamiltonian of graphite. The movement of the Fermi at B > 2 T is calculated self-consistently assuming that the sum of the electron and hole concentrations is constant. The second part of the thesis deals with high field magneto-transport of natural graphite in the magnetic field range 0 ≤ B ≤ 28 T. Both spin splitting of magneto-transport features in tilted field configuration and the onset of the charge density wave (CDW) phase for different temperatures with the magnetic field applied normal to the sample plane are discussed. Concerning the Zeeman effect, the SWM calculations including the Fermi energy movement require a g-factor of g* equal to 2.5 ± 0.1 to reproduce the spin spilt features. The measurements of the charge density wave state confirm that its onset magnetic field can be described by a Bardeen-Cooper-Schrieffer (BCS)-type formula. The measurements of the de Haas-van Alphen effect are in agreement with the results of the magneto-transport measurements at low field. (author)

  9. STS Observations of Landau Levels at Graphite Surfaces

    OpenAIRE

    Matsui, T.; Kambara, H.; Niimi, Y.; Tagami, K.; Tsukada, M.; Fukuyama, Hiroshi

    2004-01-01

    Scanning tunneling spectroscopy measurements were made on surfaces of two different kinds of graphite samples, Kish graphite and highly oriented pyrolytic graphite (HOPG), at very low temperatures and in high magnetic fields. We observed a series of peaks in the tunnel spectra, which grow with increasing field, both at positive and negative bias voltages. These are associated with Landau quantization of the quasi two-dimensional electrons and holes in graphite in magnetic fields perpendicular...

  10. Nuclear graphite wear properties and estimation of graphite dust production in HTR-10

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Xiaowei, E-mail: xwluo@tsinghua.edu.cn; Wang, Xiaoxin; Shi, Li; Yu, Xiaoyu; Yu, Suyuan

    2017-04-15

    Highlights: • Graphite dust. • The wear properties of graphite. • Pebble bed. • High Temperature Gas-cooled Reactor. • Fuel element. - Abstract: The issue of the graphite dust has been a research focus for the safety of High Temperature Gas-cooled Reactors (HTGRs), especially for the pebble bed reactors. Most of the graphite dust is produced from the wear of fuel elements during cycling of fuel elements. However, due to the complexity of the motion of the fuel elements in the pebble bed, there is no systematic method developed to predict the amount the graphite dust in a pebble bed reactor. In this paper, the study of the flow of the fuel elements in the pebble bed was carried out. Both theoretical calculation and numerical analysis by Discrete Element Method (DEM) software PFC3D were conducted to obtain the normal forces and sliding distances of the fuel elements in pebble bed. The wearing theory was then integrated with PFC3D to estimate the amount of the graphite dust in a pebble bed reactor, 10 MW High Temperature gas-cooled test Reactor (HTR-10).

  11. Electrostatic Manipulation of Graphene On Graphite

    Science.gov (United States)

    Untiedt, Carlos; Rubio-Verdu, Carmen; Saenz-Arce, Giovanni; Martinez-Asencio, Jesús; Milan, David C.; Moaied, Mohamed; Palacios, Juan J.; Caturla, Maria Jose

    2015-03-01

    Here we report the use of a Scanning Tunneling Microscope (STM) under ambient and vacuum conditions to study the controlled exfoliation of the last layer of a graphite surface when an electrostatic force is applied from a STM tip. In this work we have focused on the study of two parameters: the applied voltage needed to compensate the graphite interlayer attractive force and the one needed to break atomic bonds to produce folded structures. Additionally, we have studied the influence of edge structure in the breaking geometry. Independently of the edge orientation the graphite layer is found to tear through the zig-zag direction and the lifled layer shows a zig-zag folding direction. Molecular Dinamics simulations and DFT calculations have been performed to understand our results, showing a strong correlation with the experiments. Comunidad Valenciana through Prometeo project.

  12. Laser surface graphitization to control friction of diamond-like carbon coatings

    Science.gov (United States)

    Komlenok, Maxim S.; Kononenko, Vitaly V.; Zavedeev, Evgeny V.; Frolov, Vadim D.; Arutyunyan, Natalia R.; Chouprik, Anastasia A.; Baturin, Andrey S.; Scheibe, Hans-Joachim; Shupegin, Mikhail L.; Pimenov, Sergei M.

    2015-11-01

    To study the role of laser surface graphitization in the friction behavior of laser-patterned diamond-like carbon (DLC) films, we apply the scanning probe microscopy (SPM) in the lateral force mode (LFM) which allows to obtain simultaneously the lateral force and topography images and to determine local friction levels in laser-irradiated and original surface areas. Based on this approach in the paper, we report on (1) laser surface microstructuring of hydrogenated a-C:H and hydrogen-free ta-C films in the regime of surface graphitization using UV laser pulses of 20-ns duration and (2) correlation between the structure and friction properties of the laser-patterned DLC surface on micro/nanoscale using SPM/LFM technique. The SPM/LFM data obtained for the surface relief gratings of graphitized microstructures have evidenced lower friction forces in the laser-graphitized regions. For the hydrogenated DLC films, the reversible frictional behavior of the laser-graphitized micropatterns is found to take place during LFM imaging at different temperatures (20 and 120 °C) in ambient air. It is revealed that the lateral force distribution in the laser-graphitized areas is shifted to higher friction levels (relative to that of the unirradiated surface) at temperature 120 °C and returned back to the lower friction during the sample cooling to 20 °C, thus confirming an influence of adsorbed water layers on the nanofriction properties of laser-graphitized micropatterns on the film surface.

  13. Brazing graphite to graphite

    International Nuclear Information System (INIS)

    Peterson, G.R.

    1976-01-01

    Graphite is joined to graphite by employing both fine molybdenum powder as the brazing material and an annealing step that together produce a virtually metal-free joint exhibiting properties similar to those found in the parent graphite. Molybdenum powder is placed between the faying surfaces of two graphite parts and melted to form molybdenum carbide. The joint area is thereafter subjected to an annealing operation which diffuses the carbide away from the joint and into the graphite parts. Graphite dissolved by the dispersed molybdenum carbide precipitates into the joint area, replacing the molybdenum carbide to provide a joint of graphite

  14. The Martini Coarse-Grained Force Field

    NARCIS (Netherlands)

    Periole, X.; Marrink, S.J.; Monticelli, Luca; Salonen, Emppu

    2013-01-01

    The Martini force field is a coarse-grained force field suited for molecular dynamics simulations of biomolecular systems. The force field has been parameterized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical

  15. Consistent force fields for saccharides

    DEFF Research Database (Denmark)

    Rasmussen, Kjeld

    1999-01-01

    Consistent force fields for carbohydrates were hitherto developed by extensive optimization ofpotential energy function parameters on experimental data and on ab initio results. A wide range of experimental data is used: internal structures obtained from gas phase electron diffraction and from x......-anomeric effects are accounted for without addition of specific terms. The work is done in the framework of the Consistent Force Field which originatedin Israel and was further developed in Denmark. The actual methods and strategies employed havebeen described previously. Extensive testing of the force field...

  16. Superconductivity in graphite intercalation compounds

    International Nuclear Information System (INIS)

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P.M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-01-01

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC 6 and YbC 6 in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition

  17. Superconductivity in graphite intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Robert P. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Weller, Thomas E.; Howard, Christopher A. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Dean, Mark P.M. [Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973 (United States); Rahnejat, Kaveh C. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Saxena, Siddharth S. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Ellerby, Mark, E-mail: mark.ellerby@ucl.ac.uk [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom)

    2015-07-15

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC{sub 6} and YbC{sub 6} in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  18. Graphene nanosheets preparation using magnetic nanoparticle assisted liquid phase exfoliation of graphite: The coupled effect of ultrasound and wedging nanoparticles.

    Science.gov (United States)

    Hadi, Alireza; Zahirifar, Jafar; Karimi-Sabet, Javad; Dastbaz, Abolfazl

    2018-06-01

    This study aims to investigate a novel technique to improve the yield of liquid phase exfoliation of graphite to graphene sheets. The method is based on the utilization of magnetic Fe 3 O 4 nanoparticles as "particle wedge" to facilitate delamination of graphitic layers. Strong shear forces resulted from the collision of Fe 3 O 4 particles with graphite particles, and intense ultrasonic waves lead to enhanced exfoliation of graphite. High quality of graphene sheets along with the ease of Fe 3 O 4 particle separation from graphene solution which arises from the magnetic nature of Fe 3 O 4 nanoparticles are the unique features of this approach. Initial graphite flakes and produced graphene sheets were characterized by various methods including field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), Raman spectroscopy, atomic force microscopy (AFM), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and Zeta potential analysis. Moreover, the effect of process factors comprising initial graphite concentration, Fe 3 O 4 nanoparticles concentration, sonication time, and sonication power were investigated. Results revealed that graphene preparation yield and the number of layers could be manipulated by the presence of magnetic nanoparticles. Copyright © 2018 Elsevier B.V. All rights reserved.

  19. Deriving force field parameters for coordination complexes

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Brandt, Peter

    2001-01-01

    The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters......, and validate the final force field, Alternatives to force field derivation are discussed briefly....

  20. R and D and maintenance on graphite tile of divertor region at EAST

    International Nuclear Information System (INIS)

    Ji, X.; Song, Y.T.; Wu, S.T.; Hao, J.; Du, S.; Peng, Y.; Cao, L.; Wang, S.

    2012-01-01

    Highlights: ► Find out the reason of damage of graphite tile. ► Simulation the halo current. ► Stress analysis of graphite tile by ANSYS. ► Do the experiments to test the strength of graphite tile. ► Do the optimization and maintenance of graphite tile. - Abstract: EAST, with full superconducting magnetic coils, had been designed and constructed to address the scientific and engineering issues under steady state operation. The in-vessel components are full graphite tiles as first wall had been operated successfully. In the experiment campaign of 2010, the H mode operation and 1 MA operation have been gotten on EAST. However, in some case, some of the graphite tiles of divertor region are damaged with the plasma parameter enhanced. As most of the damaged graphite tiles are in the divertor region, they are probably damaged by the electro-magnetic force of the halo current when the VDEs occur. The force of the halo current is re-estimated. The structure analysis has been done by the ANSYS software. From the analysis result. It can be obtained that the stress is larger than the allowable stress when the halo current on the graphite tile is larger than 2.7 kA. The tensile testing of the graphite also has been done. As the result, the graphite tiles are damaged when the forces are up to 2400 N. To deal with the problem, two proposes are accepted. In the one hand, the new type graphite material is used, whose tensile strength is up to 45 MPa. In the other hand, the structure of the graphite tiles is optimized.

  1. Polarization effects in molecular mechanical force fields

    Energy Technology Data Exchange (ETDEWEB)

    Cieplak, Piotr [Burnham Institute for Medical Research, 10901 North Torrey Pines Road, La Jolla, CA 92120 (United States); Dupradeau, Francois-Yves [UMR CNRS 6219-Faculte de Pharmacie, Universite de Picardie Jules Verne, 1 rue des Louvels, F-80037 Amiens (France); Duan, Yong [Genome Center and Department of Applied Science, University of California, Davis, One Shields Avenue, Davis, CA 95616 (United States); Wang Junmei, E-mail: pcieplak@burnham.or [Department of Pharmacology, University of Texas Southwestern Medical Center, 6001 Forest Park Boulevard, ND9.136, Dallas, TX 75390-9050 (United States)

    2009-08-19

    The focus here is on incorporating electronic polarization into classical molecular mechanical force fields used for macromolecular simulations. First, we briefly examine currently used molecular mechanical force fields and the current status of intermolecular forces as viewed by quantum mechanical approaches. Next, we demonstrate how some components of quantum mechanical energy are effectively incorporated into classical molecular mechanical force fields. Finally, we assess the modeling methods of one such energy component-polarization energy-and present an overview of polarizable force fields and their current applications. Incorporating polarization effects into current force fields paves the way to developing potentially more accurate, though more complex, parameterizations that can be used for more realistic molecular simulations. (topical review)

  2. Interface structure between tetraglyme and graphite

    Science.gov (United States)

    Minato, Taketoshi; Araki, Yuki; Umeda, Kenichi; Yamanaka, Toshiro; Okazaki, Ken-ichi; Onishi, Hiroshi; Abe, Takeshi; Ogumi, Zempachi

    2017-09-01

    Clarification of the details of the interface structure between liquids and solids is crucial for understanding the fundamental processes of physical functions. Herein, we investigate the structure of the interface between tetraglyme and graphite and propose a model for the interface structure based on the observation of frequency-modulation atomic force microscopy in liquids. The ordering and distorted adsorption of tetraglyme on graphite were observed. It is found that tetraglyme stably adsorbs on graphite. Density functional theory calculations supported the adsorption structure. In the liquid phase, there is a layered structure of the molecular distribution with an average distance of 0.60 nm between layers.

  3. Recent developments in graphite

    International Nuclear Information System (INIS)

    Cunningham, J.E.

    1983-01-01

    Overall, the HTGR graphite situation is in excellent shape. In both of the critical requirements, fuel blocks and support structures, adequate graphites are at hand and improved grades are sufficiently far along in truncation. In the aerospace field, GraphNOL N3M permits vehicle performance with confidence in trajectories unobtainable with any other existing material. For fusion energy applications, no other graphite can simultaneously withstand both extreme thermal shock and neutron damage. Hence, the material promises to create new markets as well as to offer a better candidate material for existing applications

  4. Theoretical study of the generation of terahertz radiation by the interaction of two laser beams with graphite nanoparticles

    Science.gov (United States)

    Sepehri Javan, N.; Rouhi Erdi, F.

    2017-12-01

    In this theoretical study, we investigate the generation of terahertz radiation by considering the beating of two similar Gaussian laser beams with different frequencies of ω1 and ω2 in a spatially modulated medium of graphite nanoparticles. The medium is assumed to contain spherical graphite nanoparticles of two different configurations: in the first configuration, the electric fields of the laser beams are parallel to the normal vector of the basal plane of the graphite structure, whereas in the second configuration, the electric fields are perpendicular to the normal vector of the basal plane. The interaction of the electric fields of lasers with the electronic clouds of the nanoparticles generates a ponderomotive force that in turn leads to the creation of a macroscopic electron current in the direction of laser polarizations and at the beat frequency ω1-ω2 , which can generate terahertz radiation. We show that, when the beat frequency lies near the effective plasmon frequency of the nanoparticles and the electric fields are parallel to the basal-plane normal, a resonant interaction of the laser beams causes intense terahertz radiation.

  5. Absence of field anisotropy in the intrinsic ferromagnetic signals of highly oriented pyrolytic graphite

    International Nuclear Information System (INIS)

    Ballestar, A.; Setzer, A.; Esquinazi, P.; Garcia, N.

    2011-01-01

    We have measured the magnetization of bulk samples of highly oriented pyrolytic graphite (HOPG) at magnetic fields applied parallel and perpendicular to the graphene layers. Within experimental error the intrinsic ferromagnetic signals of the samples show similar magnetic moments at saturation for the two magnetic field directions, in contrast to recently published data (J. Cervenka et al., Nat. Phys. 5 (2009) 840). To check that the SQUID device provides correctly the small ferromagnetic signals obtained after subtracting the 100 times larger diamagnetic background, we have prepared a sample with a superconducting Pb-film deposited on one of the HOPG surfaces. We show that the field dependence of the measured magnetic moment and after the background subtraction is highly reliable even in the sub-μ emu range providing the real magnetic properties of the embedded small ferromagnetic and superconducting signals. - Research Highlights: → We have measured the magnetization of bulk samples of highly oriented pyrolytic graphite (HOPG) at magnetic fields applied parallel and perpendicular to the graphene layers.→ Within experimental error the intrinsic ferromagnetic signals of the samples show similar magnetic moments at saturation for the two magnetic field directions.→ The absence of magnetic anisotropy of the intrinsic ferromagnetic order found in HOPG samples contrasts recently published data by Cervenka et al., Nat Phys 5, 840 (2009).

  6. Characteristics of thermal neutron calibration fields using a graphite pile

    International Nuclear Information System (INIS)

    Uchita, Yoshiaki; Saegusa, Jun; Kajimoto, Yoichi; Tanimura, Yoshihiko; Shimizu, Shigeru; Yoshizawa, Michio

    2005-03-01

    The Facility of Radiation Standards of Japan Atomic Energy Research Institute is equipped with thermal neutron fields for calibrating area and personal neutron dosemeters. The fields use moderated neutrons leaked from a graphite pile in which radionuclide sources are placed. In January 2003, we have renewed the pile with some modifications in its size. In accordance with the renewal, we measured and calculated thermal neutron fluence rates, neutron energy distributions and angular distributions of the fields. The thermal neutron fluence rates of the ''inside-pile fields'' and the outside-pile fields'' were determined by the gold foil activation method. The neutron energy distributions of the outside-pile fields were also measured with the Bonner multi-sphere spectrometer system. The contributions of epithermal and fast neutrons to the total dose-equivalents were 9% in the southern outside-pile field and 12% in the western outside-pile field. The personal dose-equivalents, H p,slab (10, α), in the outside-pile fields are evaluated by considering the calculated angular distributions of incoming neutrons. The H p,slab (10, α) was found to be about 40% higher than the value in assuming the unidirectional neutron between the pile and the test point. (author)

  7. Effect of structural disorder on quantum oscillations in graphite

    Energy Technology Data Exchange (ETDEWEB)

    Camargo, B. C., E-mail: b.c-camargo@yahoo.com.br; Kopelevich, Y. [Instituto de Fisica Gleb Wataghin, Universidade Estadual de Campinas, Unicamp 13083-970, Campinas, São Paulo (Brazil); Usher, A.; Hubbard, S. B. [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom)

    2016-01-18

    We have studied the effect of structural disorder on the de Haas van Alphen and Shubnikov de Haas quantum oscillations measured in natural, Kish, and highly oriented pyrolytic graphite samples at temperatures down to 30 mK and at magnetic fields up to 14 T. The measurements were performed on different samples characterized by means of x-ray diffractometry, transmission electron microscopy, and atomic-force microscopy techniques. Our results reveal a correlation between the amplitude of quantum oscillations and the sample surface roughness.

  8. Near field plasmon and force microscopy

    NARCIS (Netherlands)

    de Hollander, R.B.G.; van Hulst, N.F.; Kooyman, R.P.H.

    1995-01-01

    A scanning plasmon near field optical microscope (SPNM) is presented which combines a conventional far field surface plasmon microscope with a stand-alone atomic force microscope (AFM). Near field plasmon and force images are recorded simultaneously both with a lateral resolution limited by the

  9. Physical properties of C60 intercalated graphite films

    International Nuclear Information System (INIS)

    Nakahara, T; Hosomi, N; Taniguchi, J; Suzuki, M; Sato, T; Abe, K; Kuwahara, D; Ishikawa, M; Kato, M; Miura, K

    2007-01-01

    Recently, Miura and Tsuda have synthesized C 60 intercalated graphite film (C 60 /Gr) and reported that the C 60 /Gr consists of alternating close-packed C 60 monolayers and graphite layers. They also found that its frictional force is minimal up to the loading force of 100 nN using AFM [Miura K and Tsuda D 2005 e-J. Surf. Sci. Nanotech. 3 21] Thus, we have started to study the physical properties of C 60 /Gr and carried out NMR, Raman scattering and specific heat measurements. These results suggest that C 60 in C 60 /Gr rotates at room temperature

  10. Ehrenfest force in inhomogeneous magnetic field

    International Nuclear Information System (INIS)

    Sisakyan, A.N.; Shevchenko, O.Yu.; Samojlov, V.N.

    2000-01-01

    The Ehrenfest force in an inhomogeneous magnetic field is calculated. It is shown that there exist such (very rare) topologically nontrivial physical situations when the Gauss theorem in its classic formulation fails and, as a consequence, apart from the usual Lorentz force an additional, purely imaginary force acts on the charged particle. This force arises only in inhomogeneous magnetic fields of special configurations, has a purely quantum origin, and disappears in the classical limit

  11. Huge magnetoresistance effect of highly oriented pyrolytic graphite

    International Nuclear Information System (INIS)

    Du Youwei; Wang Zhiming; Ni Gang; Xing Dingyu; Xu Qingyu

    2004-01-01

    Graphite is a quasi-two-dimensional semimetal. However, for usual graphite the magnetoresistance is not so high due to its small crystal size and no preferred orientation. Huge positive magnetoresistance up to 85300% at 4.2 K and 4950% at 300 K under 8.15 T magnetic field was found in highly oriented pyrolytic graphite. The mechanism of huge positive magnetoresistance is not only due to ordinary magnetoresistance but also due to magnetic-field-driven semimetal-insulator transition

  12. 3D microscopy of hydrogen and magnetic force on proton implanted microstructures in graphite

    International Nuclear Information System (INIS)

    Reichart, P.; Cluitmans, J.F.J.; Pakes, C.; Orbons, S.; Jamieson, D.N.

    2005-01-01

    We investigated the depth dependence of magnetic signals in proton irradiated graphite using a tilted microspot implantation followed by combined AFM/MFM analysis. This study is motivated by the not yet independently reproduced discovery of ferromagnetism in carbon materials created by proton irradiation. We present results of 3D hydrogen analysis of pristine and irradiated highly oriented pyrolytic graphite (HOPG). These results, previously presented in collaboration with universities in Leipzig and Munich, are summarized here and reveal a hydrogen level in pristine HOPG less than 0.3 at-ppm and that 2.25 MeV implanted hydrogen is located within a peak confined to the end of range with no evidence of diffusion broadening. For implanted microspots, up to 40 at-% of the implanted hydrogen is not detected, providing support for lateral hydrogen diffusion. Up to 10 16 H-atoms/cm 2 are detected in the near-surface region on all samples, which has not yet been considered in possible mechanisms for creation of ferromagnetism. As theoretical models propose that hydrogen could play a major role in carbon ferromagnetism, this result raises the hypothesis for an effect restricted to the surface. Our preliminary data on magnetic force microscopy of tilted implants show a strong magnetic phase shift localized on the beam entrance point only. (author). 14 refs., 5 figs

  13. Charge storage in mesoscopic graphitic islands fabricated using AFM bias lithography

    Energy Technology Data Exchange (ETDEWEB)

    Kurra, Narendra; Basavaraja, S; Kulkarni, G U [Chemistry and Physics of Materials Unit and DST Unit on Nanoscience, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore 560 064 (India); Prakash, Gyan; Fisher, Timothy S; Reifenberger, Ronald G, E-mail: kulkarni@jncasr.ac.in, E-mail: reifenbr@purdue.edu [Birck Nanotechnology Center, Purdue University, West Lafayette, IN 47907 (United States)

    2011-06-17

    Electrochemical oxidation and etching of highly oriented pyrolytic graphite (HOPG) has been achieved using biased atomic force microscopy (AFM) lithography, allowing patterns of varying complexity to be written into the top layers of HOPG. The graphitic oxidation process and the trench geometry after writing were monitored using intermittent contact mode AFM. Electrostatic force microscopy reveals that the isolated mesoscopic islands formed during the AFM lithography process become positively charged, suggesting that they are laterally isolated from the surrounding HOPG substrate. The electrical transport studies of these laterally isolated finite-layer graphitic islands enable detailed characterization of electrical conduction along the c-direction and reveal an unexpected stability of the charged state. Utilizing conducting-atomic force microscopy, the measured I(V) characteristics revealed significant non-linearities. Micro-Raman studies confirm the presence of oxy functional groups formed during the lithography process.

  14. The roles of geometry and topology structures of graphite fillers on thermal conductivity of the graphite/aluminum composites

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, C.; Chen, D.; Zhang, X.B. [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China); Chen, Z., E-mail: zhe.chen@sjtu.edu.cn [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China); Zhong, S.Y.; Wu, Y. [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China); Ji, G. [Unité Matériaux et Transformations, CNRS UMR 8207, Université Lille 1, Villeneuve d' Ascq 59655 (France); Wang, H.W. [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2015-02-20

    Various graphite fillers, such as graphite particles, graphite fibers, graphite flakes and porous graphite blocks, have been successfully incorporated into an Al alloy by squeeze casting in order to fabricate graphite/Al composites with enhanced thermal conductivity (TC). Microstructural characterization by X-ray diffraction and scanning electron microscopy has revealed a tightly-adhered, clean and Al{sub 4}C{sub 3}-free interface between the graphite fillers and the Al matrix in all the as-fabricated composites. Taking the microstructural features into account, we generalized the corresponding predictive models for the TCs of these composites with the effective medium approximation and the Maxwell mean-field scheme, which both show good agreement with the experimental data. The roles of geometry and topology structures of graphite fillers on the TCs of the composites were further discussed. - Highlights: • The thermal enhancement of various graphite fillers with different topology structures. • Predictive models for the thermal conductivity of different topology structures. • Oriented flakes alignment has the high potentials for thermal enhancement.

  15. A graphite foam reinforced by graphite particles

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, J.J.; Wang, X.Y.; Guo, L.F.; Wang, Y.M.; Wang, Y.P.; Yu, M.F.; Lau, K.T.T. [DongHua University, Shanghai (China). College of Material Science and Engineering

    2007-11-15

    Graphite foam was obtained after carbonization and graphitization of a pitch foam formed by the pyrolysis of coal tar based mesophase pitch mixed with graphite particles in a high pressure and temperature chamber. The graphite foam possessed high mechanical strength and exceptional thermal conductivity after adding the graphite particles. Experimental results showed that the thermal conductivity of modified graphite foam reached 110W/m K, and its compressive strength increased from 3.7 MPa to 12.5 MPa with the addition of 5 wt% graphite particles. Through the microscopic observation, it was also found that fewer micro-cracks were formed in the cell wall of the modified foam as compared with pure graphite foam. The graphitization degree of modified foam reached 84.9% and the ligament of graphite foam exhibited high alignment after carbonization at 1200{sup o}C for 3 h and graphitization at 3000{sup o}C for 10 min.

  16. Graphite

    Science.gov (United States)

    Robinson, Gilpin R.; Hammarstrom, Jane M.; Olson, Donald W.; Schulz, Klaus J.; DeYoung,, John H.; Seal, Robert R.; Bradley, Dwight C.

    2017-12-19

    Graphite is a form of pure carbon that normally occurs as black crystal flakes and masses. It has important properties, such as chemical inertness, thermal stability, high electrical conductivity, and lubricity (slipperiness) that make it suitable for many industrial applications, including electronics, lubricants, metallurgy, and steelmaking. For some of these uses, no suitable substitutes are available. Steelmaking and refractory applications in metallurgy use the largest amount of produced graphite; however, emerging technology uses in large-scale fuel cell, battery, and lightweight high-strength composite applications could substantially increase world demand for graphite.Graphite ores are classified as “amorphous” (microcrystalline), and “crystalline” (“flake” or “lump or chip”) based on the ore’s crystallinity, grain-size, and morphology. All graphite deposits mined today formed from metamorphism of carbonaceous sedimentary rocks, and the ore type is determined by the geologic setting. Thermally metamorphosed coal is the usual source of amorphous graphite. Disseminated crystalline flake graphite is mined from carbonaceous metamorphic rocks, and lump or chip graphite is mined from veins in high-grade metamorphic regions. Because graphite is chemically inert and nontoxic, the main environmental concerns associated with graphite mining are inhalation of fine-grained dusts, including silicate and sulfide mineral particles, and hydrocarbon vapors produced during the mining and processing of ore. Synthetic graphite is manufactured from hydrocarbon sources using high-temperature heat treatment, and it is more expensive to produce than natural graphite.Production of natural graphite is dominated by China, India, and Brazil, which export graphite worldwide. China provides approximately 67 percent of worldwide output of natural graphite, and, as the dominant exporter, has the ability to set world prices. China has significant graphite reserves, and

  17. Recompressed exfoliated graphite articles

    Science.gov (United States)

    Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z

    2013-08-06

    This invention provides an electrically conductive, less anisotropic, recompressed exfoliated graphite article comprising a mixture of (a) expanded or exfoliated graphite flakes; and (b) particles of non-expandable graphite or carbon, wherein the non-expandable graphite or carbon particles are in the amount of between about 3% and about 70% by weight based on the total weight of the particles and the expanded graphite flakes combined; wherein the mixture is compressed to form the article having an apparent bulk density of from about 0.1 g/cm.sup.3 to about 2.0 g/cm.sup.3. The article exhibits a thickness-direction conductivity typically greater than 50 S/cm, more typically greater than 100 S/cm, and most typically greater than 200 S/cm. The article, when used in a thin foil or sheet form, can be a useful component in a sheet molding compound plate used as a fuel cell separator or flow field plate. The article may also be used as a current collector for a battery, supercapacitor, or any other electrochemical cell.

  18. Development, installation, and initial operation of DIII-D graphite armor tiles

    International Nuclear Information System (INIS)

    Anderson, P.M.; Baxi, C.B.; Reis, E.E.; Smith, J.P.; Smith, P.D.

    1988-04-01

    An upgrade of the DIII-D vacuum vessel protection system has been completed. The ceiling, floor, and inner wall have been armored to enable operation of CIT-relevant doublenull diverted plasmas and to enable the use of the inner wall as a limiting surface. The all- graphite tiles replace the earlier partial coverage armor configuration which consisted of a combination of Inconel tiles and graphite brazed to Inconel tiles. A new all-graphite design concept was chosen for cost and reliability reasons. The 10 minute duration between plasma discharges required the tiles to be cooled by conduction to the water-cooled vessel wall. Using two and three- dimensional analyses, the tile design was optimized to minimize thermal stresses with uniform thermal loading on the plasma-facing surface. Minimizing the stresses around the tile hold-down feature and eliminating stress concentrators were emphasized in the design. The design of the tile fastener system resulted in sufficient hold-down forces for good thermal conductance to the vessel and for securing the tile against eddy current forces. The tiles are made of graphite, and a program to select a suitable grade of graphite was undertaken. Initially, graphites were compared based on published technical data. Graphite samples were then tested for thermal shock capacity in an electron beam test facility at the Sandia National Laboratory (SNLA) in Albuquerque, New Mexico, USA. 4 refs., 6 figs

  19. Transition States from Empirical Force Fields

    DEFF Research Database (Denmark)

    Jensen, Frank; Norrby, Per-Ola

    2003-01-01

    This is an overview of the use of empirical force fields in the study of reaction mechanisms. EVB-type methods (including RFF and MCMM) produce full reaction surfaces by mixing, in the simplest case, known force fields describing reactants and products. The SEAM method instead locates approximate...

  20. Estimation of graphite dust production in ITER TBM using finite element method

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Ji-Ho, E-mail: jhkang@kaeri.re.kr [Korea Atomic Energy Research Institute, 989-111, Daekeok-Daero, Yuseong-Gu, Daejeon 305-353 (Korea, Republic of); Kim, Eung Seon [Korea Atomic Energy Research Institute, 989-111, Daekeok-Daero, Yuseong-Gu, Daejeon 305-353 (Korea, Republic of); Ahn, Mu-Young; Lee, Youngmin; Park, Yi-Hyun; Cho, Seungyon [National Fusion Research Institute, 169-148, Gwahak-ro, Yuseong-gu, Daejeon (Korea, Republic of)

    2015-12-15

    Highlights: • Graphite dust production was estimated for the Korean Helium Cooled Ceramic Reflector. • Wear amount was calculated by Archard model using finite element analysis results. • Life time estimation of graphite dust production was done. - Abstract: In this study, an estimation method of graphite dust production in the pebble-bed type reflector region of the Korean Helium Cooled Ceramic Reflector (HCCR) Test Blanket Module (TBM) of the International Thermonuclear Experimental Reactor (ITER) project using Finite Element Method (FEM) was proposed and the total amount of dust production was calculated. A unit-cell model of uniformly arranged pebbles was defined with thermal and mechanical loadings. A commercial FEM program, Abaqus V6.10, was used to model and solve the stress field under multiple contact constraints between pebbles in the unit-cell. Resultant normal contact forces and slip distances on the contact points were applied into the Archard adhesive wear model to calculate the amount of graphite dust. The Finite Element (FE) analysis was repeated at 27 unit-cell locations chosen to form an interpolated dust density function for the entire region of the reflector. The dust production calculation was extended to the life time of the HCCR and the total graphite dust production was estimated to 0.279 g at the end of the life time with the maximum graphite dust density of 0.149 μg/mm{sup 3}. The dust explosion could be a safety issue with the calculated dust density level and it requires that an appropriate maintenance to remove sufficient amount of graphite dust regularly to prevent the possibility of dust explosion.

  1. Estimation of graphite dust production in ITER TBM using finite element method

    International Nuclear Information System (INIS)

    Kang, Ji-Ho; Kim, Eung Seon; Ahn, Mu-Young; Lee, Youngmin; Park, Yi-Hyun; Cho, Seungyon

    2015-01-01

    Highlights: • Graphite dust production was estimated for the Korean Helium Cooled Ceramic Reflector. • Wear amount was calculated by Archard model using finite element analysis results. • Life time estimation of graphite dust production was done. - Abstract: In this study, an estimation method of graphite dust production in the pebble-bed type reflector region of the Korean Helium Cooled Ceramic Reflector (HCCR) Test Blanket Module (TBM) of the International Thermonuclear Experimental Reactor (ITER) project using Finite Element Method (FEM) was proposed and the total amount of dust production was calculated. A unit-cell model of uniformly arranged pebbles was defined with thermal and mechanical loadings. A commercial FEM program, Abaqus V6.10, was used to model and solve the stress field under multiple contact constraints between pebbles in the unit-cell. Resultant normal contact forces and slip distances on the contact points were applied into the Archard adhesive wear model to calculate the amount of graphite dust. The Finite Element (FE) analysis was repeated at 27 unit-cell locations chosen to form an interpolated dust density function for the entire region of the reflector. The dust production calculation was extended to the life time of the HCCR and the total graphite dust production was estimated to 0.279 g at the end of the life time with the maximum graphite dust density of 0.149 μg/mm"3. The dust explosion could be a safety issue with the calculated dust density level and it requires that an appropriate maintenance to remove sufficient amount of graphite dust regularly to prevent the possibility of dust explosion.

  2. From Graphite to Graphene via Scanning Tunneling Microscopy

    Science.gov (United States)

    Qi, Dejun

    The primary objective of this dissertation is to study both graphene on graphite and pristine freestanding grapheme using scanning tunneling microscopy (STM) and density functional theory (DFT) simulation technique. In the experiment part, good quality tungsten metalic tips for experiment were fabricated using our newly developed tip making setup. Then a series of measurements using a technique called electrostatic-manipulation scanning tunneling microscopy (EM-STM) of our own development were performed on a highly oriented pyrolytic graphite (HOPG) surface. The electrostatic interaction between the STM tip and the sample can be tuned to produce both reversible and irreversible large-scale movement of the graphite surface. Under this influence, atomic-resolution STM images reveal that a continuous electronic transition between two distinct patterns can be systematically controlled. DFT calculations reveal that this transition can be related to vertical displacements of the top layer of graphite relative to the bulk. Evidence for horizontal shifts in the top layer of graphite is also presented. Excellent agreement is found between experimental STM images and those simulated using DFT. In addition, the EM-STM technique was also used to controllably and reversibly pull freestanding graphene membranes up to 35 nm from their equilibrium height. Atomic-scale corrugation amplitudes 20 times larger than the STM electronic corrugation for graphene on a substrate were observed. The freestanding graphene membrane responds to a local attractive force created at the STM tip as a highly conductive yet flexible grounding plane with an elastic restoring force.

  3. Adsorption behavior of bisphenol A on CTAB-modified graphite

    Science.gov (United States)

    Wang, Li-Cong; Ni, Xin-jiong; Cao, Yu-Hua; Cao, Guang-qun

    2018-01-01

    In this work, the adsorption behavior of BPA on CTAB-modified graphite was investigated thoroughly to develop a novel absorbent material. Atomic force microscopy revealed that conical admicelles formed on the surface of graphite. The surface area of graphite decreased significantly from 1.46 to 0.95 m2 g-1, which confirmed the formation of the larger size admicelle instead of the original smaller particle on the surface. CTAB concentration and incubation time affected the progress of admicelle formation on the surface of graphite. Adsolubilization is key in BPA adsorption by CTAB-modified graphite. An extraordinary cation-π electron interaction between CTAB and BPA, revealed by a red-shift in the ultraviolet spectrum, as well as a hydrophobic interaction contribute substantially to BPA adsolubilization. The equilibrium adsorption capacity of the modified graphite for BPA was 125.01 mg g-1. The adsorption kinetic curves of BPA on modified graphite were shown to follow a pseudosecond-order rate. The adsorption process was observed to be both spontaneous and exothermic complied with the Freundlich model.

  4. Graphene nanoribbons exfoliated from graphite surface dislocation bands by electrostatic force

    International Nuclear Information System (INIS)

    Sidorov, Anton N; Ouseph, P J; Sumanasekera, Gamini; Bansal, Tanesh

    2010-01-01

    We have developed a novel technique to produce long and narrow graphene ribbons with smooth edges. This technique is free of any chemical treatments and involves a combination of two steps: (i) creation of surface dislocation ribbons by high velocity clusters impacting the graphite surface and (ii) electrostatic transferring of the dislocation ribbons to a desired substrate. The width of the ribbons can be controlled by varying the impact velocity of a cluster jet stream from a gas jet impactor. The electrical transport properties were investigated on the ribbons in field effect transistor (FET) configuration. The p-type behavior observed under ambient conditions was found to be reversed upon annealing at 180 deg. C in a vacuum of 10 -7 Torr. Charge transfer effects were observed when the degassed graphene was exposed to N 2 O and NH 3 .

  5. Force-free field model of ball lightning

    International Nuclear Information System (INIS)

    Tsui, K.H.

    2001-01-01

    Due to the nature that the force-free magnetic field, whose current carried by the conducting plasma is everywhere parallel to the magnetic field it generates, is the minimum energy configuration under the constraint of magnetic helicity conservation, ball lightning is considered as a self-organized phenomenon with a plasma fireball immersed in a spherical force-free magnetic field. Since this field does not exert force on the plasma, the plasma pressure, by itself, is in equilibrium with the surrounding environment, and the force-free magnetic field can take on any value without affecting the plasma. Due to this second feature, singular solutions of the magnetic field that are otherwise excluded are allowed, which enable a large amount of energy to be stored to sustain the ball lightning. The singularity is truncated only by the physical limit of current density that a plasma can carry. Scaling the customary soccer-size fireball to larger dimensions could account for day and night sightings of luminous objects in the sky

  6. Combined friction force microscopy and quantum chemical investigation of the tribotronic response at the propylammonium nitrate-graphite interface.

    Science.gov (United States)

    Li, H; Atkin, R; Page, A J

    2015-06-28

    The energetic origins of the variation in friction with potential at the propylammonium nitrate-graphite interface are revealed using friction force microscopy (FFM) in combination with quantum chemical simulations. For boundary layer lubrication, as the FFM tip slides energy is dissipated via (1) boundary layer ions and (2) expulsion of near-surface ion layers from the space between the surface and advancing tip. Simulations reveal how changing the surface potential changes the ion composition of the boundary and near surface layer, which controls energy dissipation through both pathways, and thus the friction.

  7. Design of a graphite-moderated {sup 241}Am-Li neutron field to simulate reactor spectra

    Energy Technology Data Exchange (ETDEWEB)

    Tsujimura, N., E-mail: tsujimura.norio@jaea.go.j [Nuclear Fuel Cycle Engineering Laboratories, Japan Atomic Energy Agency, 4-33, Tokai-mura, Ibaraki-ken, 319-1194 (Japan); Yoshida, T. [Nuclear Fuel Cycle Engineering Laboratories, Japan Atomic Energy Agency, 4-33, Tokai-mura, Ibaraki-ken, 319-1194 (Japan)

    2010-12-15

    A neutron calibration field using {sup 241}Am-Li sources and a moderator was designed to simulate the neutron fields found outside a reactor. The moderating assembly selected for the design calculation consists of a cube of graphite blocks with dimensions of 50 cm by 50 cm by 50 cm, in which the {sup 241}Am-Li sources are placed. Monte Carlo calculations revealed the optimal depth of the source to be 15 cm. This moderated neutron source can be used to provide a test field that has a large number of intermediate energy neutrons with a small portion of MeV component.

  8. Near field plasmon and force microscopy

    OpenAIRE

    de Hollander, R.B.G.; van Hulst, N.F.; Kooyman, R.P.H.

    1995-01-01

    A scanning plasmon near field optical microscope (SPNM) is presented which combines a conventional far field surface plasmon microscope with a stand-alone atomic force microscope (AFM). Near field plasmon and force images are recorded simultaneously both with a lateral resolution limited by the probe size to about 20 nm. At variance to previous work, utilizing a scanning tunneling microscope (STM) with a metallic tip, a dielectric silicon-nitride tip is used in contact mode. This arrangement ...

  9. Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions.

    Science.gov (United States)

    Verdonk, Marcel L; Ludlow, R Frederick; Giangreco, Ilenia; Rathi, Prakash Chandra

    2016-07-28

    The Protein Data Bank (PDB) contains a wealth of data on nonbonded biomolecular interactions. If this information could be distilled down to nonbonded interaction potentials, these would have some key advantages over standard force fields. However, there are some important outstanding issues to address in order to do this successfully. This paper introduces the protein-ligand informatics "force field", PLIff, which begins to address these key challenges ( https://bitbucket.org/AstexUK/pli ). As a result of their knowledge-based nature, the next-generation nonbonded potentials that make up PLIff automatically capture a wide range of interaction types, including special interactions that are often poorly described by standard force fields. We illustrate how PLIff may be used in structure-based design applications, including interaction fields, fragment mapping, and protein-ligand docking. PLIff performs at least as well as state-of-the art scoring functions in terms of pose predictions and ranking compounds in a virtual screening context.

  10. Optical motion control of maglev graphite.

    Science.gov (United States)

    Kobayashi, Masayuki; Abe, Jiro

    2012-12-26

    Graphite has been known as a typical diamagnetic material and can be levitated in the strong magnetic field. Here we show that the magnetically levitating pyrolytic graphite can be moved in the arbitrary place by simple photoirradiation. It is notable that the optical motion control system described in this paper requires only NdFeB permanent magnets and light source. The optical movement is driven by photothermally induced changes in the magnetic susceptibility of the graphite. Moreover, we demonstrate that light energy can be converted into rotational kinetic energy by means of the photothermal property. We find that the levitating graphite disk rotates at over 200 rpm under the sunlight, making it possible to develop a new class of light energy conversion system.

  11. Method of producing exfoliated graphite composite compositions for fuel cell flow field plates

    Energy Technology Data Exchange (ETDEWEB)

    Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z

    2014-04-08

    A method of producing an electrically conductive composite composition, which is particularly useful for fuel cell bipolar plate applications. The method comprises: (a) providing a supply of expandable graphite powder; (b) providing a supply of a non-expandable powder component comprising a binder or matrix material; (c) blending the expandable graphite with the non-expandable powder component to form a powder mixture wherein the non-expandable powder component is in the amount of between 3% and 60% by weight based on the total weight of the powder mixture; (d) exposing the powder mixture to a temperature sufficient for exfoliating the expandable graphite to obtain a compressible mixture comprising expanded graphite worms and the non-expandable component; (e) compressing the compressible mixture at a pressure within the range of from about 5 psi to about 50,000 psi in predetermined directions into predetermined forms of cohered graphite composite compact; and (f) treating the so-formed cohered graphite composite to activate the binder or matrix material thereby promoting adhesion within the compact to produce the desired composite composition. Preferably, the non-expandable powder component further comprises an isotropy-promoting agent such as non-expandable graphite particles. Further preferably, step (e) comprises compressing the mixture in at least two directions. The method leads to composite plates with exceptionally high thickness-direction electrical conductivity.

  12. Structural superlubricity of platinum on graphite under ambient conditions: The effects of chemistry and geometry

    Science.gov (United States)

    Özoǧul, Alper; Ipek, Semran; Durgun, Engin; Baykara, Mehmet Z.

    2017-11-01

    An investigation of the frictional behavior of platinum nanoparticles laterally manipulated on graphite has been conducted to answer the question of whether the recent observation of structural superlubricity under ambient conditions [E. Cihan, S. İpek, E. Durgun, and M. Z. Baykara, Nat. Commun. 7, 12055 (2016)] is exclusively limited to the gold-graphite interface. Platinum nanoparticles have been prepared by e-beam evaporation of a thin film of platinum on graphite, followed by post-deposition annealing. Morphological and structural characterization of the nanoparticles has been performed via scanning electron microscopy and transmission electron microscopy, revealing a crystalline structure with no evidence of oxidation under ambient conditions. Lateral manipulation experiments have been performed via atomic force microscopy under ambient conditions, whereby results indicate the occurrence of structural superlubricity at mesoscopic interfaces of 4000-75 000 nm2, with a noticeably higher magnitude of friction forces when compared with gold nanoparticles of similar contact areas situated on graphite. Ab initio simulations of sliding involving platinum and gold slabs on graphite confirm the experimental observations, whereby the higher magnitude of friction forces is attributed to stronger energy barriers encountered by platinum atoms sliding on graphite, when compared with gold. On the other hand, as predicted by theory, the scaling power between friction force and contact size is found to be independent of the chemical identity of the sliding atoms, but to be determined by the geometric qualities of the interface, as characterized by an average "sharpness score" assigned to the nanoparticles.

  13. The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields.

    Science.gov (United States)

    Leib, Raz; Karniel, Amir; Nisky, Ilana

    2015-05-01

    During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. Copyright © 2015 the American Physiological Society.

  14. Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model

    Science.gov (United States)

    Hughes, Zak E.; Tomásio, Susana M.; Walsh, Tiffany R.

    2014-04-01

    To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter-operability with known biological FFs, is a pivotal requirement. Here, we present and apply such a force-field, GRAPPA, designed to work with the CHARMM FF. GRAPPA is an efficiently implemented polarisable force-field, informed by extensive plane-wave DFT calculations using the revPBE-vdW-DF functional. GRAPPA adequately recovers the spatial and orientational structuring of the aqueous interface of graphene and carbon nanotubes, compared with more sophisticated approaches. We apply GRAPPA to determine the free energy of adsorption for a range of amino acids, identifying Trp, Tyr and Arg to have the strongest binding affinity and Asp to be a weak binder. The GRAPPA FF can be readily incorporated into mainstream simulation packages, and will enable large-scale polarisable biointerfacial simulations at graphitic interfaces, that will aid the development of biomolecule-mediated, solution-based graphene processing and self-assembly strategies.To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter

  15. Interaction of the Helium, Hydrogen, Air, Argon, and Nitrogen Bubbles with Graphite Surface in Water.

    Science.gov (United States)

    Bartali, Ruben; Otyepka, Michal; Pykal, Martin; Lazar, Petr; Micheli, Victor; Gottardi, Gloria; Laidani, Nadhira

    2017-05-24

    The interaction of the confined gas with solid surface immersed in water is a common theme of many important fields such as self-cleaning surface, gas storage, and sensing. For that reason, we investigated the gas-graphite interaction in the water medium. The graphite surface was prepared by mechanical exfoliation of highly oriented pyrolytic graphite (HOPG). The surface chemistry and morphology were studied by X-ray photoelectron spectroscopy, profilometry, and atomic force microscopy. The surface energy of HOPG was estimated by contact angle measurements using the Owens-Wendt method. The interaction of gases (Ar, He, H 2 , N 2 , and air) with graphite was studied by a captive bubble method, in which the gas bubble was in contact with the exfoliated graphite surface in water media. The experimental data were corroborated by molecular dynamics simulations and density functional theory calculations. The surface energy of HOPG equaled to 52.8 mJ/m 2 and more of 95% of the surface energy was attributed to dispersion interactions. The results on gas-surface interaction indicated that HOPG surface had gasphilic behavior for helium and hydrogen, while gasphobic behavior for argon and nitrogen. The results showed that the variation of the gas contact angle was related to the balance between the gas-surface and gas-gas interaction potentials. For helium and hydrogen the gas-surface interaction was particularly high compared to gas-gas interaction and this promoted the favorable interaction with graphite surface.

  16. Harmonic force field for nitro compounds.

    Science.gov (United States)

    Bellido, Edson P; Seminario, Jorge M

    2012-06-01

    Molecular simulations leading to sensors for the detection of explosive compounds require force field parameters that can reproduce the mechanical and vibrational properties of energetic materials. We developed precise harmonic force fields for alanine polypeptides and glycine oligopeptides using the FUERZA procedure that uses the Hessian tensor (obtained from ab initio calculations) to calculate precise parameters. In this work, we used the same procedure to calculate generalized force field parameters of several nitro compounds. We found a linear relationship between force constant and bond distance. The average angle in the nitro compounds was 116°, excluding the 90° angle of the carbon atoms in the octanitrocubane. The calculated parameters permitted the accurate molecular modeling of nitro compounds containing many functional groups. Results were acceptable when compared with others obtained using methods that are specific for one type of molecule, and much better than others obtained using methods that are too general (these ignore the chemical effects of surrounding atoms on the bonding and therefore the bond strength, which affects the mechanical and vibrational properties of the whole molecule).

  17. Adsorption and manipulation of carbon onions on highly oriented pyrolytic graphite studied with atomic force microscopy

    International Nuclear Information System (INIS)

    Zhou Jianfeng; Shen Ziyong; Hou Shimin; Zhao Xingyu; Xue Zengquan; Shi Zujin; Gu Zhennan

    2007-01-01

    Carbon onions produced by DC arc discharge method were deposited on highly oriented pyrolytic graphite (HOPG) surface and their adsorption and manipulation was studied using an atomic force microscopy (AFM). Well-dispersed adsorption of carbon onions on HOPG surface was obtained and aggregations of onions were not observed. The van der Waals interaction between the onion and HOPG surface and that between two onions, were calculated and discussed using Hamaker's theory. The manipulation of adsorbed onions on HOPG surface was realized using the AFM in both the raster mode and the vector mode. The controllability and precision of two manipulation modes were compared and the vector mode manipulation was found superior, and is a useful technique for the construction of nano-scale devices based on carbon onions

  18. Method for producing dustless graphite spheres from waste graphite fines

    Science.gov (United States)

    Pappano, Peter J [Oak Ridge, TN; Rogers, Michael R [Clinton, TN

    2012-05-08

    A method for producing graphite spheres from graphite fines by charging a quantity of spherical media into a rotatable cylindrical overcoater, charging a quantity of graphite fines into the overcoater thereby forming a first mixture of spherical media and graphite fines, rotating the overcoater at a speed such that the first mixture climbs the wall of the overcoater before rolling back down to the bottom thereby forming a second mixture of spherical media, graphite fines, and graphite spheres, removing the second mixture from the overcoater, sieving the second mixture to separate graphite spheres, charging the first mixture back into the overcoater, charging an additional quantity of graphite fines into the overcoater, adjusting processing parameters like overcoater dimensions, graphite fines charge, overcoater rotation speed, overcoater angle of rotation, and overcoater time of rotation, before repeating the steps until graphite fines are converted to graphite spheres.

  19. Fabrication and electrochemical behavior of single-walled carbon nanotube/graphite-based electrode

    International Nuclear Information System (INIS)

    Moghaddam, Abdolmajid Bayandori; Ganjali, Mohammad Reza; Dinarvand, Rassoul; Razavi, Taherehsadat; Riahi, Siavash; Rezaei-Zarchi, Saeed; Norouzi, Parviz

    2009-01-01

    An electrochemical method for determining the dihydroxybenzene derivatives on glassy carbon (GC) has been developed. In this method, the performance of a single-walled carbon nanotube (SWCNT)/graphite-based electrode, prepared by mixing SWCNTs and graphite powder, was described. The resulting electrode shows an excellent behavior for redox of 3,4-dihydroxybenzoic acid (DBA). SWCNT/graphite-based electrode presents a significant decrease in the overvoltage for DBA oxidation as well as a dramatic improvement in the reversibility of DBA redox behavior in comparison with graphite-based and glassy carbon (GC) electrodes. In addition, scanning electron microscopy (SEM) and atomic force microscopy (AFM) procedures performed for used SWCNTs

  20. Structural disorder of graphite and implications for graphite thermometry

    Science.gov (United States)

    Kirilova, Martina; Toy, Virginia; Rooney, Jeremy S.; Giorgetti, Carolina; Gordon, Keith C.; Collettini, Cristiano; Takeshita, Toru

    2018-02-01

    Graphitization, or the progressive maturation of carbonaceous material, is considered an irreversible process. Thus, the degree of graphite crystallinity, or its structural order, has been calibrated as an indicator of the peak metamorphic temperatures experienced by the host rocks. However, discrepancies between temperatures indicated by graphite crystallinity versus other thermometers have been documented in deformed rocks. To examine the possibility of mechanical modifications of graphite structure and the potential impacts on graphite thermometry, we performed laboratory deformation experiments. We sheared highly crystalline graphite powder at normal stresses of 5 and 25 megapascal (MPa) and aseismic velocities of 1, 10 and 100 µm s-1. The degree of structural order both in the starting and resulting materials was analyzed by Raman microspectroscopy. Our results demonstrate structural disorder of graphite, manifested as changes in the Raman spectra. Microstructural observations show that brittle processes caused the documented mechanical modifications of the aggregate graphite crystallinity. We conclude that the calibrated graphite thermometer is ambiguous in active tectonic settings.

  1. Asymptomatic Intracorneal Graphite Deposits following Graphite Pencil Injury

    OpenAIRE

    Philip, Swetha Sara; John, Deepa; John, Sheeja Susan

    2012-01-01

    Reports of graphite pencil lead injuries to the eye are rare. Although graphite is considered to remain inert in the eye, it has been known to cause severe inflammation and damage to ocular structures. We report a case of a 12-year-old girl with intracorneal graphite foreign bodies following a graphite pencil injury.

  2. Induced forces in the gravitational field

    International Nuclear Information System (INIS)

    Voracek, P.

    1979-01-01

    In this paper the expression for the magnitude of the so-called induced force, acting on a mass particle, is deduced. The origin of this force is causally connected to the increase of the rest mass of the particle in the gravitational field. (orig.)

  3. Controlling Casimir force via coherent driving field

    Science.gov (United States)

    Ahmad, Rashid; Abbas, Muqaddar; Ahmad, Iftikhar; Qamar, Sajid

    2016-04-01

    A four level atom-field configuration is used to investigate the coherent control of Casimir force between two identical plates made up of chiral atomic media and separated by vacuum of width d. The electromagnetic chirality-induced negative refraction is obtained via atomic coherence. The behavior of Casimir force is investigated using Casimir-Lifshitz formula. It is noticed that Casimir force can be switched from repulsive to attractive and vice versa via coherent control of the driving field. This switching feature provides new possibilities of using the repulsive Casimir force in the development of new emerging technologies, such as, micro-electro-mechanical and nano-electro-mechanical systems, i.e., MEMS and NEMS, respectively.

  4. Structural disorder of graphite and implications for graphite thermometry

    Directory of Open Access Journals (Sweden)

    M. Kirilova

    2018-02-01

    Full Text Available Graphitization, or the progressive maturation of carbonaceous material, is considered an irreversible process. Thus, the degree of graphite crystallinity, or its structural order, has been calibrated as an indicator of the peak metamorphic temperatures experienced by the host rocks. However, discrepancies between temperatures indicated by graphite crystallinity versus other thermometers have been documented in deformed rocks. To examine the possibility of mechanical modifications of graphite structure and the potential impacts on graphite thermometry, we performed laboratory deformation experiments. We sheared highly crystalline graphite powder at normal stresses of 5 and 25  megapascal (MPa and aseismic velocities of 1, 10 and 100 µm s−1. The degree of structural order both in the starting and resulting materials was analyzed by Raman microspectroscopy. Our results demonstrate structural disorder of graphite, manifested as changes in the Raman spectra. Microstructural observations show that brittle processes caused the documented mechanical modifications of the aggregate graphite crystallinity. We conclude that the calibrated graphite thermometer is ambiguous in active tectonic settings.

  5. Hierarchical atom type definitions and extensible all-atom force fields.

    Science.gov (United States)

    Jin, Zhao; Yang, Chunwei; Cao, Fenglei; Li, Feng; Jing, Zhifeng; Chen, Long; Shen, Zhe; Xin, Liang; Tong, Sijia; Sun, Huai

    2016-03-15

    The extensibility of force field is a key to solve the missing parameter problem commonly found in force field applications. The extensibility of conventional force fields is traditionally managed in the parameterization procedure, which becomes impractical as the coverage of the force field increases above a threshold. A hierarchical atom-type definition (HAD) scheme is proposed to make extensible atom type definitions, which ensures that the force field developed based on the definitions are extensible. To demonstrate how HAD works and to prepare a foundation for future developments, two general force fields based on AMBER and DFF functional forms are parameterized for common organic molecules. The force field parameters are derived from the same set of quantum mechanical data and experimental liquid data using an automated parameterization tool, and validated by calculating molecular and liquid properties. The hydration free energies are calculated successfully by introducing a polarization scaling factor to the dispersion term between the solvent and solute molecules. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  6. Evaluating amber force fields using computed NMR chemical shifts.

    Science.gov (United States)

    Koes, David R; Vries, John K

    2017-10-01

    NMR chemical shifts can be computed from molecular dynamics (MD) simulations using a template matching approach and a library of conformers containing chemical shifts generated from ab initio quantum calculations. This approach has potential utility for evaluating the force fields that underlie these simulations. Imperfections in force fields generate flawed atomic coordinates. Chemical shifts obtained from flawed coordinates have errors that can be traced back to these imperfections. We use this approach to evaluate a series of AMBER force fields that have been refined over the course of two decades (ff94, ff96, ff99SB, ff14SB, ff14ipq, and ff15ipq). For each force field a series of MD simulations are carried out for eight model proteins. The calculated chemical shifts for the 1 H, 15 N, and 13 C a atoms are compared with experimental values. Initial evaluations are based on root mean squared (RMS) errors at the protein level. These results are further refined based on secondary structure and the types of atoms involved in nonbonded interactions. The best chemical shift for identifying force field differences is the shift associated with peptide protons. Examination of the model proteins on a residue by residue basis reveals that force field performance is highly dependent on residue position. Examination of the time course of nonbonded interactions at these sites provides explanations for chemical shift differences at the atomic coordinate level. Results show that the newer ff14ipq and ff15ipq force fields developed with the implicitly polarized charge method perform better than the older force fields. © 2017 Wiley Periodicals, Inc.

  7. Influence of the surface chemistry on the nanotribological behaviour of (AFM tip/graphite) couples

    International Nuclear Information System (INIS)

    Jradi, Khalil; Schmitt, Marjorie; Bistac, Sophie

    2012-01-01

    The development of the nanotechnology has made essential the knowledge of the tribological behaviour of carbonaceous materials, and more particularly of graphite. Atomic force microscopy (AFM) is thus used to study the friction properties at this nanoscopic scale. In this work, results concerning the friction of AFM tips against graphite pins are presented, with a particular emphasis on the effect of the chemical modification of these tips on the tribological behaviour of graphite.

  8. Surface science. Adhesion and friction in mesoscopic graphite contacts.

    Science.gov (United States)

    Koren, Elad; Lörtscher, Emanuel; Rawlings, Colin; Knoll, Armin W; Duerig, Urs

    2015-05-08

    The weak interlayer binding in two-dimensional layered materials such as graphite gives rise to poorly understood low-friction characteristics. Accurate measurements of the adhesion forces governing the overall mechanical stability have also remained elusive. We report on the direct mechanical measurement of line tension and friction forces acting in sheared mesoscale graphite structures. We show that the friction is fundamentally stochastic in nature and is attributable to the interaction between the incommensurate interface lattices. We also measured an adhesion energy of 0.227 ± 0.005 joules per square meter, in excellent agreement with theoretical models. In addition, bistable all-mechanical memory cell structures and rotational bearings have been realized by exploiting position locking, which is provided solely by the adhesion energy. Copyright © 2015, American Association for the Advancement of Science.

  9. Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

    Science.gov (United States)

    Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

    2012-02-14

    Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

  10. Sensing capabilities of graphite based MR elastomers

    International Nuclear Information System (INIS)

    Tian, T F; Li, W H; Deng, Y M

    2011-01-01

    This paper presents both experimental and theoretical investigations of the sensing capabilities of graphite based magnetorheological elastomers (MREs). In this study, eight MRE samples with varying graphite weight fractions were fabricated and their resistance under different magnetic fields and external loadings were measured with a multi-meter. With an increment of graphite weight fraction, the resistance of MRE sample decreases steadily. Higher magnetic fields result in a resistance increase. Based on an ideal assumption of a perfect chain structure, a mathematical model was developed to investigate the relationship between the MRE resistance with external loading. In this model, the current flowing through the chain structure consists of both a tunnel current and a conductivity current, both of which depend on external loadings. The modelling parameters have been identified and reconstructed from comparison with experimental results. The comparison indicates that both experimental results and modelling predictions agree favourably well

  11. Spin-density wave state in simple hexagonal graphite

    Science.gov (United States)

    Mosoyan, K. S.; Rozhkov, A. V.; Sboychakov, A. O.; Rakhmanov, A. L.

    2018-02-01

    Simple hexagonal graphite, also known as AA graphite, is a metastable configuration of graphite. Using tight-binding approximation, it is easy to show that AA graphite is a metal with well-defined Fermi surface. The Fermi surface consists of two sheets, each shaped like a rugby ball. One sheet corresponds to electron states, another corresponds to hole states. The Fermi surface demonstrates good nesting: a suitable translation in the reciprocal space superposes one sheet onto another. In the presence of the electron-electron repulsion, a nested Fermi surface is unstable with respect to spin-density-wave ordering. This instability is studied using the mean-field theory at zero temperature, and the spin-density-wave order parameter is evaluated.

  12. Study on paraffin/expanded graphite composite phase change thermal energy storage material

    International Nuclear Information System (INIS)

    Zhang Zhengguo; Fang Xiaoming

    2006-01-01

    A paraffin/expanded graphite composite phase change thermal energy storage material was prepared by absorbing the paraffin into an expanded graphite that has an excellent absorbability. In such a composite, the paraffin serves as a latent heat storage material and the expanded graphite acts as the supporting material, which prevents leakage of the melted paraffin from its porous structure due to the capillary and surface tension forces. The inherent structure of the expanded graphite did not change in the composite material. The solid-liquid phase change temperature of the composite PCM was the same as that of the paraffin, and the latent heat of the paraffin/expanded graphite composite material was equivalent to the calculated value based on the mass ratio of the paraffin in the composite. The heat transfer rate of the paraffin/expanded graphite composite was obviously higher than that of the paraffin due to the combination with the expanded graphite that had a high thermal conductivity. The prepared paraffin/expanded graphite composite phase change material had a large thermal storage capacity and improved thermal conductivity and did not experience liquid leakage during its solid-liquid phase change

  13. Gravity Effects on the Free Vibration of a Graphite Column

    International Nuclear Information System (INIS)

    Ki, Dong-Ok; Kim, Jong-Bum; Park, Keun-Bae; Lee, Won-Jae

    2006-01-01

    The gravity effects on the free vibration of a graphite column are studied. Graphite block is a key component of a HTGR (High Temperature Gas Cooled Reactor). The major core elements, such as the fuel blocks and neutron reflector blocks, of HTTR (High Temperature Test Reactor, Japan) and GT-MHR (Gas Turbine- Modular Helium Reactor, USA) consist of stacked hexagonal graphite blocks forming a group of columns. The vibration of the columns induced by earthquakes may lead to solid impacts between graphite blocks and structural integrity problems. The study of free vibration characteristics of the graphite block column is the first step in the core internal structure dynamic analysis. Gravity force bring a negative stiffness term to the transverse vibration analysis of heavy long column structures, and results in natural frequency reductions. Generally it is not considered in the not so tall structure cases, because the gravity term makes the analysis and design complicated. Therefore it is important to check whether the gravity effect is severe or not

  14. Force fields for silicas and aluminophosphates based on ab initio calculations

    NARCIS (Netherlands)

    Beest, van B.W.H.; Kramer, G.J.; Santen, van R.A.

    1990-01-01

    Authors address the problem of finding interat. force fields for silicas from ab initio calcns. on small clusters. The force field cannot be detd. from cluster data alone; incorporation of bulk-system information into the force field remains essential. Bearing this in mind, authors derive a force

  15. Structural strength of core graphite bars

    International Nuclear Information System (INIS)

    Kikuchi, K.; Futakawa, M.

    1987-01-01

    A HTR core consists of fuel, hot plenum, reflector and thermal barrier blocks. Each graphite block is supported by three thin cylindrical graphite bars called support post. Static and dynamic core loads are transmitted by the support posts to the thermal barrier blocks and a support plate. These posts are in contact with the blocks through hemispherical post seats to absorb the relative displacement caused by seismic force and the difference of thermal expansion of materials at the time of the start-up and shutdown of a reactor. The mixed fracture criterion of principal stress and modified Mohr-Coulomb's theory as well as the fracture criterion of principal stress based on elastic stress analysis was discussed in connection with the application to HTR graphite components. The buckling fracture of a support post was taken in consideration as one of the fracture modes. The effect that the length/diameter ratio of a post, small rotation and the curvature of post ends and seats exerted on the fracture strength was studied by using IG-110 graphite. Contacting stress analysis was carried out by using the structural analysis code 'COSMOS-7'. The experimental method, the analysis of buckling strength and the results are reported. The fracture of a support post is caused by the mixed mode of bending deformation, split fracture and shearing fracture. (Kako, I.)

  16. MATCH: An Atom- Typing Toolset for Molecular Mechanics Force Fields

    Science.gov (United States)

    Yesselman, Joseph D.; Price, Daniel J.; Knight, Jennifer L.; Brooks, Charles L.

    2011-01-01

    We introduce a toolset of program libraries collectively titled MATCH (Multipurpose Atom-Typer for CHARMM) for the automated assignment of atom types and force field parameters for molecular mechanics simulation of organic molecules. The toolset includes utilities for the conversion from multiple chemical structure file formats into a molecular graph. A general chemical pattern-matching engine using this graph has been implemented whereby assignment of molecular mechanics atom types, charges and force field parameters is achieved by comparison against a customizable list of chemical fragments. While initially designed to complement the CHARMM simulation package and force fields by generating the necessary input topology and atom-type data files, MATCH can be expanded to any force field and program, and has core functionality that makes it extendable to other applications such as fragment-based property prediction. In the present work, we demonstrate the accurate construction of atomic parameters of molecules within each force field included in CHARMM36 through exhaustive cross validation studies illustrating that bond increment rules derived from one force field can be transferred to another. In addition, using leave-one-out substitution it is shown that it is also possible to substitute missing intra and intermolecular parameters with ones included in a force field to complete the parameterization of novel molecules. Finally, to demonstrate the robustness of MATCH and the coverage of chemical space offered by the recent CHARMM CGENFF force field (Vanommeslaeghe, et al., JCC., 2010, 31, 671–690), one million molecules from the PubChem database of small molecules are typed, parameterized and minimized. PMID:22042689

  17. Immobilization of individual nanotubes in graphitic layers for electrical characterization

    International Nuclear Information System (INIS)

    Roy, Debmalya; Tiwari, Neeru; Mukhopadhyay, K; Saxena, A K

    2014-01-01

    A simple route is followed to produce an abundance of individual carbon nanotubes (CNTs) immobilized in graphitic layers to counter the challenge of locating individual CNTs and restrict the lateral displacement of CNTs due to the high electrostatic force exerted by a scanning tunnelling microscope tip for electrical characterization. Graphitic layers are selected for the embedding matrix as graphite and the nanotubes have a similar work function and hence would not perturb the electrical configuration of the nanotube. Solvent mediated exfoliation of graphite layers to insert the nanotubes was preferred over oxidative expansion, as oxidation could perturb the electrical configuration of graphite. During the exfoliation of graphite the optimized amount of nanotubes was introduced into the medium such that an individual nanotube could be immobilized in few-layer graphene followed by precipitation and centrifugation. The dose and the time of sonication were optimized to ensure that damage to the walls of the nanotubes is minimized, although the ultrasonication causes scissoring of the nanotube length. This procedure for immobilizing nanotubes in graphitic layers would be equally applicable for functionalized CNTs as well. The capability of embedding individual nanotubes into a similar work function material in an organic solvent, which could then be transferred onto a substrate by simple drop casting or spin coating methods, has an added advantage in sample preparation for the STM characterization of CNTs. (paper)

  18. AFM measurements of adhesive forces between carbonaceous particles and the substrates

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Tianqi [Institute of Nuclear and New Energy Technology of Tsinghua University, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Beijing 100084 (China); Peng, Wei, E-mail: pengwei@tsinghua.edu.cn [Institute of Nuclear and New Energy Technology of Tsinghua University, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Beijing 100084 (China); Shen, Ke [Institute of Nuclear and New Energy Technology of Tsinghua University, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Beijing 100084 (China); Yu, Suyuan, E-mail: suyuan@tsinghua.edu.cn [Center for Combustion Energy, Key Laboratory for Thermal Science and Power Engineering of Ministry of Educations, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China)

    2015-11-15

    Highlights: • Adhesive force of spherical carbonaceous particle MCMBs and HTR-10 graphite matrix debris were measured for the first time. • The measured equivalent works of adhesion were much smaller than the ideal values. • The shape factor and the particle morphology reduce the adhesive force. • The adhesion effect does not change directly with the asperity size. - Abstract: Graphite dust is carbonaceous particles generated during operation of High Temperature Gas-Cooled Reactors (HTR). Graphite dust resuspension is the key behavior associated with HTR source term analyses and environmental safety assessment. The adhesive force is the key factor that determines the resuspension rate. The present study used an atomic force microscope (AFM) to measure the adhesive force between a single carbonaceous particle and the substrate. The measurements were performed on mica, graphite IG110 and Inconel 800H. The prepared “probe cantilevers” were mesocarbon microbeads (MCMB), fuel element debris from HTR-10 and graphite NBG18. The equivalent work of adhesion was derived from the measured adhesive force and calculated based on substrate profile approximation and the JKR theoretical model. The measured work was smaller than the ideal work of adhesion, most likely due to the rough particle morphology and the rough substrate surface. Additionally, a shape factor imposes a constraint on the lateral deformation of the particles. Furthermore, surface roughness could reduce the adhesive force some depending on the particle size. Once the particle was too small to be trapped into a trough, the adhesive force would not be further reduced.

  19. AFM measurements of adhesive forces between carbonaceous particles and the substrates

    International Nuclear Information System (INIS)

    Zhang, Tianqi; Peng, Wei; Shen, Ke; Yu, Suyuan

    2015-01-01

    Highlights: • Adhesive force of spherical carbonaceous particle MCMBs and HTR-10 graphite matrix debris were measured for the first time. • The measured equivalent works of adhesion were much smaller than the ideal values. • The shape factor and the particle morphology reduce the adhesive force. • The adhesion effect does not change directly with the asperity size. - Abstract: Graphite dust is carbonaceous particles generated during operation of High Temperature Gas-Cooled Reactors (HTR). Graphite dust resuspension is the key behavior associated with HTR source term analyses and environmental safety assessment. The adhesive force is the key factor that determines the resuspension rate. The present study used an atomic force microscope (AFM) to measure the adhesive force between a single carbonaceous particle and the substrate. The measurements were performed on mica, graphite IG110 and Inconel 800H. The prepared “probe cantilevers” were mesocarbon microbeads (MCMB), fuel element debris from HTR-10 and graphite NBG18. The equivalent work of adhesion was derived from the measured adhesive force and calculated based on substrate profile approximation and the JKR theoretical model. The measured work was smaller than the ideal work of adhesion, most likely due to the rough particle morphology and the rough substrate surface. Additionally, a shape factor imposes a constraint on the lateral deformation of the particles. Furthermore, surface roughness could reduce the adhesive force some depending on the particle size. Once the particle was too small to be trapped into a trough, the adhesive force would not be further reduced.

  20. Graphite moderator lifecycle behaviour. Proceedings of a specialists meeting

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-08-01

    The meeting provided the forum for graphite specialists representing operating and research organizations worldwide to exchange information in the following areas: the status of graphite development; operation and safety procedures for existing and future graphite moderated reactors; graphite testing techniques; review of the experiences gained and data acquired on the influence of neutron irradiation and oxidizing conditions on key graphite properties; and to exchange information useful for decommissioning activities. The participants provided twenty-seven papers on behalf of their countries and respective technical organizations. An open discussion followed each of the presentations. A consistently reoccurring theme throughout the specialists meeting was the noticeable reduction in the number of graphite experts remaining the nuclear power industry. Graphite moderated power reactors have provided a significant contribution to the generation of electricity throughout the past forty years and will continue to be a prominent energy source for the future. Yet, many of the renowned experts in the field of nuclear graphites are nearing the end of their careers without apparent replacement. This, coupled with changes in the focus on nuclear power by some industrialized countries, has prompted the IAEA to initiate an evaluation on the feasibility and interest by Member States of establishing a central archive facility for the storage of data on irradiated graphites. Refs, figs, tabs.

  1. Graphite moderator lifecycle behaviour. Proceedings of a specialists meeting

    International Nuclear Information System (INIS)

    1996-08-01

    The meeting provided the forum for graphite specialists representing operating and research organizations worldwide to exchange information in the following areas: the status of graphite development; operation and safety procedures for existing and future graphite moderated reactors; graphite testing techniques; review of the experiences gained and data acquired on the influence of neutron irradiation and oxidizing conditions on key graphite properties; and to exchange information useful for decommissioning activities. The participants provided twenty-seven papers on behalf of their countries and respective technical organizations. An open discussion followed each of the presentations. A consistently reoccurring theme throughout the specialists meeting was the noticeable reduction in the number of graphite experts remaining the nuclear power industry. Graphite moderated power reactors have provided a significant contribution to the generation of electricity throughout the past forty years and will continue to be a prominent energy source for the future. Yet, many of the renowned experts in the field of nuclear graphites are nearing the end of their careers without apparent replacement. This, coupled with changes in the focus on nuclear power by some industrialized countries, has prompted the IAEA to initiate an evaluation on the feasibility and interest by Member States of establishing a central archive facility for the storage of data on irradiated graphites. Refs, figs, tabs

  2. Drag reduction in silica nanochannels induced by graphitic wall coatings

    Science.gov (United States)

    Wagemann, Enrique; Walther, J. H.; Zambrano, Harvey A.

    2017-11-01

    Transport of water in hydrophilic nanopores is of significant technological and scientific interest. Water flow through hydrophilic nanochannels is known to experience enormous hydraulic resistance. Therefore, drag reduction is essential for the development of highly efficient nanofluidic devices. In this work, we propose the use of graphitic materials as wall coatings in hydrophilic silica nanopores. Specifically, by conducting atomistic simulations, we investigate the flow inside slit and cylindrical silica channels with walls coated with graphene (GE) layers and carbon nanotubes (CNTs), respectively. We develop realistic force fields to simulate the systems of interest and systematically, compare flow rates in coated and uncoated nanochannels under different pressure gradients. Moreover, we assess the effect that GE and CNT translucencies to wettability have on water hydrodynamics in the nanochannels. The influence of channel size is investigated by systematically varying channel heights and nanopore diameters. In particular, we present the computed water density and velocity profiles, volumetric flow rates, slip lengths and flow enhancements, to clearly demonstrate the drag reduction capabilities of graphitic wall coatings. We wish to thank partial funding from CRHIAM Conicyt/ Fondap Project 15130015 and computational support from DTU and NLHPC (Chile).

  3. Preface: Special Topic: From Quantum Mechanics to Force Fields

    Science.gov (United States)

    Piquemal, Jean-Philip; Jordan, Kenneth D.

    2017-10-01

    This Special Topic issue entitled "From Quantum Mechanics to Force Fields" is dedicated to the ongoing efforts of the theoretical chemistry community to develop a new generation of accurate force fields based on data from high-level electronic structure calculations and to develop faster electronic structure methods for testing and designing force fields as well as for carrying out simulations. This issue includes a collection of 35 original research articles that illustrate recent theoretical advances in the field. It provides a timely snapshot of recent developments in the generation of approaches to enable more accurate molecular simulations of processes important in chemistry, physics, biophysics, and materials science.

  4. Approximate photochemical dynamics of azobenzene with reactive force fields

    Science.gov (United States)

    Li, Yan; Hartke, Bernd

    2013-12-01

    We have fitted reactive force fields of the ReaxFF type to the ground and first excited electronic states of azobenzene, using global parameter optimization by genetic algorithms. Upon coupling with a simple energy-gap transition probability model, this setup allows for completely force-field-based simulations of photochemical cis→trans- and trans→cis-isomerizations of azobenzene, with qualitatively acceptable quantum yields. This paves the way towards large-scale dynamics simulations of molecular machines, including bond breaking and formation (via the reactive force field) as well as photochemical engines (presented in this work).

  5. Force-field compensation in a manual tracking task.

    Directory of Open Access Journals (Sweden)

    Valentina Squeri

    2010-06-01

    Full Text Available This study addresses force/movement control in a dynamic "hybrid" task: the master sub-task is continuous manual tracking of a target moving along an eight-shaped Lissajous figure, with the tracking error as the primary performance index; the slave sub-task is compensation of a disturbing curl viscous field, compatibly with the primary performance index. The two sub-tasks are correlated because the lateral force the subject must exert on the eight-shape must be proportional to the longitudinal movement speed in order to perform a good tracking. The results confirm that visuo-manual tracking is characterized by an intermittent control mechanism, in agreement with previous work; the novel finding is that the overall control patterns are not altered by the presence of a large deviating force field, if compared with the undisturbed condition. It is also found that the control of interaction-forces is achieved by a combination of arm stiffness properties and direct force control, as suggested by the systematic lateral deviation of the trajectories from the nominal path and the comparison between perturbed trials and catch trials. The coordination of the two sub-tasks is quickly learnt after the activation of the deviating force field and is achieved by a combination of force and the stiffness components (about 80% vs. 20%, which is a function of the implicit accuracy of the tracking task.

  6. Graphite curtain vacuum outgassing and heat transfer. Final report

    International Nuclear Information System (INIS)

    Fivel, H.J.; Lang, G.P.; Kipp, H.W.

    1976-12-01

    Thermal conductivity of a bundle of high conductivity graphite fibers (T-50) was measured as a function of temperature, density and fiber orientation at pressures of 10 -4 to 10 -5 torr. All 3 variables had a significant influence on thermal conductivity. The highest conductivity fiber bundle tested had a conductivity significantly less than dense, bulk nuclear grade graphite. The incorporation of heat pipes into a graphite spectral shaper will permit a 2-fold thicker shaper. Heat pipes not only increase the transport of heat within the spectral shaper but can increase heat transfer at the shaper-first wall interface and potentially serve as a means of attaching shaper modules to the first wall. A heat pipe using a liquid metal working fluid was fabricated and tested in magnetic fields of 1 and 2 Tesla. Liquid metal heat pipes can be used in a magnetic field of at least up to 2 Tesla. Much more work needs to be done to establish the capabilities for high performance heat pipes when used in magnetic fields. Four different types of graphite fibers were exposed in EBR-II to a neutron fluence of 3.5 x 10 21 cm -2 EFF at 470 0 C. Large axial shrinkages of 6.6 to 8.6% resulted

  7. Voronoi-Tessellated Graphite Produced by Low-Temperature Catalytic Graphitization from Renewable Resources.

    Science.gov (United States)

    Zhao, Leyi; Zhao, Xiuyun; Burke, Luke T; Bennett, J Craig; Dunlap, Richard A; Obrovac, Mark N

    2017-09-11

    A highly crystalline graphite powder was prepared from the low temperature (800-1000 °C) graphitization of renewable hard carbon precursors using a magnesium catalyst. The resulting graphite particles are composed of Voronoi-tessellated regions comprising irregular sheets; each Voronoi-tessellated region having a small "seed" particle located near their centroid on the surface. This suggests nucleated outward growth of graphitic carbon, which has not been previously observed. Each seed particle consists of a spheroidal graphite shell on the inside of which hexagonal graphite platelets are perpendicularly affixed. This results in a unique high surface area graphite with a high degree of graphitization that is made with renewable feedstocks at temperatures far below that conventionally used for artificial graphites. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. An Electron Microscopy Study of Graphite Growth in Nodular Cast Irons

    Science.gov (United States)

    Laffont, L.; Jday, R.; Lacaze, J.

    2018-04-01

    Growth of graphite during solidification and high-temperature solid-state transformation has been investigated in samples cut out from a thin-wall casting which solidified partly in the stable (iron-graphite) and partly in the metastable (iron-cementite) systems. Transmission electron microscopy has been used to characterize graphite nodules in as-cast state and in samples having been fully graphitized at various temperatures in the austenite field. Nodules in the as-cast material show a twofold structure characterized by an inner zone where graphite is disoriented and an outer zone where it is well crystallized. In heat-treated samples, graphite nodules consist of well-crystallized sectors radiating from the nucleus. These observations suggest that the disoriented zone appears because of mechanical deformation when the liquid contracts during its solidification in the metastable system. During heat-treatment, the graphite in this zone recrystallizes. In turn, it can be concluded that nodular graphite growth mechanism is the same during solidification and solid-state transformation.

  9. Recent developments in graphite. [Use in HTGR and aerospace

    Energy Technology Data Exchange (ETDEWEB)

    Cunningham, J.E.

    1983-01-01

    Overall, the HTGR graphite situation is in excellent shape. In both of the critical requirements, fuel blocks and support structures, adequate graphites are at hand and improved grades are sufficiently far along in truncation. In the aerospace field, GraphNOL N3M permits vehicle performance with confidence in trajectories unobtainable with any other existing material. For fusion energy applications, no other graphite can simultaneously withstand both extreme thermal shock and neutron damage. Hence, the material promises to create new markets as well as to offer a better candidate material for existing applications.

  10. DGR, GGR; molecular dynamical codes for simulating radiation damages in diamond and graphite crystals

    International Nuclear Information System (INIS)

    Taji, Yukichi

    1984-06-01

    Development has been made of molecular dynamical codes DGR and GGR to simulate radiation damages yielded in the diamond and graphite structure crystals, respectively. Though the usual molecular dynamical codes deal only with the central forces as the mutual interactions between atoms, the present codes can take account of noncentral forces to represent the effect of the covalent bonds characteristic of diamond or graphite crystals. It is shown that lattice defects yielded in these crystals are stable by themselves in the present method without any supports of virtual surface forces set on the crystallite surfaces. By this effect the behavior of lattice defects has become possible to be simulated in a more realistic manner. Some examples of the simulation with these codes are shown. (author)

  11. Neutron Reference Benchmark Field Specifications: ACRR Polyethylene-Lead-Graphite (PLG) Bucket Environment (ACRR-PLG-CC-32-CL).

    Energy Technology Data Exchange (ETDEWEB)

    Vega, Richard Manuel [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Parm, Edward J. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Griffin, Patrick J. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Vehar, David W. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-07-01

    This report was put together to support the International Atomic Energy Agency (IAEA) REAL- 2016 activity to validate the dosimetry community’s ability to use a consistent set of activation data and to derive consistent spectral characterizations. The report captures details of integral measurements taken in the Annular Core Research Reactor (ACRR) central cavity with the Polyethylene-Lead-Graphite (PLG) bucket, reference neutron benchmark field. The field is described and an “a priori” calculated neutron spectrum is reported, based on MCNP6 calculations, and a subject matter expert (SME) based covariance matrix is given for this “a priori” spectrum. The results of 37 integral dosimetry measurements in the neutron field are reported.

  12. Surface and electron emission properties of hydrogen-free diamond-like carbon films investigated by atomic force microscopy

    International Nuclear Information System (INIS)

    Liu Dongping; Zhang, Sam; Ong, S.-E.; Benstetter, Guenther; Du Hejun

    2006-01-01

    In this study, we have deposited hydrogen-free diamond-like carbon (DLC) films by using DC magnetron sputtering of graphite target at various r.f. bias voltages. Surface and nanoscale emission properties of these DLC films have been investigated using a combination of atomic force microscopy (AFM)-based nanowear tests and conducting-AFM, by simultaneously measuring the topography and the conductivity of the samples. Nanowear tests show that these DLC films are covered with the thin (1.5-2.0 nm) graphite-like layers at surfaces. Compared to the film bulk structure, the graphite-like surface layers are more conductive. The graphite-like surface layers significantly influence the electron emission properties of these films. Low-energy carbon species can be responsible for the formation of graphite-like surface layers. Nanoscale electron emission measurements have revealed the inhomogeneous emission nature of these films. The low-field emission from these films can be attributed to the existence of sp 2 -configured nanoclusters inside the films

  13. Process for purifying graphite

    International Nuclear Information System (INIS)

    Clausius, R.A.

    1985-01-01

    A process for purifying graphite comprising: comminuting graphite containing mineral matter to liberate at least a portion of the graphite particles from the mineral matter; mixing the comminuted graphite particles containing mineral matter with water and hydrocarbon oil to form a fluid slurry; separating a water phase containing mineral matter and a hydrocarbon oil phase containing grahite particles; and separating the graphite particles from the hydrocarbon oil to obtain graphite particles reduced in mineral matter. Depending upon the purity of the graphite desired, steps of the process can be repeated one or more times to provide a progressively purer graphite

  14. A Study on Field Emission Characteristics of Planar Graphene Layers Obtained from a Highly Oriented Pyrolyzed Graphite Block.

    KAUST Repository

    Lee, Seok Woo; Lee, Seung S; Yang, Eui-Hyeok

    2009-01-01

    This paper describes an experimental study on field emission characteristics of individual graphene layers for vacuum nanoelectronics. Graphene layers were prepared by mechanical exfoliation from a highly oriented pyrolyzed graphite block and placed on an insulating substrate, with the resulting field emission behavior investigated using a nanomanipulator operating inside a scanning electron microscope. A pair of tungsten tips controlled by the nanomanipulator enabled electric connection with the graphene layers without postfabrication. The maximum emitted current from the graphene layers was 170 nA and the turn-on voltage was 12.1 V.

  15. A Study on Field Emission Characteristics of Planar Graphene Layers Obtained from a Highly Oriented Pyrolyzed Graphite Block.

    KAUST Repository

    Lee, Seok Woo

    2009-07-12

    This paper describes an experimental study on field emission characteristics of individual graphene layers for vacuum nanoelectronics. Graphene layers were prepared by mechanical exfoliation from a highly oriented pyrolyzed graphite block and placed on an insulating substrate, with the resulting field emission behavior investigated using a nanomanipulator operating inside a scanning electron microscope. A pair of tungsten tips controlled by the nanomanipulator enabled electric connection with the graphene layers without postfabrication. The maximum emitted current from the graphene layers was 170 nA and the turn-on voltage was 12.1 V.

  16. Software Process Improvement Using Force Field Analysis ...

    African Journals Online (AJOL)

    An improvement plan is then drawn and implemented. This paper studied the state of Nigerian software development organizations based on selected attributes. Force field analysis is used to partition the factors obtained into driving and restraining forces. An attempt was made to improve the software development process ...

  17. Purification and preparation of graphite oxide from natural graphite

    Energy Technology Data Exchange (ETDEWEB)

    Panatarani, C., E-mail: c.panatarani@phys.unpad.ac.id; Muthahhari, N.; Joni, I. Made [Instrumentation Systems and Functional Material Processing Laboratory, Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Padjadjaran, Padjadjaran University, Jl. Raya Bandung-Sumedang KM 21, Jatinangor, 45363, Jawa Barat (Indonesia); Rianto, Anton [Grafindo Nusantara Ltd., Belagio Mall Lantai 2, Unit 0 L3-19, Kawasan Mega Kuningan, Kav. B4 No.3, Jakarta Selatan (Indonesia)

    2016-03-11

    Graphite oxide has attracted much interest as a possible route for preparation of natural graphite in the large-scale production and manipulation of graphene as a material with extraordinary electronic properties. Graphite oxide was prepared by modified Hummers method from purified natural graphite sample from West Kalimantan. We demonstrated that natural graphite is well-purified by acid leaching method. The purified graphite was proceed for intercalating process by modifying Hummers method. The modification is on the reaction time and temperature of the intercalation process. The materials used in the intercalating process are H{sub 2}SO{sub 4} and KMNO{sub 4}. The purified natural graphite is analyzed by carbon content based on Loss on Ignition test. The thermo gravimetricanalysis and the Fouriertransform infrared spectroscopy are performed to investigate the oxidation results of the obtained GO which is indicated by the existence of functional groups. In addition, the X-ray diffraction and energy dispersive X-ray spectroscopy are also applied to characterize respectively for the crystal structure and elemental analysis. The results confirmed that natural graphite samples with 68% carbon content was purified into 97.68 % carbon content. While the intercalation process formed a formation of functional groups in the obtained GO. The results show that the temperature and reaction times have improved the efficiency of the oxidation process. It is concluded that these method could be considered as an important route for large-scale production of graphene.

  18. Force-free magnetic fields - The magneto-frictional method

    Science.gov (United States)

    Yang, W. H.; Sturrock, P. A.; Antiochos, S. K.

    1986-01-01

    The problem under discussion is that of calculating magnetic field configurations in which the Lorentz force j x B is everywhere zero, subject to specified boundary conditions. We choose to represent the magnetic field in terms of Clebsch variables in the form B = grad alpha x grad beta. These variables are constant on any field line so that each field line is labeled by the corresponding values of alpha and beta. When the field is described in this way, the most appropriate choice of boundary conditions is to specify the values of alpha and beta on the bounding surface. We show that such field configurations may be calculated by a magneto-frictional method. We imagine that the field lines move through a stationary medium, and that each element of magnetic field is subject to a frictional force parallel to and opposing the velocity of the field line. This concept leads to an iteration procedure for modifying the variables alpha and beta, that tends asymptotically towards the force-free state. We apply the method first to a simple problem in two rectangular dimensions, and then to a problem of cylindrical symmetry that was previously discussed by Barnes and Sturrock (1972). In one important respect, our new results differ from the earlier results of Barnes and Sturrock, and we conclude that the earlier article was in error.

  19. Effect of Graphite Concentration on Shear-Wave Speed in Gelatin-Based Tissue-Mimicking Phantoms

    Science.gov (United States)

    Anderson, Pamela G.; Rouze, Ned C.; Palmeri, Mark L.

    2011-01-01

    Elasticity-based imaging modalities are becoming popular diagnostic tools in clinical practice. Gelatin-based, tissue mimicking phantoms that contain graphite as the acoustic scattering material are commonly used in testing and validating elasticity-imaging methods to quantify tissue stiffness. The gelatin bloom strength and concentration are used to control phantom stiffness. While it is known that graphite concentration can be modulated to control acoustic attenuation, the impact of graphite concentrationon phantom elasticity has not been characterized in these gelatin phantoms. This work investigates the impact of graphite concentration on phantom shear stiffness as characterized by shear-wave speed measurements using impulsive acoustic-radiation-force excitations. Phantom shear-wave speed increased by 0.83 (m/s)/(dB/(cm MHz)) when increasing the attenuation coefficient slope of the phantom material through increasing graphite concentration. Therefore, gelatin-phantom stiffness can be affected by the conventional ways that attenuation is modulated through graphite concentration in these phantoms. PMID:21710828

  20. Energy of Force-Free Magnetic Fields in Relation to Coronal Mass Ejections

    International Nuclear Information System (INIS)

    Choe, G.S.; Cheng, C.Z.

    2002-01-01

    In typical observations of coronal mass ejections (CMEs), a magnetic structure of a helmet-shaped closed configuration bulges out and eventually opens up. However, a spontaneous transition between these field configurations has been regarded to be energetically impossible in force-free fields according to the Aly-Sturrock theorem. The theorem states that the maximum energy state of force-free fields with a given boundary normal field distribution is the open field. The theorem implicitly assumes the existence of the maximum energy state, which may not be taken for granted. In this study, we have constructed force-free fields containing tangential discontinuities in multiple flux systems. These force-free fields can be generated from a potential field by footpoint motions that do not conserve the boundary normal field distribution. Some of these force-free fields are found to have more magnetic energy than the corresponding open fields. The constructed force-free configurations are compared with observational features of CME-bearing active regions. Possible mechanisms of CMEs are also discussed

  1. Nanomaterials for in vivo imaging of mechanical forces and electrical fields

    Science.gov (United States)

    Mehlenbacher, Randy D.; Kolbl, Rea; Lay, Alice; Dionne, Jennifer A.

    2018-02-01

    Cellular signalling is governed in large part by mechanical forces and electromagnetic fields. Mechanical forces play a critical role in cell differentiation, tissue organization and diseases such as cancer and heart disease; electrical fields are essential for intercellular communication, muscle contraction, neural signalling and sensory perception. Therefore, quantifying a biological system's forces and fields is crucial for understanding physiology and disease pathology and for developing medical tools for repair and recovery. This Review highlights advances in sensing mechanical forces and electrical fields in vivo, focusing on optical probes. The emergence of biocompatible optical probes, such as genetically encoded voltage indicators, molecular rotors, fluorescent dyes, semiconducting nanoparticles, plasmonic nanoparticles and lanthanide-doped upconverting nanoparticles, offers exciting opportunities to push the limits of spatial and temporal resolution, stability, multi-modality and stimuli sensitivity in bioimaging. We further discuss the materials design principles behind these probes and compare them across various metrics to facilitate sensor selection. Finally, we examine which advances are necessary to fully unravel the role of mechanical forces and electrical fields in vivo, such as the ability to probe the vectorial nature of forces, the development of combined force and field sensors, and the design of efficient optical actuators.

  2. Heat Transfer During Evaporation of Cesium From Graphite Surface in an Argon Environment

    Directory of Open Access Journals (Sweden)

    Bespala Evgeny

    2016-01-01

    Full Text Available The article focuses on discussion of problem of graphite radioactive waste formation and accumulation. It is shown that irradiated nuclear graphite being inalienable part of uranium-graphite reactor may contain fission and activation products. Much attention is given to the process of formation of radioactive cesium on the graphite element surface. It is described a process of plasma decontamination of irradiated graphite in inert argon atmosphere. Quasi-one mathematical model is offered, it describes heat transfer process in graphite-cesium-argon system. Article shows results of calculation of temperature field inside the unit cell. Authors determined the factors which influence on temperature change.

  3. Superhydrophilic graphite surfaces and water-dispersible graphite colloids by electrochemical exfoliation

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yueh-Feng [Department of Chemical and Materials Engineering, National Central University, Jhongli, 320 Taiwan (China); Chen, Shih-Ming; Lai, Wei-Hao [Materials and Chemical Research Laboratories, Industrial Technology Research Institute, Chutung, Hsinchu, 31040 Taiwan (China); Sheng, Yu-Jane [Department of Chemical Engineering, National Taiwan University, Taipei, 106 Taiwan (China); Tsao, Heng-Kwong [Department of Chemical and Materials Engineering, Department of Physics, National Central University, Jhongli, 320 Taiwan (China)

    2013-08-14

    Superhydrophilic graphite surfaces and water-dispersible graphite colloids are obtained by electrochemical exfoliation with hydrophobic graphite electrodes. Such counterintuitive characteristics are caused by partial oxidation and investigated by examining both graphite electrodes and exfoliated particles after electrolysis. The extent of surface oxidation can be explored through contact angle measurement, scanning electron microscope, electrical sheet resistance, x-ray photoelectron spectroscopy, zeta-potential analyzer, thermogravimetric analysis, UV-visible, and Raman spectroscopy. The degree of wettability of the graphite anode can be altered by the electrolytic current and time. The water contact angle declines generally with increasing the electrolytic current or time. After a sufficient time, the graphite anode becomes superhydrophilic and its hydrophobicity can be recovered by peeling with adhesive tape. This consequence reveals that the anodic graphite is oxidized by oxygen bubbles but the oxidation just occurs at the outer layers of the graphite sheet. Moreover, the characteristics of oxidation revealed by UV peak shift, peak ratio between D and G bands, and negative zeta-potential indicate the presence of graphite oxide on the outer shell of the exfoliated colloids. However, thermogravimetric analysis for the extent of decomposition of oxygen functional groups verifies that the amount of oxygen groups is significantly less than that of graphite oxide prepared via Hummer method. The structure of this partially oxidized graphite may consist of a graphite core covered with an oxidized shell. The properties of the exfoliated colloids are also influenced by pH of the electrolytic solution. As pH is increased, the extent of oxidation descends and the thickness of oxidized shell decreases. Those results reveal that the degree of oxidation of exfoliated nanoparticles can be manipulated simply by controlling pH.

  4. Martini Force Field Parameters for Glycolipids

    NARCIS (Netherlands)

    Lopez, Cesar A.; Sovova, Zofie; van Eerden, Floris J.; de Vries, Alex H.; Marrink, Siewert J.

    We present an extension of the Martini coarse-grained force field to glycolipids. The glycolipids considered here are the glycoglycerolipids monogalactosyldiacylglycerol (MGDG), sulfoquinovosyldiacylglycerol (SQDG), digalactosyldiacylglycerol (DGDG), and phosphatidylinositol (PI) and its

  5. Thermally exfoliated graphite oxide

    Science.gov (United States)

    Prud'Homme, Robert K. (Inventor); Aksay, Ilhan A. (Inventor); Abdala, Ahmed (Inventor)

    2011-01-01

    A modified graphite oxide material contains a thermally exfoliated graphite oxide with a surface area of from about 300 sq m/g to 2600 sq m/g, wherein the thermally exfoliated graphite oxide displays no signature of the original graphite and/or graphite oxide, as determined by X-ray diffraction.

  6. Corrosion behavior of a positive graphite electrode in vanadium redox flow battery

    International Nuclear Information System (INIS)

    Liu Huijun; Xu Qian; Yan Chuanwei; Qiao Yonglian

    2011-01-01

    Graphical abstract: The overpotential for gas evolution on positive graphite electrode decreases due to the functional groups of COOH and C=O introduced on the surface of graphite electrode during corrosion process, which can self-catalyze the oxidation of carbon atoms therefore, accelerates corrosion process. Highlights: → Initial potential for gas evolution is higher than 1.60 V vs SCE. → Factors affecting the graphite corrosion are investigated. → Functional groups of COOH and C=O introduced during corrosion process. → The groups can self-catalyze the oxidation of carbon atoms. - Abstract: The graphite plate is easily suffered from corosion because of CO 2 evolution when it acts as the positive electrode for vanadium redox flow battery. The aim is to obtain the initial potential for gas evolution on a positive graphite electrode in 2 mol dm -3 H 2 SO 4 + 2 mol dm -3 VOSO 4 solution. The effects of polarization potential, operating temperature and polarization time on extent of graphite corrosion are investigated by potentiodynamic and potentiostatic techniques. The surface characteristics of graphite electrode before and after corrosion are examined by scanning electron microscopy, atomic force microscopy, and X-ray photoelectron spectroscopy. The results show that the gas begins to evolve on the graphite electrode when the anodic polarization potential is higher than 1.60 V vs saturated calomel electrode at 20 deg. C. The CO 2 evolution on the graphite electrode can lead to intergranular corrosion of the graphite when the polarization potential reaches 1.75 V. In addition, the functional groups of COOH and C=O introduced on the surface of graphite electrode during corrosion can catalyze the formation of CO 2 , therefore, accelerates the corrosion rate of graphite electrode.

  7. Electrical properties of Egyptian natural graphite

    International Nuclear Information System (INIS)

    El-Shazly, O.; El-Wahidy, E.F.; Elanany, N.; Saad, N.A.

    1992-06-01

    The electrical properties of Egyptian natural graphite flakes, obtained from the graphite schists of Wadi Bent, Eastern Desert, were measured. The flakes were ground and compressed into pellets. The standard four probe dc method was used to measure the temperature dependence of the electric resistivity from room temperature down to 12 K. The transverse and longitudinal magnetoresistance were measured in the low magnetic field range at temperatures 300 K, 77 K and 12 K. The transverse magnetoresistance data was used to estimate the average mobility, assuming a simple two-band model. (author). 20 refs, 4 figs, 1 tab

  8. Generalized force in classical field theory. [Euler-Lagrange equations

    Energy Technology Data Exchange (ETDEWEB)

    Krause, J [Universidad Central de Venezuela, Caracas

    1976-02-01

    The source strengths of the Euler-Lagrange equations, for a system of interacting fields, are heuristically interpreted as generalized forces. The canonical form of the energy-momentum tensor thus consistently appears, without recourse to space-time symmetry arguments. A concept of 'conservative' generalized force in classical field theory is also briefly discussed.

  9. Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

    Science.gov (United States)

    2016-01-01

    In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can be observed when looking at properties sensitive to framework vibrational modes. This observation is more pronounced upon the introduction of framework charges. PMID:28008758

  10. Communication: Multiple atomistic force fields in a single enhanced sampling simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hoang Viet, Man [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202 (United States); Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France); Institut Universitaire de France, 103 Bvd Saint-Germain, 75005 Paris (France); Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France)

    2015-07-14

    The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

  11. Progress in Developing Finite Element Models Replicating Flexural Graphite Testing

    International Nuclear Information System (INIS)

    Bratton, Robert

    2010-01-01

    This report documents the status of flexural strength evaluations from current ASTM procedures and of developing finite element models predicting the probability of failure. This work is covered under QLD REC-00030. Flexural testing procedures of the American Society for Testing and Materials (ASTM) assume a linear elastic material that has the same moduli for tension and compression. Contrary to this assumption, graphite is known to have different moduli for tension and compression. A finite element model was developed and demonstrated that accounts for the difference in moduli tension and compression. Brittle materials such as graphite exhibit significant scatter in tensile strength, so probabilistic design approaches must be used when designing components fabricated from brittle materials. ASTM procedures predicting probability of failure in ceramics were compared to methods from the current version of the ASME graphite core components rules predicting probability of failure. Using the ASTM procedures yields failure curves at lower applied forces than the ASME rules. A journal paper was published in the Journal of Nuclear Engineering and Design exploring the statistical models of fracture in graphite.

  12. Frictional characteristics of silicon graphite lubricated with water at high pressure and high temperature

    International Nuclear Information System (INIS)

    Lee, Jae Seon; Kim, Eun Hyun; Park, Jin Seok; Kim, Jong In

    2001-01-01

    Experimental frictional and wear characteristics of silicon graphite materials is studied in this paper. Those specimens are lubricated with high temperature and highly pressurized water to simulate the same operating condition for the journal bearing and the thrust bearing on the main coolant pump bearing in the newly developing nuclear reactor named SMART(System-integrated Modular Advanced ReacTor). Operating condition of the bearings is realized by the tribometer and the autoclave. Friction coefficient and wear loss are analyzed to choose the best silicon graphite material. Pin on plate test specimens are used and coned disk springs are used to control the applied force on the specimens. Wear loss and wear width are measured by a precision balance and a micrometer. The friction force is measured by the strain gauge which can be used under high temperature and high pressure. Three kinds of silicon graphite materials are examined and compared with each other, and each material shows similar but different results on frictional and wear characteristics

  13. Dynamics of solar magnetic fields. VI. Force-free magnetic fields and motions of magnetic foot-points

    International Nuclear Information System (INIS)

    Low, B.C.; Nakagawa, Y.

    1975-01-01

    A mathematical model is developed to consider the evolution of force-free magnetic fields in relation to the displacements of their foot-points. For a magnetic field depending on only two Cartesian coordinates and time, the problem reduces to solving a nonlinear elliptic partial differential equation. As illustration of the physical process, two specific examples of evolving force-free magnetic fields are examined in detail, one evolving with rising and the other with descending field lines. It is shown that these two contrasting behaviors of the field lines correspond to sheared motions of their foot-points of quite different characters. The physical implications of these two examples of evolving force-free magnetic fields are discussed. (auth)

  14. Perspective: Ab initio force field methods derived from quantum mechanics

    Science.gov (United States)

    Xu, Peng; Guidez, Emilie B.; Bertoni, Colleen; Gordon, Mark S.

    2018-03-01

    It is often desirable to accurately and efficiently model the behavior of large molecular systems in the condensed phase (thousands to tens of thousands of atoms) over long time scales (from nanoseconds to milliseconds). In these cases, ab initio methods are difficult due to the increasing computational cost with the number of electrons. A more computationally attractive alternative is to perform the simulations at the atomic level using a parameterized function to model the electronic energy. Many empirical force fields have been developed for this purpose. However, the functions that are used to model interatomic and intermolecular interactions contain many fitted parameters obtained from selected model systems, and such classical force fields cannot properly simulate important electronic effects. Furthermore, while such force fields are computationally affordable, they are not reliable when applied to systems that differ significantly from those used in their parameterization. They also cannot provide the information necessary to analyze the interactions that occur in the system, making the systematic improvement of the functional forms that are used difficult. Ab initio force field methods aim to combine the merits of both types of methods. The ideal ab initio force fields are built on first principles and require no fitted parameters. Ab initio force field methods surveyed in this perspective are based on fragmentation approaches and intermolecular perturbation theory. This perspective summarizes their theoretical foundation, key components in their formulation, and discusses key aspects of these methods such as accuracy and formal computational cost. The ab initio force fields considered here were developed for different targets, and this perspective also aims to provide a balanced presentation of their strengths and shortcomings. Finally, this perspective suggests some future directions for this actively developing area.

  15. Environmentally benign graphite intercalation compound composition for exfoliated graphite, flexible graphite, and nano-scaled graphene platelets

    Science.gov (United States)

    Zhamu, Aruna; Jang, Bor Z.

    2014-06-17

    A carboxylic-intercalated graphite compound composition for the production of exfoliated graphite, flexible graphite, or nano-scaled graphene platelets. The composition comprises a layered graphite with interlayer spaces or interstices and a carboxylic acid residing in at least one of the interstices, wherein the composition is prepared by a chemical oxidation reaction which uses a combination of a carboxylic acid and hydrogen peroxide as an intercalate source. Alternatively, the composition may be prepared by an electrochemical reaction, which uses a carboxylic acid as both an electrolyte and an intercalate source. Exfoliation of the invented composition does not release undesirable chemical contaminants into air or drainage.

  16. Exploring the electrochemical performance of graphitic paste electrodes: graphene vs. graphite.

    Science.gov (United States)

    Figueiredo-Filho, Luiz C S; Brownson, Dale A C; Gómez-Mingot, Maria; Iniesta, Jesús; Fatibello-Filho, Orlando; Banks, Craig E

    2013-11-07

    We report the fabrication, characterisation (SEM, TEM, XPS and Raman spectroscopy) and electrochemical implementation of a graphene paste electrode. The paste electrodes utilised are constructed by simply mixing graphene with mineral oil (which acts as a binder) prior to loading the resultant paste into a piston-driven polymeric-tubing electrode-shell, where this electrode configuration allows for rapid renewal of the electrode surface. The fabricated paste electrode is electrochemically characterised using both inner-sphere and outer-sphere redox probes, namely potassium ferrocyanide(ii), hexaammine-ruthenium(iii) chloride and hexachloroiridate(iii), in addition to the biologically relevant and electroactive analytes, l-ascorbic acid (AA) and uric acid (UA). Comparisons are made with a graphite paste alternative and the benefits of graphene implementation as a paste electrode within electrochemistry are explored, as well as the characterisation of their electroanalytical performances. We reveal no observable differences in the electrochemical performance and thus suggest that there are no advantages of using graphene over graphite in the fabrication of paste electrodes. Such work is highly important and informative for those working in the field of electroanalysis where electrochemistry can provide portable, rapid, reliable and accurate sensing protocols (bringing the laboratory into the field), with particular relevance to those searching for new electrode materials.

  17. A new united atom force field for adsorption of alkenes in zeolites

    NARCIS (Netherlands)

    Liu, B.; Smit, B.; Rey, F.; Valencia, S.; Calero, S.

    2008-01-01

    A new united atom force field was developed that accurately describes the adsorption properties of linear alkenes in zeolites. The force field was specifically designed for use in the inhomogeneous system and therefore a truncated and shifted potential was used. With the determined force field, we

  18. Production of nuclear graphite in France; Production de graphite nucleaire en France

    Energy Technology Data Exchange (ETDEWEB)

    Legendre, P; Mondet, L [Societe Pechiney, 74 - Chedde (France); Arragon, Ph; Cornuault, P; Gueron, J; Hering, H [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1955-07-01

    The graphite intended for the construction of the reactors is obtained by the usual process: confection of a cake from coke of oil and tar, cooked (in a electric oven) then the product of cook is graphitized, also by electric heating. The use of the air transportation and the control of conditions cooking and graphitization have permitted to increase the nuclear graphite production as well as to better control their physical and mechanical properties and to reduce to the minimum the unwanted stains. (M.B.) [French] Le graphite destine a la construction des reacteurs est obtenu par le procede usuel: confection d'une pate a partir de coke de petrole et de brai, cuisson de cette pate (au four electrique) puis graphitation du produit cuit, egalement par chauffage electrique. L'usage du transport pneumatique et le controle des conditions cuisson et de graphitation ont permit d'augmenter la production de graphite nucleaire ainsi que de mieux controler ses proprietes physiques et mecaniques et de reduire au minimum les souillures accidentelles. (M.B.)

  19. Solitons in a random force field

    International Nuclear Information System (INIS)

    Bass, F.G.; Konotop, V.V.; Sinitsyn, Y.A.

    1985-01-01

    We study the dynamics of a soliton of the sine-Gordon equation in a random force field in the adiabatic approximation. We obtain an Einstein-Fokker equation and find the distribution function for the soliton parameters which we use to evaluate its statistical characteristics. We derive an equation for the averaged functions of the soliton parameters. We determine the limits of applicability of the delta-correlated in time random field approximation

  20. A comparative study of graphene and graphite-based field effect transistor on flexible substrate

    Science.gov (United States)

    Bhatt, Kapil; Rani, Cheenu; Vaid, Monika; Kapoor, Ankit; Kumar, Pramod; Kumar, Sandeep; Shriwastawa, Shilpi; Sharma, Sandeep; Singh, Randhir; Tripathi, C. C.

    2018-06-01

    In the present era, there has been a great demand of cost-effective, biodegradable, flexible and wearable electronics which may open the gate to many applications like flexible displays, RFID tags, health monitoring devices, etc. Due to the versatile nature of plastic substrates, they have been extensively used in packaging, printing, etc. However, the fabrication of electronic devices requires specially prepared substrates with high quality surfaces, chemical compositions and solutions to the related fabrication issues along with its non-biodegradable nature. Therefore, in this report, a cost-effective, biodegradable cellulose paper as an alternative dielectric substrate material for the fabrication of flexible field effect transistor (FET) is presented. The graphite and liquid phase exfoliated graphene have been used as the material for the realisation of source, drain and channel on cellulose paper substrate for its comparative analysis. The mobility of fabricated FETs was calculated to be 83 cm2/V s (holes) and 33 cm2/V s (electrons) for graphite FET and 100 cm2/V s (holes) and 52 cm2/V s (electrons) for graphene FET, respectively. The output characteristic of the device demonstrates the linear behaviour and a comprehensive increase in conductance as a function of gate voltages. The fabricated FETs may be used for strain sensing, health care monitoring devices, human motion detection, etc.

  1. Magnetic response of certain curved graphitic geometries

    International Nuclear Information System (INIS)

    Wang, L.; Davids, P.S.; Saxena, A.; Bishop, A.R.

    1992-01-01

    The quasi-particle energy spectra associated with some members of buckyfamily (curved graphitic geometries), in particular C 50 , C 60 , C 70 and related fullerenes as well as coaxial helical microtubules of graphite, are obtained analytically within the mean-field approximation. These energy spectra are then used to calculate various response functions. Specifically, we calculate the specific heat, magnetization and magnetic susceptibility in the presence of an external magnetic field at low temperatures. For a single microtubule an extra peak superimposed on the first de Haas van Alphen (dHvA) oscillation in magnetic susceptibility is found in the 50--170 Tesla range depending on the radius which is possibly accessible in special (explosive flux compression) experiments. Finally, we point to important potential applications of these novel mesoscopic structures in nanotechnology

  2. Estimation of Graphite Dust Production in ITER TBM

    International Nuclear Information System (INIS)

    Kang, Ji Ho; Kim, Eung Seon

    2013-01-01

    This scheme uses simple equations and the calculation time is much less than others. However, the contact equation requires a specially tuned material properties and instability of system matrix were reported. Second, only a couple of pebbles were modeled using FEM(Finite Element Method) and appropriate boundary and loading conditions are imposed. This scheme gives a detailed information of stress distribution of the pebbles and the stability of calculation is well established. However, the calculation cost is fairly high and only a few pebble can be analyzed in detail at a time with specifically assigned contact conditions. In this study, a prediction model of graphite dust production in ITER(International Thermonuclear Experimental Reactor) TBM(Test Blanket Module) using FEM was introduced and the amount of dust production for an operation cycle was estimated. In this study, graphite dust generation in the reflector zone of ITER TBM was estimated using FE analysis. A unit-cell model was defined to simulate normal contact forces and slip distances on contact points between the center pebble and the surrounding pebbles. The dust production was calculated using Archard equation. The simulation was repeated with different friction coefficient of graphite material to investigate the effect of friction on the dust production. The calculation result showed that the amount of dust production was 2.22∼3.67e-4 g/m 3 which was almost linearly proportional to the friction coefficient of graphite material. The amount of graphite dust production was considered too much small for a dust explosion

  3. Relativistic derivation of the ponderomotive force produced by two intense laser fields

    International Nuclear Information System (INIS)

    Stroscio, M.A.

    1985-01-01

    The ponderomotive force plays a fundamental role in the absorption of laser light on self-consistent plasma density profiles, in multiple-photon ionization, and in intense field electrodynamics. The relativistic corrections to the ponderomotive force of a transversely polarized electromagnetic wave lead to an approximately 20-percent reduction in the single particle ponderomotive force produced by a 10-γm 10 16 -W/cm 2 laser field. Recent experimental investigations are based on using two intense laser fields to produce desired lasermatter interactions. This paper presents the first derivation of the nonlinear relativistic ponderomotive force produced by two intense laser fields. The results demonstrate that relativistic ponderomotive forces are not additive

  4. Improved Parameters for the Martini Coarse-Grained Protein Force Field

    NARCIS (Netherlands)

    de Jong, Djurre H.; Singh, Gurpreet; Bennett, W. F. Drew; Arnarez, Clement; Wassenaar, Tsjerk A.; Schafer, Lars V.; Periole, Xavier; Tieleman, D. Peter; Marrink, Siewert J.

    The Martini coarse-grained force field has been successfully used for simulating a wide range of (bio)molecular systems. Recent progress in our ability to test the model against fully atomistic force fields, however, has revealed some shortcomings. Most notable, phenylalanine and proline were too

  5. Thermodynamic properties for applications in chemical industry via classical force fields.

    Science.gov (United States)

    Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

    2012-01-01

    Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

  6. Energy of Force-Free Magnetic Fields in Relation to Coronal Mass Ejections; TOPICAL

    International Nuclear Information System (INIS)

    G.S. Choe; C.Z. Cheng

    2002-01-01

    In typical observations of coronal mass ejections (CMEs), a magnetic structure of a helmet-shaped closed configuration bulges out and eventually opens up. However, a spontaneous transition between these field configurations has been regarded to be energetically impossible in force-free fields according to the Aly-Sturrock theorem. The theorem states that the maximum energy state of force-free fields with a given boundary normal field distribution is the open field. The theorem implicitly assumes the existence of the maximum energy state, which may not be taken for granted. In this study, we have constructed force-free fields containing tangential discontinuities in multiple flux systems. These force-free fields can be generated from a potential field by footpoint motions that do not conserve the boundary normal field distribution. Some of these force-free fields are found to have more magnetic energy than the corresponding open fields. The constructed force-free configurations are compared with observational features of CME-bearing active regions. Possible mechanisms of CMEs are also discussed

  7. Novel concepts in near-field optics: from magnetic near-field to optical forces

    Science.gov (United States)

    Yang, Honghua

    Driven by the progress in nanotechnology, imaging and spectroscopy tools with nanometer spatial resolution are needed for in situ material characterizations. Near-field optics provides a unique way to selectively excite and detect elementary electronic and vibrational interactions at the nanometer scale, through interactions of light with matter in the near-field region. This dissertation discusses the development and applications of near-field optical imaging techniques, including plasmonic material characterization, optical spectral nano-imaging and magnetic field detection using scattering-type scanning near-field optical microscopy (s-SNOM), and exploring new modalities of optical spectroscopy based on optical gradient force detection. Firstly, the optical dielectric functions of one of the most common plasmonic materials---silver is measured with ellipsometry, and analyzed with the Drude model over a broad spectral range from visible to mid-infrared. This work was motivated by the conflicting results of previous measurements, and the need for accurate values for a wide range of applications of silver in plasmonics, optical antennas, and metamaterials. This measurement provides a reference for dielectric functions of silver used in metamaterials, plasmonics, and nanophotonics. Secondly, I implemented an infrared s-SNOM instrument for spectroscopic nano-imaging at both room temperature and low temperature. As one of the first cryogenic s-SNOM instruments, the novel design concept and key specifications are discussed. Initial low-temperature and high-temperature performances of the instrument are examined by imaging of optical conductivity of vanadium oxides (VO2 and V2O 3) across their phase transitions. The spectroscopic imaging capability is demonstrated on chemical vibrational resonances of Poly(methyl methacrylate) (PMMA) and other samples. The third part of this dissertation explores imaging of optical magnetic fields. As a proof-of-principle, the magnetic

  8. Oxidation Resistant Graphite Studies

    Energy Technology Data Exchange (ETDEWEB)

    W. Windes; R. Smith

    2014-07-01

    The Very High Temperature Reactor (VHTR) Graphite Research and Development Program is investigating doped nuclear graphite grades exhibiting oxidation resistance. During a oxygen ingress accident the oxidation rates of the high temperature graphite core region would be extremely high resulting in significant structural damage to the core. Reducing the oxidation rate of the graphite core material would reduce the structural effects and keep the core integrity intact during any air-ingress accident. Oxidation testing of graphite doped with oxidation resistant material is being conducted to determine the extent of oxidation rate reduction. Nuclear grade graphite doped with varying levels of Boron-Carbide (B4C) was oxidized in air at nominal 740°C at 10/90% (air/He) and 100% air. The oxidation rates of the boronated and unboronated graphite grade were compared. With increasing boron-carbide content (up to 6 vol%) the oxidation rate was observed to have a 20 fold reduction from unboronated graphite. Visual inspection and uniformity of oxidation across the surface of the specimens were conducted. Future work to determine the remaining mechanical strength as well as graphite grades with SiC doped material are discussed.

  9. Ponderomotive force, magnetic fields and hydrodynamics of laser produced plasmas

    International Nuclear Information System (INIS)

    Bobin, J.-L.; Wee Woo; Degroot, J.-S.

    1977-01-01

    Nonlinear effects deeply change the structure of a laser driven plasma flow. For high intensities, the radiation pressure should be taken into account. It acts through a ponderomotive force proportional to the electron density and to the gradient of the mean electric field energy density of the incident wave. Static magnetic fields originate from a term in the ponderomotive force which includes radiation absorption and whose curl is non zero. The basic properties of the structure are determined analytically in the absence of thermal conductivity and magnetic fields: steep density gradient close to the cut-off density, shelf at lower densities. The conditions of a steady state regime are set up. The isothermal case is specially investigated. It is shown that the cavities which are created in a motionless plasma may disappear due to the onset of a flow. Regions in which electromagnetic forces arising from the static field compensate the ponderomotive force are determined. The subsequent effects on the flow itself are studied [fr

  10. Interaction of boron with graphite: A van der Waals density functional study

    International Nuclear Information System (INIS)

    Liu, Juan; Wang, Chen; Liang, Tongxiang; Lai, Wensheng

    2016-01-01

    Highlights: • A van der Waals density-functional approach is applied to study the interaction of boron with graphite. • VdW-DF functionals give fair agreement of crystal parameters with experiments. • The π electron approaches boron while adsorbing on graphite surface. • The hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. • PBE cannot describe the interstitial boron in graphite because of the ignoring binding of graphite sheets. - Abstract: Boron doping has been widely investigated to improve oxidation resistance of graphite. In this work the interaction of boron with graphite is investigated by a van der Waals density-functional approach (vdW-DF). The traditional density-functional theory (DFT) is well accounted for the binding in boron-substituted graphite. However, to investigate the boron atom on graphite surface and the interstitial impurities require use of a description of graphite interlayer binding. Traditional DFT cannot describe the vdW physics, for instance, GGA calculations show no relevant binding between graphite sheets. LDA shows some binding, but they fail to provide an accurate account of vdW forces. In this paper, we compare the calculation results of graphite lattice constant and cohesive energy by several functionals, it shows that vdW-DF such as two optimized functionals optB88-vdW and optB86b-vdW give much improved results than traditional DFT. The vdW-DF approach is then applied to study the interaction of boron with graphite. Boron adsorption, substitution, and intercalation are discussed in terms of structural parameters and electronic structures. When adsorbing on graphite surface, boron behaves as π electron acceptor. The π electron approaches boron atom because of more electropositive of boron than carbon. For substitution situation, the hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. The B-doped graphite system with the hole has less

  11. Interaction of boron with graphite: A van der Waals density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Juan; Wang, Chen [Beijing Key Lab of Fine Ceramics, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Liang, Tongxiang, E-mail: txliang@tsinghua.edu.cn [State Key Lab of New Ceramic and Fine Processing, Tsinghua University, Beijing 100084 (China); Lai, Wensheng [Advanced Material Laboratory, School of Materials Science & Engineering, Tsinghua University, Beijing, 100084 (China)

    2016-08-30

    Highlights: • A van der Waals density-functional approach is applied to study the interaction of boron with graphite. • VdW-DF functionals give fair agreement of crystal parameters with experiments. • The π electron approaches boron while adsorbing on graphite surface. • The hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. • PBE cannot describe the interstitial boron in graphite because of the ignoring binding of graphite sheets. - Abstract: Boron doping has been widely investigated to improve oxidation resistance of graphite. In this work the interaction of boron with graphite is investigated by a van der Waals density-functional approach (vdW-DF). The traditional density-functional theory (DFT) is well accounted for the binding in boron-substituted graphite. However, to investigate the boron atom on graphite surface and the interstitial impurities require use of a description of graphite interlayer binding. Traditional DFT cannot describe the vdW physics, for instance, GGA calculations show no relevant binding between graphite sheets. LDA shows some binding, but they fail to provide an accurate account of vdW forces. In this paper, we compare the calculation results of graphite lattice constant and cohesive energy by several functionals, it shows that vdW-DF such as two optimized functionals optB88-vdW and optB86b-vdW give much improved results than traditional DFT. The vdW-DF approach is then applied to study the interaction of boron with graphite. Boron adsorption, substitution, and intercalation are discussed in terms of structural parameters and electronic structures. When adsorbing on graphite surface, boron behaves as π electron acceptor. The π electron approaches boron atom because of more electropositive of boron than carbon. For substitution situation, the hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. The B-doped graphite system with the hole has less

  12. Energy buildup in sheared force-free magnetic fields

    Science.gov (United States)

    Wolfson, Richard; Low, Boon C.

    1992-01-01

    Photospheric displacement of the footpoints of solar magnetic field lines results in shearing and twisting of the field, and consequently in the buildup of electric currents and magnetic free energy in the corona. The sudden release of this free energy may be the origin of eruptive events like coronal mass ejections, prominence eruptions, and flares. An important question is whether such an energy release may be accompanied by the opening of magnetic field lines that were previously closed, for such open field lines can provide a route for matter frozen into the field to escape the sun altogether. This paper presents the results of numerical calculations showing that opening of the magnetic field is permitted energetically, in that it is possible to build up more free energy in a sheared, closed, force-free magnetic field than is in a related magnetic configuration having both closed and open field lines. Whether or not the closed force-free field attains enough energy to become partially open depends on the form of the shear profile; the results presented compare the energy buildup for different shear profiles. Implications for solar activity are discussed briefly.

  13. EEL Calculations and Measurements of Graphite and Graphitic-CNx Core-Losses

    International Nuclear Information System (INIS)

    Seepujak, A; Bangert, U; Harvey, A J; Blank, V D; Kulnitskiy, B A; Batov, D V

    2006-01-01

    Core EEL spectra of MWCNTs (multi-wall carbon nanotubes) grown in a nitrogen atmosphere were acquired utilising a dedicated STEM equipped with a Gatan Enfina system. Splitting of the carbon K-edge π* resonance into two peaks provided evidence of two nondegenerate carbon bonding states. In order to confirm the presence of a CN x bonding state, a full-potential linearised augmented plane-wave method was utilised to simulate core EEL spectra of graphite and graphitic-CN x compounds. The simulations confirmed splitting of the carbon K-edge π* resonance in graphitic-CN x materials, with the pristine graphite π* resonance remaining unsplit. The simulations also confirmed the increasing degree of amorphicity with higher concentrations (25%) of substitutional nitrogen in graphite

  14. Development of Nanoscale Graphitic Devices and The Transport Characterization

    International Nuclear Information System (INIS)

    Gunasekaran, Venugopal

    2011-02-01

    This dissertation describes the development of graphitic based nanoscale devices with its fabrication and transport characterization results. It covers graphite nano-scale stacked-junctions fabricated using focused ion beam (FIB) 3-D etching technique, a single layer graphite layer (graphene) preparation and its electrical transport characterization results and the synthesis and investigation of electrical transport behavior of graphene oxide based thin film devices. The first chapter describes the basic information about the carbon family in detail in which the electronic properties and structure of graphite, graphene and graphene oxide are discussed. In addition, the necessity of developing nanoscale graphitic devices is given. The second chapter explains the experimental techniques used in this research for fabricating nanoscale devices which includes focused ion beam 3-D fabrication procedures, mechanical exfoliation technique and photolithographic methods. In third chapter, we have reported the results on temperature dependence of graphite planar-type structures fabricated along ab-plane. In the fourth and fifth chapters, the fabrication and electrical transport characteristics of large in-plane area graphite planar-type structures (fabricated along ab-plane and c-axis) were discussed and their transport anisotropy properties were investigated briefly. In the sixth chapter, we focused the fabrication of the submicron sized graphite stacked junctions and their electrical transport characterization studies. In which, FIB was used to fabricated the submicron junctions with various in-plane area (with same stack height) are and their transport characteristics were compared. The seventh chapter reports investigation of electrical transport results of nanoscale graphite stacked-junctions in which the temperature dependent transport (R-T) studies, current-voltage measurements for the various in-plane areas and for various stack height samples were analyzed. The

  15. Nuclear graphite ageing and turnaround

    International Nuclear Information System (INIS)

    Marsden, B.J.; Hall, G.N.; Smart, J.

    2001-01-01

    Graphite moderated reactors are being operated in many countries including, the UK, Russia, Lithuania, Ukraine and Japan. Many of these reactors will operate well into the next century. New designs of High Temperature Graphite Moderated Reactors (HTRS) are being built in China and Japan. The design life of these graphite-moderated reactors is governed by the ageing of the graphite core due to fast neutron damage, and also, in the case of carbon dioxide cooled reactors by the rate of oxidation of the graphite. Nuclear graphites are polycrystalline in nature and it is the irradiation-induced damage to the individual graphite crystals that determines the material property changes with age. The life of a graphite component in a nuclear reactor can be related to the graphite irradiation induced dimensional changes. Graphites typically shrink with age, until a point is reached where the shrinkage stops and the graphite starts to swell. This change from shrinkage to swelling is known as ''turnaround''. It is well known that pre-oxidising graphite specimens caused ''turnaround'' to be delayed, thus extending the life of the graphite, and hence the life of the reactor. However, there was no satisfactory explanation of this behaviour. This paper presents a numerical crystal based model of dimensional change in graphite, which explains the delay in ''turnaround'' in the pre-oxidised specimens irradiated in a fast neutron flux, in terms of crystal accommodation and orientation and change in compliance due to radiolytic oxidation. (author)

  16. Optical Near-field Interactions and Forces for Optoelectronic Devices

    Science.gov (United States)

    Kohoutek, John Michael

    Throughout history, as a particle view of the universe began to take shape, scientists began to realize that these particles were attracted to each other and hence came up with theories, both analytical and empirical in nature, to explain their interaction. The interaction pair potential (empirical) and electromagnetics (analytical) theories, both help to explain not only the interaction between the basic constituents of matter, such as atoms and molecules, but also between macroscopic objects, such as two surfaces in close proximity. The electrostatic force, optical force, and Casimir force can be categorized as such forces. A surface plasmon (SP) is a collective motion of electrons generated by light at the interface between two mediums of opposite signs of dielectric susceptibility (e.g. metal and dielectric). Recently, surface plasmon resonance (SPR) has been exploited in many areas through the use of tiny antennas that work on similar principles as radio frequency (RF) antennas in optoelectronic devices. These antennas can produce a very high gradient in the electric field thereby leading to an optical force, similar in concept to the surface forces discussed above. The Atomic Force Microscope (AFM) was introduced in the 1980s at IBM. Here we report on its uses in measuring these aforementioned forces and fields, as well as actively modulating and manipulating multiple optoelectronic devices. We have shown that it is possible to change the far field radiation pattern of an optical antenna-integrated device through modification of the near-field of the device. This modification is possible through change of the local refractive index or reflectivity of the "hot spot" of the device, either mechanically or optically. Finally, we have shown how a mechanically active device can be used to detect light with high gain and low noise at room temperature. It is the aim of several of these integrated and future devices to be used for applications in molecular sensing

  17. Machine learning of accurate energy-conserving molecular force fields

    Science.gov (United States)

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert

    2017-01-01

    Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076

  18. Various aspects of magnetic field influence on forced convection

    Directory of Open Access Journals (Sweden)

    Pleskacz Lukasz

    2016-01-01

    Full Text Available Flows in the channels of various geometry can be found everywhere in industrial or daily life applications. They are used to deliver media to certain locations or they are the place where heat may be exchanged. For Authors both points of view are interesting. The enhancement methods for heat transfer during the forced convection are demanded due to a technological development and tendency to miniaturization. At the same time it is also worth to find mechanisms that would help to avoid negative effects like pressure losses or sedimentation in the channel flows. This paper shows and discuss various aspects of magnetic field influence on forced convection. A mathematical model consisted of the mass, momentum and energy conservation equations. In the momentum conservation equation magnetic force term was included. In order to calculate this magnetic force Biot-Savart’s law was utilized. Numerical analysis was performed with the usage of commonly applied software. However, userdefined functions were implemented. The results revealed that both temperature and velocity fields were influenced by the strong magnetic field.

  19. THE EFFECT OF APPLIED STRESS ON THE GRAPHITIZATION OF PYROLYTIC GRAPHITE

    Energy Technology Data Exchange (ETDEWEB)

    Bragg, R H; Crooks, D D; Fenn, Jr, R W; Hammond, M L

    1963-06-15

    Metallographic and x-ray diffraction studies were made of the effect of applied stress at high temperature on the structure of pyrolytic graphite (PG). The dominant factor was whether the PG was above or below its graphitization temperature, which, in turn, was not strongly dependent on applied stress. Below the graphitization temperature, the PG showed a high proportion of disordered layers (0.9), a fairly large mean tilt angle (20 deg ) and a small crystailite size (La --150 A). Fracture occurred at low stress and strain and the materiai exhibited a high apparent Young's modulus ( approximates 4 x 10/sup 6/ psi). Above the graphitization temperature, graphitization was considerably enhanced by strain up to about 8%. The disorder parameter was decreased from a zero strain value of 0.3 to 0.l5 with strain, the mean tilt angle was decreased to 4 deg , and a fivefold increase in crystallite size occurred. When the strainenhanced graphitization was complete, the material exhibited a low apparent modulus ( approximates 0.5 x 10/sup 6/ psi) and large plastic strains (>100%) for a constant stress ( approximates 55 ksi). Graphitization was shown to be a spontaneous process that is promoted by breaking cross-links thermally, and the process is furthered by chemical attack and plastic strain. (auth)

  20. Artificial graphites

    International Nuclear Information System (INIS)

    Maire, J.

    1984-01-01

    Artificial graphites are obtained by agglomeration of carbon powders with an organic binder, then by carbonisation at 1000 0 C and graphitization at 2800 0 C. After description of the processes and products, we show how the properties of the various materials lead to the various uses. Using graphite enables us to solve some problems, but it is not sufficient to satisfy all the need of the application. New carbonaceous material open application range. Finally, if some products are becoming obsolete, other ones are being developed in new applications [fr

  1. Calculation of the Thermal State of the Graphite Moderator of the RBMK Reactor

    Directory of Open Access Journals (Sweden)

    Vorobiev Alexander V.

    2017-01-01

    Full Text Available This work is devoted to study the temperature field of the graphite stack of the RBMK reactor. In work was analyzed the influence of contact pressure between the components of the masonry on the temperature of the graphite moderator.

  2. Bridged graphite oxide materials

    Science.gov (United States)

    Herrera-Alonso, Margarita (Inventor); McAllister, Michael J. (Inventor); Aksay, Ilhan A. (Inventor); Prud'homme, Robert K. (Inventor)

    2010-01-01

    Bridged graphite oxide material comprising graphite sheets bridged by at least one diamine bridging group. The bridged graphite oxide material may be incorporated in polymer composites or used in adsorption media.

  3. Valence force fields and the lattice dynamics of beryllium oxide

    International Nuclear Information System (INIS)

    Ramani, R.; Mani, K.K.; Singh, R.P.

    1976-01-01

    The lattice dynamics of beryllium oxide have been studied using a rigid-ion model, with short-range forces represented by a valence force field. Various existing calculations on group-IV elements using such a field have been examined as a prelude to transference of force constants from diamond to beryllium oxide. The effects of ionicity on the force constants have been included in the form of scale factors. It is shown that no satisfactory fit to the long-wavelength data on BeO can be found with transferred force constants. However, adequate least-squares fits can be found both with four- and six-parameter valence force fields, the discrepancy with experiment being large only for one optical mode at the Brillouin-zone center. Dispersion curves along Δ and Σ are presented and are in fair agreement with experiment, deviations arising essentially from the quality of the fit to the long-wavelength data. The bond-bending interactions are found to play a significant role and arguments have been presented to show that the inclusion of further angle-angle interactions would yield a very satisfactory picture of the dynamics

  4. Nonequilibrium forces between neutral atoms mediated by a quantum field

    International Nuclear Information System (INIS)

    Behunin, Ryan O.; Hu, Bei-Lok

    2010-01-01

    We study forces between two neutral atoms, modeled as three-dimensional harmonic oscillators, arising from mutual influences mediated by an electromagnetic field but not from their direct interactions. We allow as dynamical variables the center-of-mass motion of the atom, its internal degrees of freedom, and the quantum field treated relativistically. We adopt the method of nonequilibrium quantum field theory which can provide a first-principles, systematic, and unified description including the intrinsic and induced dipole fluctuations. The inclusion of self-consistent back-actions makes possible a fully dynamical description of these forces valid for general atom motion. In thermal equilibrium we recover the known forces--London, van der Waals, and Casimir-Polder--between neutral atoms in the long-time limit. We also reproduce a recently reported force between atoms when the system is out of thermal equilibrium at late times. More noteworthy is the discovery of the existence of a type of (or identification of the source of some known) interatomic force which we call the ''entanglement force,'' originating from the quantum correlations of the internal degrees of freedom of entangled atoms.

  5. Raman spectroscopy of carbon nano-particles synthesized by laser ablation of graphite in water

    Energy Technology Data Exchange (ETDEWEB)

    Cardenas, J. F.; Cadenbach, T.; Costa V, C.; Paz, J. L. [Escuela Politecnica Nacional, Departamento de Fisica, Apdo. 17-12-866, Ladron de Guevara E11-253, EC 170109, Quito (Ecuador); Zhang, Z. B.; Zhang, S. L. [Institutionen for teknikvetenskaper, Fasta tillstandets elektronik, Angstromlaboratoriet, Lagerhyddsvagen, 1 Box 534, 751-21 Uppsala (Sweden); Debut, A.; Vaca, A. V., E-mail: cardenas9291@gmail.com [Centro de Nanociencia y Nanotecnologia, Universidad de las Fuerzas Armadas ESPE, Sangolqui (Ecuador)

    2017-11-01

    Carbon nanoparticles (CNPs) have been synthesized by laser ablation of polycrystalline graphite in water using a pulsed Nd:YAG laser (1064 nm) with a width of 8 ns. Structural and mesoscopic characterization of the CNPs in the supernatant by Raman spectroscopy provide evidence for the presence of mainly two ranges of particle sizes: 1-5 nm and 10-50 nm corresponding to amorphous carbon and graphite Nps, respectively. These results are corroborated by complementary characterization using atomic force microscopy (AFM) and transmission electron microscopy (Tem). In addition, large (10-100 μm) graphite particles removed from the surface are essentially unmodified (in structure and topology) by the laser as confirmed by Raman analysis. (Author)

  6. Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides.

    Science.gov (United States)

    Best, Robert B; Hummer, Gerhard

    2009-07-02

    Obtaining the correct balance of secondary structure propensities is a central priority in protein force-field development. Given that current force fields differ significantly in their alpha-helical propensities, a correction to match experimental results would be highly desirable. We have determined simple backbone energy corrections for two force fields to reproduce the fraction of helix measured in short peptides at 300 K. As validation, we show that the optimized force fields produce results in excellent agreement with nuclear magnetic resonance experiments for folded proteins and short peptides not used in the optimization. However, despite the agreement at ambient conditions, the dependence of the helix content on temperature is too weak, a problem shared with other force fields. A fit of the Lifson-Roig helix-coil theory shows that both the enthalpy and entropy of helix formation are too small: the helix extension parameter w agrees well with experiment, but its entropic and enthalpic components are both only about half the respective experimental estimates. Our structural and thermodynamic analyses point toward the physical origins of these shortcomings in current force fields, and suggest ways to address them in future force-field development.

  7. Physical Limitations of Empirical Field Models: Force Balance and Plasma Pressure

    International Nuclear Information System (INIS)

    Sorin Zaharia; Cheng, C.Z.

    2002-01-01

    In this paper, we study whether the magnetic field of the T96 empirical model can be in force balance with an isotropic plasma pressure distribution. Using the field of T96, we obtain values for the pressure P by solving a Poisson-type equation (gradient) 2 P = (gradient) · (J x B) in the equatorial plane, and 1-D profiles on the Sun-Earth axis by integrating (gradient)P = J x B. We work in a flux coordinate system in which the magnetic field is expressed in terms of Euler potentials. Our results lead to the conclusion that the T96 model field cannot be in equilibrium with an isotropic pressure. We also analyze in detail the computation of Birkeland currents using the Vasyliunas relation and the T96 field, which yields unphysical results, again indicating the lack of force balance in the empirical model. The underlying reason for the force imbalance is likely the fact that the derivatives of the least-square fitted model B are not accurate predictions of the actual magnetospheric field derivatives. Finally, we discuss a possible solution to the problem of lack of force balance in empirical field models

  8. Transmission electron-microscopic studies of structural changes in polycrystalline graphite after high temperature irradiation

    International Nuclear Information System (INIS)

    Platonov, P.A.; Gurovich, B.A.; Shtrombakh, Ya.I.; Karpukhin, V.I.

    1985-01-01

    Transmission electron-microscopic investigation of polycrystalline graphite before and after irradiation is carried out. The direct use of graphite samples after ion thinning, as an inquiry subject is the basic peculiarity of the work. Main structural components of MPG-6 graphite before and after irradiation are revealed, the structural mechanism of the reactor graphite destruction under irradiation is demonstrated. The mean values of L αm and L cm crystallite dimensions are determined. Radiation defects, occuring in some crystallites after irradiation are revealed by the dark-field electron microscopy method

  9. Organic tissues, graphite, and hydrocarbons in host rocks of the Rum Jungle Uranium Field, northern Australia

    Science.gov (United States)

    Foster, C.B.; Robbins, E.I.; Bone, Y.

    1990-01-01

    The Rum Jungle Uranium field consists of at least six early Proterozoic deposits that have been mined either for uranium and/or the associated base and precious metals. Organic matter in the host rocks of the Whites Formation and Coomalie Dolomite is now predominantly graphite, consistent with the metamorphic history of these rocks. For nine samples, the mean total organic carbon content is high (3.9 wt%) and ranged from 0.33 to 10.44 wt%. Palynological extracts from the host rocks include black, filamentous, stellate (Eoastrion-like), and spherical morphotypes, which are typical of early Proterozoic microbiota. The colour, abundance, and shapes of these morphotypes reflect the thermal history, organic richness, and probable lacustrine biofacies of the host rocks. Routine analysis of rock thin sections and of palynological residues shows that mineral grains in some of the host rocks are coated with graphitized organic matter. The grain coating is presumed to result from ultimate thermal degradation of a petroleum phase that existed prior to metamorphism. Hydrocarbons are, however, still present in fluid inclusions within carbonates of the Coomalie Dolomite and lower Whites Formation. The fluid inclusions fluoresce dull orange in blue-light excitation and their hydrocarbon content is confirmed by gas chromatography of whole-rock extracts. Preliminary analysis of the oil suggests that it is migrated, and because it has escaped graphitization through metamorphism it is probably not of early Proterozoic age. The presence of live oil is consistent with fluid inclusion data that suggest subsequent, low-temperature brine migration through the rocks. The present observations support earlier suggestions that organic matter in the host formations trapped uranium to form protore. Subsequent fluid migrations probably brought additional uranium and other metals to these formations, and the organic matter provided a reducing environment for entrapment. ?? 1990.

  10. Influence of Metal-Coated Graphite Powders on Microstructure and Properties of the Bronze-Matrix/Graphite Composites

    Science.gov (United States)

    Zhao, Jian-hua; Li, Pu; Tang, Qi; Zhang, Yan-qing; He, Jian-sheng; He, Ke

    2017-02-01

    In this study, the bronze-matrix/x-graphite (x = 0, 1, 3 and 5%) composites were fabricated by powder metallurgy route by using Cu-coated graphite, Ni-coated graphite and pure graphite, respectively. The microstructure, mechanical properties and corrosive behaviors of bronze/Cu-coated-graphite (BCG), bronze/Ni-coated-graphite (BNG) and bronze/pure-graphite (BPG) were characterized and investigated. Results show that the Cu-coated and Ni-coated graphite could definitely increase the bonding quality between the bronze matrix and graphite. In general, with the increase in graphite content in bronze-matrix/graphite composites, the friction coefficients, ultimate density and wear rates of BPG, BCG and BNG composites all went down. However, the Vickers microhardness of the BNG composite would increase as the graphite content increased, which was contrary to the BPG and BCG composites. When the graphite content was 3%, the friction coefficient of BNG composite was more stable than that of BCG and BPG composites, indicating that BNG composite had a better tribological performance than the others. Under all the values of applied loads (10, 20, 40 and 60N), the BCG and BNG composites exhibited a lower wear rate than BPG composite. What is more, the existence of nickel in graphite powders could effectively improve the corrosion resistance of the BNG composite.

  11. Graphite selection for the PBMR reflector

    International Nuclear Information System (INIS)

    Marsden, B.J.; Preston, S.D.

    2000-01-01

    A high temperature, direct cycle gas turbine, graphite moderated, helium cooled, pebble-bed reactor (PBMR) is being designed and constructed in South Africa. One of the major components in the PBMR is the graphite reflector, which must be designed to last thirty-five full power years. Fast neutron irradiation changes the dimensions and material properties of reactor graphite, thus for design purposes a suitable graphite database is required. Data on the effect of irradiation on nuclear graphites has been gathered for many years, at considerable financial cost, but unfortunately these graphites are no longer available due to rationalization of the graphite industry and loss of key graphite coke supplies. However, it is possible, using un-irradiated graphite materials properties and knowledge of the particular graphite microstructure, to determine the probable irradiation behaviour. Three types of nuclear graphites are currently being considered for the PBMR reflector: an isostatically moulded, fine grained, high strength graphite and two extruded medium grained graphites of moderately high strength. Although there is some irradiation data available for these graphites, the data does not cover the temperature and dose range required for the PBMR. The available graphites have been examined to determine their microstructure and some of the key material properties are presented. (authors)

  12. Applications of Molecular Dynamics, Monte Carlo and Metadynamics Simulations Using ReaxFF Reactive Force Fields to Fluid/Solid Interfaces

    Science.gov (United States)

    Raju, Muralikrishna

    The interaction of dense fluids (water, polar organic solvents, room temperature ionic liquids, etc.) with solid substrates controls many chemical processes encountered in nature and industry. The key features of fluid-solid interfaces (FSIs) are the high mobility and often reactivity of the fluid phase, and the structural control provided by the solid phase. In this dissertation we apply molecular modeling methods to study FSIs in the following systems: 1. Dissociation of water on titania surfaces. We studied the adsorption and dissociation of water at 300 K on the following TiO2 surfaces: anatase (101), (100), (112), (001) and rutile (110) at various water coverages, using a recently developed ReaxFF reactive force field. The molecular and dissociative adsorption configurations predicted by ReaxFF for various water coverages agree with previous theoretical studies and experiment. 2. Mechanisms of Oriented Attachment in TiO2 nanocrystals. Oriented attachment (OA) of nanocrystals is now widely recognized as a key process in the solution-phase growth of hierarchical nanostructures. However, the microscopic origins of OA remain unclear. Using the same ReaxFF Ti/O/H reactive force field employed in the previous study, we perform molecular dynamics simulations to study the aggregation of various titanium dioxide (anatase) nanocrystals in vacuum and humid environments. 3. Li interactions in carbon based materials. Graphitic carbon is still the most ubiquitously used anode material in Li-ion batteries. In spite of its ubiquity, there are few theoretical studies that fully capture the energetics and kinetics of Li in graphite and related nanostructures at experimentally relevant length/time-scales and Li-ion concentrations. In this study we describe development and application of a ReaxFF reactive force field to describe Li interactions in perfect and defective carbon based materials using atomistic simulations. We develop force-field parameters for Li-C systems using van

  13. Method of producing exfoliated graphite, flexible graphite, and nano-scaled graphene platelets

    Science.gov (United States)

    Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z.

    2010-11-02

    The present invention provides a method of exfoliating a layered material (e.g., graphite and graphite oxide) to produce nano-scaled platelets having a thickness smaller than 100 nm, typically smaller than 10 nm. The method comprises (a) dispersing particles of graphite, graphite oxide, or a non-graphite laminar compound in a liquid medium containing therein a surfactant or dispersing agent to obtain a stable suspension or slurry; and (b) exposing the suspension or slurry to ultrasonic waves at an energy level for a sufficient length of time to produce separated nano-scaled platelets. The nano-scaled platelets are candidate reinforcement fillers for polymer nanocomposites. Nano-scaled graphene platelets are much lower-cost alternatives to carbon nano-tubes or carbon nano-fibers.

  14. Rapid parameterization of small molecules using the Force Field Toolkit.

    Science.gov (United States)

    Mayne, Christopher G; Saam, Jan; Schulten, Klaus; Tajkhorshid, Emad; Gumbart, James C

    2013-12-15

    The inability to rapidly generate accurate and robust parameters for novel chemical matter continues to severely limit the application of molecular dynamics simulations to many biological systems of interest, especially in fields such as drug discovery. Although the release of generalized versions of common classical force fields, for example, General Amber Force Field and CHARMM General Force Field, have posited guidelines for parameterization of small molecules, many technical challenges remain that have hampered their wide-scale extension. The Force Field Toolkit (ffTK), described herein, minimizes common barriers to ligand parameterization through algorithm and method development, automation of tedious and error-prone tasks, and graphical user interface design. Distributed as a VMD plugin, ffTK facilitates the traversal of a clear and organized workflow resulting in a complete set of CHARMM-compatible parameters. A variety of tools are provided to generate quantum mechanical target data, setup multidimensional optimization routines, and analyze parameter performance. Parameters developed for a small test set of molecules using ffTK were comparable to existing CGenFF parameters in their ability to reproduce experimentally measured values for pure-solvent properties (<15% error from experiment) and free energy of solvation (±0.5 kcal/mol from experiment). Copyright © 2013 Wiley Periodicals, Inc.

  15. Effect of graphite target power density on tribological properties of graphite-like carbon films

    Science.gov (United States)

    Dong, Dan; Jiang, Bailing; Li, Hongtao; Du, Yuzhou; Yang, Chao

    2018-05-01

    In order to improve the tribological performance, a series of graphite-like carbon (GLC) films with different graphite target power densities were prepared by magnetron sputtering. The valence bond and microstructure of films were characterized by AFM, TEM, XPS and Raman spectra. The variation of mechanical and tribological properties with graphite target power density was analyzed. The results showed that with the increase of graphite target power density, the deposition rate and the ratio of sp2 bond increased obviously. The hardness firstly increased and then decreased with the increase of graphite target power density, whilst the friction coefficient and the specific wear rate increased slightly after a decrease with the increasing graphite target power density. The friction coefficient and the specific wear rate were the lowest when the graphite target power density was 23.3 W/cm2.

  16. Modifications of Graphite and Multiwall Carbon Nanotubes in the Presence of Urea

    Science.gov (United States)

    Duraia, El-Shazly M.; Fahami, Abbas; Beall, Gary W.

    2018-02-01

    The effect of high-energy ball milling on two carbon allotropes, graphite and multiwall carbon nanotubes (MWCNT) in the presence of urea has been studied. Samples were investigated using Raman spectroscopy, x-ray diffraction, scanning electron microscope (SEM) and x-ray photoelectron spectroscopy (XPS). Nitrogen-doped graphene has been successfully synthesized via a simple scalable mechanochemistry method using urea and graphite powder precursors. XPS results revealed the existence of the different nitrogen atoms configurations including pyridine, pyrrodic and graphitic N. SEM observations showed that the graphene nanosheets morphology become more wrinkles folded and crumbled as the milling time increased. The ID/IG ratio also increased as the milling time rose. The presence of both D' and G + D bands at 1621 cm-1 and 2940 cm-1, respectively, demonstrated the nitrogen incorporation in the graphene lattice Two factors contribute to the used urea: first it helps to exfoliate graphite into graphene, and second it preserves the graphitic structure from damage during the milling process as well as acting as a solid-state nitrogen source. Based on the phase analysis, the d-spacing of MWCNT samples in the presence of urea decreased due to the mechanical force in the milling process as the milling time increased. On the other hand, in the graphite case, due to its open flat surface, the graphite (002) peak shifts toward lower two theta as the milling time increase. Such findings are important and could be used for large-scale production of N-doped graphene, diminishing the use of either dangerous chemicals or sophisticated equipment.

  17. Observation of Compressive Deformation Behavior of Nuclear Graphite by Digital Image Correlation

    International Nuclear Information System (INIS)

    Kim, Hyunju; Kim, Eungseon; Kim, Minhwan; Kim, Yongwan

    2014-01-01

    Polycrystalline nuclear graphite has been proposed as a fuel element, moderator and reflector blocks, and core support structures in a very high temperature gas-cooled reactor. During reactor operation, graphite core components and core support structures are subjected to various stresses. It is therefore important to understand the mechanism of deformation and fracture of nuclear graphites, and their significance to structural integrity assessment methods. Digital image correlation (DIC) is a powerful tool to measure the full field displacement distribution on the surface of the specimens. In this study, to gain an understanding of compressive deformation characteristic, the formation of strain field during a compression test was examined using a commercial DIC system. An examination was made to characterize the compressive deformation behavior of nuclear graphite by a digital image correlation. The non-linear load-displacement characteristic prior to the peak load was shown to be mainly dominated by the presence of localized strains, which resulted in a permanent displacement. Young's modulus was properly calculated from the measured strain

  18. Production of graphene by exfoliation of graphite in a volatile organic solvent

    International Nuclear Information System (INIS)

    Choi, Eun-Young; Choi, Won San; Lee, Young Boo; Noh, Yong-Young

    2011-01-01

    The production of unfunctionalized and nonoxidized graphene by exfoliation of graphite in a volatile solvent, 1-propanol, is reported. A stable homogeneous dispersion of graphene was obtained by mild sonication of graphite powder and subsequent centrifugation. The presence of a graphene monolayer was observed by atomic force microscopy and transmission electron microscopy. The solvent, 1-propanol, from the deposited dispersion was simply and quickly removed by air drying at room temperature, without the help of high temperature annealing or vacuum drying, which shortens production time and does not leave any residue of the solvent in the graphene sheets.

  19. Effect of magnetic and electric coupling fields on micro- and nano- structure of carbon films in the CVD diamond process and their electron field emission property

    Science.gov (United States)

    Wang, Yijia; Li, Jiaxin; Hu, Naixiu; Jiang, Yunlu; Wei, Qiuping; Yu, Zhiming; Long, Hangyu; Zhu, Hekang; Xie, Youneng; Ma, Li; Lin, Cheng-Te; Su, Weitao

    2018-03-01

    In this paper, both electric field and magnetic field were used to assist the hot filament chemical vapor deposition (HFCVD) and we systematically investigated the effects of which on the (1) phase composition, (2) grain size, (3) thickness and (4) preferred orientation of diamond films through SEM, Raman and XRD. The application of magnetic field in electric field, so called ‘the magnetic and electric coupling fields’, enhanced the graphitization and refinement of diamond crystals, slowed down the decrease of film thickness along with the increase of bias current, and suppressed diamond (100) orientation. During the deposition process, the electric field provided additional energy to HFCVD system and generated large number of energetic particles which might annihilate at the substrate and lose kinetic energy, while the Lorentz force, provided by magnetic field, could constrict charged particles (including electrons) to do spiral movement, which prolonged their moving path and life, thus the system energy increased. With the graphitization of diamond films intensified, the preferred orientation of diamond films completely evolved from (110) to (100), until the orientation and diamond phase disappeared, which can be attributed to (I) the distribution and concentration ratio of carbon precursors (C2H2 and CH3) and (II) graphitization sequence of diamond crystal facets. Since the electron field emission property of carbon film is sensitive to the phase composition, thickness and preferred orientation, nano- carbon cones, prepared by the negative bias current of 20 mA and magnetic field strength of 80 Gauss, exhibited the lowest turn-on field of 6.1 V -1 μm-1.

  20. Graphite for high-temperature reactors

    International Nuclear Information System (INIS)

    Hammer, W.; Leushacke, D.F.; Nickel, H.; Theymann, W.

    1976-01-01

    The different graphites necessary for HTRs are being developed, produced and tested within the Federal German ''Development Programme Nuclear Graphite''. Up to now, batches of the following graphite grades have been manufactured and fully characterized by the SIGRI Company to demonstrate reproducibility: pitch coke graphite AS2-500 for the hexagonal fuel elements and exchangeable reflector blocks; special pitch coke graphite ASI2-500 for reflector blocks of the pebble-bed reactor and as back-up material for the hexagonal fuel elements; graphite for core support columns. The material data obtained fulfill most of the requirements under present specifications. Production of large-size blocks for the permanent side reflector and the core support blocks is under way. The test programme covers all areas important for characterizing and judging HTR-graphites. In-pile testing comprises evaluation of the material for irradiation-induced changes of dimensions, mechanical and thermal properties - including behaviour under temperature cycling and creep behaviour - as well as irradiating fuel element segments and blocks. Testing out-of-pile includes: evaluation of corrosion rates and influence of corrosion on strength; strength measurements; including failure criteria. The test programme has been carried out extensively on the AS2-graphite, and the results obtained show that this graphite is suitable as HTGR fuel element graphite. (author)

  1. Electrochemical lithium insertion in graphite containing dispersed tin-antimony alloys

    Energy Technology Data Exchange (ETDEWEB)

    Billaud, Denis; Nabais, Catarina; Mercier, Cedric [LCSM, Laboratoire de Chimie du Solide Mineral, Nancy University, BP 239, 54506 Vandoeuvre les Nancy Cedex (France); Schneider, Raphael [LCPME, Laboratoire de Chimie Physique et Microbiologie pour l' Environnement, Nancy University, Faculte de Pharmacie, BP 80 403, 54001 Nancy Cedex (France); Willmann, Patrick [CNES, Centre National d' Etudes Spatiales, 18, Avenue E. Belin, 31055 Toulouse Cedex (France)

    2008-09-15

    Graphite/SnSb composites were prepared by solution-phase reduction of SnCl{sub 2} and SbCl{sub 5} in the presence of graphite powder using either t-BuONa-activated NaH or t-BuOLi-activated LiH. Crude and washed materials were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and field emission gun-scanning electron microscopy (FEG-SEM). Electrochemical lithium insertion was carried out in both types of composites using voltammetry or galvanostatic charge/discharge techniques. It appeared that graphite-SnSb composites prepared using t-BuOLi-activated LiH as reductant displayed the highest reversible capacity (ca. 500 mA h g{sup -1}). This phenomenon is likely in relation with a better dispersion and grafting of metal particles on graphite, as suggested by FEG-SEM and TEM analyses. However, such dispersion appeared to increase significantly the irreversible capacity. (author)

  2. Synthesis, characterization and magnetic properties of room-temperature nanofluid ferromagnetic graphite

    OpenAIRE

    Souza, N. S.; Sergeenkov, S.; Speglich, C.; Rivera, V. A. G.; Cardoso, C. A.; Pardo, H.; Mombru, A. W.; Rodrigues, A. D.; de Lima, O. F.; Araujo-Moreira, F. M.

    2009-01-01

    We report the chemical synthesis route, structural characterization, and physical properties of nanofluid magnetic graphite (NFMG) obtained from the previously synthesized bulk organic magnetic graphite (MG) by stabilizing the aqueous ferrofluid suspension with an addition of active cationic surfactant. The measured magnetization-field hysteresis curves along with the temperature dependence of magnetization confirmed room-temperature ferromagnetism in both MG and NFMG samples. (C) 2009 Americ...

  3. Defect induced electronic states and magnetism in ball-milled graphite.

    Science.gov (United States)

    Milev, Adriyan; Dissanayake, D M A S; Kannangara, G S K; Kumarasinghe, A R

    2013-10-14

    The electronic structure and magnetism of nanocrystalline graphite prepared by ball milling of graphite in an inert atmosphere have been investigated using valence band spectroscopy (VB), core level near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and magnetic measurements as a function of the milling time. The NEXAFS spectroscopy of graphite milled for 30 hours shows simultaneous evolution of new states at ~284.0 eV and at ~290.5 eV superimposed upon the characteristic transitions at 285.4 eV and 291.6 eV, respectively. The modulation of the density of states is explained by evolution of discontinuities within the sheets and along the fracture lines in the milled graphite. The magnetic measurements in the temperature interval 2-300-2 K at constant magnetic field strength show a correlation between magnetic properties and evolution of the new electronic states. With the reduction of the crystallite sizes of the graphite fragments, the milled material progressively changes its magnetic properties from diamagnetic to paramagnetic with contributions from both Pauli and Curie paramagnetism due to the evolution of new states at ~284 and ~290.5 eV, respectively. These results indicate that the magnetic behaviour of ball-milled graphite can be manipulated by changing the milling conditions.

  4. A graphite nanoeraser

    DEFF Research Database (Denmark)

    Liu, Ze; Bøggild, Peter; Yang, Jia-rui

    2011-01-01

    We present here a method for cleaning intermediate-size (up to 50 nm) contamination from highly oriented pyrolytic graphite and graphene. Electron-beam-induced deposition of carbonaceous material on graphene and graphite surfaces inside a scanning electron microscope, which is difficult to remove...... by conventional techniques, can be removed by direct mechanical wiping using a graphite nanoeraser, thus drastically reducing the amount of contamination. We discuss potential applications of this cleaning procedure....

  5. Magnetoelectric force microscopy based on magnetic force microscopy with modulated electric field.

    Science.gov (United States)

    Geng, Yanan; Wu, Weida

    2014-05-01

    We present the realization of a mesoscopic imaging technique, namely, the Magnetoelectric Force Microscopy (MeFM), for visualization of local magnetoelectric effect. The basic principle of MeFM is the lock-in detection of local magnetoelectric response, i.e., the electric field-induced magnetization, using magnetic force microscopy. We demonstrate MeFM capability by visualizing magnetoelectric domains on single crystals of multiferroic hexagonal manganites. Results of several control experiments exclude artifacts or extrinsic origins of the MeFM signal. The parameters are tuned to optimize the signal to noise ratio.

  6. Mapping the force field of a hydrogen-bonded assembly

    Science.gov (United States)

    Sweetman, A. M.; Jarvis, S. P.; Sang, Hongqian; Lekkas, I.; Rahe, P.; Wang, Yu; Wang, Jianbo; Champness, N. R.; Kantorovich, L.; Moriarty, P.

    2014-05-01

    Hydrogen bonding underpins the properties of a vast array of systems spanning a wide variety of scientific fields. From the elegance of base pair interactions in DNA to the symmetry of extended supramolecular assemblies, hydrogen bonds play an essential role in directing intermolecular forces. Yet fundamental aspects of the hydrogen bond continue to be vigorously debated. Here we use dynamic force microscopy (DFM) to quantitatively map the tip-sample force field for naphthalene tetracarboxylic diimide molecules hydrogen-bonded in two-dimensional assemblies. A comparison of experimental images and force spectra with their simulated counterparts shows that intermolecular contrast arises from repulsive tip-sample interactions whose interpretation can be aided via an examination of charge density depletion across the molecular system. Interpreting DFM images of hydrogen-bonded systems therefore necessitates detailed consideration of the coupled tip-molecule system: analyses based on intermolecular charge density in the absence of the tip fail to capture the essential physical chemistry underpinning the imaging mechanism.

  7. A test on reactive force fields for the study of silica dimerization reactions

    Energy Technology Data Exchange (ETDEWEB)

    Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat T.; Åstrand, Per-Olof; Erp, Titus S. van, E-mail: titus.van.erp@ntnu.no [Department of Chemistry, Norwegian University of Science and Technology (NTNU), Høgskoleringen 5, Realfagbygget D3-117, 7491 Trondheim (Norway)

    2015-11-14

    We studied silica dimerization reactions in the gas and aqueous phase by density functional theory (DFT) and reactive force fields based on two parameterizations of ReaxFF. For each method (both ReaxFF force fields and DFT), we performed constrained geometry optimizations, which were subsequently evaluated in single point energy calculations using the other two methods. Standard fitting procedures typically compare the force field energies and geometries with those from quantum mechanical data after a geometry optimization. The initial configurations for the force field optimization are usually the minimum energy structures of the ab initio database. Hence, the ab initio method dictates which structures are being examined and force field parameters are being adjusted in order to minimize the differences with the ab initio data. As a result, this approach will not exclude the possibility that the force field predicts stable geometries or low transition states which are realistically very high in energy and, therefore, never considered by the ab initio method. Our analysis reveals the existence of such unphysical geometries even at unreactive conditions where the distance between the reactants is large. To test the effect of these discrepancies, we launched molecular dynamics simulations using DFT and ReaxFF and observed spurious reactions for both ReaxFF force fields. Our results suggest that the standard procedures for parameter fitting need to be improved by a mutual comparative method.

  8. Performance of AC/graphite capacitors at high weight ratios of AC/graphite

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hongyu [IM and T Ltd., Advanced Research Center, Saga University, 1341 Yoga-machi, Saga 840-0047 (Japan); Yoshio, Masaki [Advanced Research Center, Department of Applied Chemistry, Saga University, 1341 Yoga-machi, Saga 840-0047 (Japan)

    2008-03-01

    The effect of negative to positive electrode materials' weight ratio on the electrochemical performance of both activated carbon (AC)/AC and AC/graphite capacitors has been investigated, especially in the terms of capacity and cycle-ability. The limited capacity charge mode has been proposed to improve the cycle performance of AC/graphite capacitors at high weight ratios of AC/graphite. (author)

  9. Progress in radioactive graphite waste management

    International Nuclear Information System (INIS)

    2010-07-01

    Radioactive graphite constitutes a major waste stream which arises during the decommissioning of certain types of nuclear installations. Worldwide, a total of around 250 000 tonnes of radioactive graphite, comprising graphite moderators and reflectors, will require management solutions in the coming years. 14 C is the radionuclide of greatest concern in nuclear graphite; it arises principally through the interaction of reactor neutrons with nitrogen, which is present in graphite as an impurity or in the reactor coolant or cover gas. 3 H is created by the reactions of neutrons with 6 Li impurities in graphite as well as in fission of the fuel. 36 Cl is generated in the neutron activation of chlorine impurities in graphite. Problems in the radioactive waste management of graphite arise mainly because of the large volumes requiring disposal, the long half-lives of the main radionuclides involved and the specific properties of graphite - such as stored Wigner energy, graphite dust explosibility and the potential for radioactive gases to be released. Various options for the management of radioactive graphite have been studied but a generally accepted approach for its conditioning and disposal does not yet exist. Different solutions may be appropriate in different cases. In most of the countries with radioactive graphite to manage, little progress has been made to date in respect of the disposal of this material. Only in France has there been specific thinking about a dedicated graphite waste-disposal facility (within ANDRA): other major producers of graphite waste (UK and the countries of the former Soviet Union) are either thinking in terms of repository disposal or have no developed plans. A conference entitled 'Solutions for Graphite Waste: a Contribution to the Accelerated Decommissioning of Graphite Moderated Nuclear Reactors' was held at the University of Manchester 21-23 March 2007 in order to stimulate progress in radioactive graphite waste management

  10. Directed self-assembled crystalline oligomer domains on graphene and graphite

    International Nuclear Information System (INIS)

    Balzer, Frank; Sun, Rong; Henrichsen, Henrik H; Klarskov, Mikkel B; Booth, Timothy J; Bøggild, Peter; Parisi, Jürgen; Schiek, Manuela

    2014-01-01

    We observe the formation of thin films of fibre-like aggregates from the prototypical organic semiconductor molecule para-hexaphenylene (p-6P) on graphite thin flakes and on monolayer graphene. Using atomic force microscopy, scanning electron microscopy, x-ray diffraction, polarized fluorescence microscopy, and bireflectance microscopy, the molecular orientations on the surface are deduced and correlated to both the morphology as well as to the high-symmetry directions of the graphitic surface: the molecules align with their long axis at ±11° with respect to a high-symmetry direction. The results show that the graphene surface can be used as a growth substrate to direct the self-assembly of organic molecular thin films and nanofibres, both with and without lithographical processing. (paper)

  11. Electropolymerization of 3-aminophenol on carbon graphite surface: Electric and morphologic properties

    Energy Technology Data Exchange (ETDEWEB)

    Franco, Diego L.; Afonso, Andre S.; Vieira, Sabrina N.; Ferreira, Lucas F. [Institute of Chemistry, Federal University of Uberlandia, Av. Joao Naves de Avila 2121, 38400-902 Uberlandia (Brazil); Goncalves, Rafael A. [School of Mechanical Engineering, Federal University of Uberlandia, Av. Joao Naves de Avila 2121, 38400-902 Uberlandia (Brazil); Brito-Madurro, Ana G. [Institute of Chemistry, Federal University of Uberlandia, Av. Joao Naves de Avila 2121, 38400-902 Uberlandia (Brazil); Madurro, Joao M. [Institute of Chemistry, Federal University of Uberlandia, Av. Joao Naves de Avila 2121, 38400-902 Uberlandia (Brazil)], E-mail: jmadurro@ufu.br

    2008-02-15

    This paper reports the formation of electropolymerized films derived from 3-aminophenol on graphite electrode by cyclic voltammetry, prepared in different pH conditions. With increase of pH values, a shift of the oxidation potential of 3-aminophenol to more cathodic potentials was observed. 3-Aminophenol electrooxidation, in acid and basic media, yielded polymeric films onto graphite surface. In ferrocyanide/ferricyanide solution, the polymer produced in acid medium showed higher electron transfer efficiency. Scanning electron microscopy (SEM), atomic force microscopy (AFM), and FT-IR were used to investigate some properties of the graphite electrode modified with poly(3-aminophenol). Scanning electron microscopy showed that the morphology of the films is strongly dependent on the pH of the electropolymerization medium. FT-IR spectra of polymer films produced for either acid or basic media suggest that the monomer is polymerized by NH{sub 2} group.

  12. Electropolymerization of 3-aminophenol on carbon graphite surface: Electric and morphologic properties

    International Nuclear Information System (INIS)

    Franco, Diego L.; Afonso, Andre S.; Vieira, Sabrina N.; Ferreira, Lucas F.; Goncalves, Rafael A.; Brito-Madurro, Ana G.; Madurro, Joao M.

    2008-01-01

    This paper reports the formation of electropolymerized films derived from 3-aminophenol on graphite electrode by cyclic voltammetry, prepared in different pH conditions. With increase of pH values, a shift of the oxidation potential of 3-aminophenol to more cathodic potentials was observed. 3-Aminophenol electrooxidation, in acid and basic media, yielded polymeric films onto graphite surface. In ferrocyanide/ferricyanide solution, the polymer produced in acid medium showed higher electron transfer efficiency. Scanning electron microscopy (SEM), atomic force microscopy (AFM), and FT-IR were used to investigate some properties of the graphite electrode modified with poly(3-aminophenol). Scanning electron microscopy showed that the morphology of the films is strongly dependent on the pH of the electropolymerization medium. FT-IR spectra of polymer films produced for either acid or basic media suggest that the monomer is polymerized by NH 2 group

  13. Graphite for fusion energy applications

    International Nuclear Information System (INIS)

    Eatherly, W.P.; Clausing, R.E.; Strehlow, R.A.; Kennedy, C.R.; Mioduszewski, P.K.

    1987-03-01

    Graphite is in widespread and beneficial use in present fusion energy devices. This report reflects the view of graphite materials scientists on using graphite in fusion devices. Graphite properties are discussed with emphasis on application to fusion reactors. This report is intended to be introductory and descriptive and is not intended to serve as a definitive information source

  14. Graphite-based photovoltaic cells

    Science.gov (United States)

    Lagally, Max; Liu, Feng

    2010-12-28

    The present invention uses lithographically patterned graphite stacks as the basic building elements of an efficient and economical photovoltaic cell. The basic design of the graphite-based photovoltaic cells includes a plurality of spatially separated graphite stacks, each comprising a plurality of vertically stacked, semiconducting graphene sheets (carbon nanoribbons) bridging electrically conductive contacts.

  15. Nuclear Forces from Effective Field Theory

    International Nuclear Information System (INIS)

    Krebs, H.

    2011-01-01

    Chiral effective field theory allows for a systematic and model-independent derivation of the forces between nucleons in harmony with the symmetries of the quantum chromodynamics. After a brief review on the current status in the development of the chiral nuclear forces I will focus on the role of the Δ-resonance contributions in the nuclear dynamics.We find improvement in the convergence of the chiral expansion of the nuclear forces if we explicitly take into account the Δ-resonance degrees of freedom. The overall results for two-nucleon forces with and without explicit Δ-resonance degrees of freedom are remarkably similar. We discussed the long- and shorter-range N 3 LO contributions to chiral three-nucleon forces. No additional free parameters appear at this order. There are five different topology classes which contribute to the forces. Three of them describe long-range contributions which constitute the first systematic corrections to the leading 2π exchange that appear at N 2 LO. Another two contributions are of a shorter range and include, additionally to an exchange of pions, also one short-range contact interaction and all corresponding 1/m corrections. The requirement of renormalizability leads to unique expressions for N 3 LO contributions to the three-nucleon force (except for 1/m-corrections). We presented the complete N 2 LO analysis of the nuclear forces with explicit Δ-isobar degrees of freedom. Although the overall results in the isospin-conserving case are very similar in the Δ-less and Δ-full theories, we found a much better convergence in all peripheral partial waves once Δ-resonance is explicitly taken into account. The leading CSB contributions to nuclear forces are proportional to nucleon- and Δ-mass splittings. There appear strong cancellations between the two contributions which at leading order yield weaker V III potentials. This effect is, however, entirely compensated at subleading order such that the results in the theories

  16. Graphite in Science and Nuclear Technique

    OpenAIRE

    Zhmurikov, E. I.; Bubnenkov, I. A.; Dremov, V. V.; Samarin, S. I.; Pokrovsky, A. S.; Harkov, D. V.

    2013-01-01

    The monograph is devoted to the application of graphite and graphite composites in science and technology. The structure and electrical properties, the technological aspects of production of high-strength synthetic graphites, the dynamics of the graphite destruction, traditionally used in the nuclear industry are discussed. It is focuses on the characteristics of graphitization and properties of graphite composites based on carbon isotope 13C. The book is based, generally, on the original res...

  17. Management of UKAEA graphite liabilities

    International Nuclear Information System (INIS)

    Wise, M.

    2001-01-01

    The UK Atomic Energy Authority (UKAEA) is responsible for managing its liabilities for redundant research reactors and other active facilities concerned with the development of the UK nuclear technology programme since 1947. These liabilities include irradiated graphite from a variety of different sources including low irradiation temperature reactor graphite (the Windscale Piles 1 and 2, British Energy Pile O and Graphite Low Energy Experimental Pile at Harwell and the Material Testing Reactors at Harwell and Dounreay), advanced gas-cooled reactor graphite (from the Windscale Advanced Gas-cooled Reactor) and graphite from fast reactor systems (neutron shield graphite from the Dounreay Prototype Fast Reactor and Dounreay Fast Reactor). The decommissioning and dismantling of these facilities will give rise to over 6,000 tonnes of graphite requiring disposal. The first graphite will be retrieved from the dismantling of Windscale Pile 1 and the Windscale Advanced Gas-cooled Reactor during the next five years. UKAEA has undertaken extensive studies to consider the best practicable options for disposing of these graphite liabilities in a manner that is safe whilst minimising the associated costs and technical risks. These options include (but are not limited to), disposal as Low Level Waste, incineration, or encapsulation and disposal as Intermediate Level Waste. There are a number of technical issues associated with each of these proposed disposal options; these include Wigner energy, radionuclide inventory determination, encapsulation of graphite dust, galvanic coupling interactions enhancing the corrosion of mild steel and public acceptability. UKAEA is currently developing packaging concepts and designing packaging plants for processing these graphite wastes in consultation with other holders of graphite wastes throughout Europe. 'Letters of Comfort' have been sought from both the Low Level Waste and the Intermediate Level Waste disposal organisations to support the

  18. Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, Anne Myers [Chemistry and Chemical Biology, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States)

    2016-06-07

    Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies for the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.

  19. Electrochemical treatment of graphite

    International Nuclear Information System (INIS)

    Podlovilin, V.I.; Egorov, I.M.; Zhernovoj, A.I.

    1983-01-01

    In the course of investigating various modes of electroche-- mical treatment (ECT) it has been found that graphite anode treatment begins under the ''glow mode''. A behaviour of some marks of graphite with the purpose of ECT technique development in different electrolytes has been tested. Electrolytes have been chosen of three types: highly alkaline (pH 13-14), neutral (pH-Z) and highly acidic (pH 1-2). For the first time parallel to mechanical electroerosion treatment ECT graphite and carbon graphite materials previously considered chemically neutral is proposed. ECT of carbon graphite materials has a number of advantages as compared with electroerrosion and mechanical ones this is treatment rate and purity (ronghness) of the surface. A sMall quantity of sludge (6-8%) under ECT is in highly alkali electrolytes

  20. Glass-Graphite Composite Materials

    International Nuclear Information System (INIS)

    Mayzan, M.Z.H.; Lloyd, J.W.; Heath, P.G.; Stennett, M.C.; Hyatt, N.C.; Hand, R.J.

    2016-01-01

    A summary is presented of investigations into the potential of producing glass-composite materials for the immobilisation of graphite or other carbonaceous materials arising from nuclear power generation. The methods are primarily based on the production of base glasses which are subsequently sintered with powdered graphite or simulant TRISO particles. Consideration is also given to the direct preparation of glass-graphite composite materials using microwave technology. Production of dense composite wasteforms with TRISO particles was more successful than with powdered graphite, as wasteforms containing larger amounts of graphite were resistant to densification and the glasses tried did not penetrate the pores under the pressureless conditions used. Based on the results obtained it is concluded that the production of dense glassgraphite composite wasteforms will require the application of pressure. (author)

  1. Graphite oxidation and structural strength of graphite support column in VHTR

    International Nuclear Information System (INIS)

    Park, Byung Ha; No, Hee Cheno; Kim, Eung Soo; Oh, Chang H.

    2009-01-01

    The air-ingress event by a large pipe break is an important accident considered in design of very high-temperature gas-cooled reactors (VHTR). Core-collapse prediction is a main safety issue. Structural failure model are technically required. The objective of this study is to develop structural failure model for the supporting graphite material in the lower plenum of the GT-MHR (gas-turbine-modular high temperature reactor). Graphite support column is important for VHTR structural integrity. Graphite support columns are under the axial load. Critical strength of graphite column is related to slenderness ratio and bulk density. Through compression tests for fresh and oxidized graphite columns we show that compressive strength of IG-110 was 79.46 MPa. And, the buckling strength of IG-110 column was expressed by the empirical formula: σ 0 =σ straight-line - C L/r, σ straight-line =91.31 MPa, C=1.01. The results of uniform and non-uniform oxidation tests show that the strength degradation of oxidized graphite column is expressed in the following non-dimensional form: σ/σ 0 =exp(-kd), k=0.111. Also, from the results of the uniform oxidation test with a complicated-shape column, we found out that the above non-dimensional equation obtained from the uniform oxidation test is applicable to a uniform oxidation case with a complicated-shape column. (author)

  2. Ion irradiation to simulate neutron irradiation in model graphites: Consequences for nuclear graphite

    Science.gov (United States)

    Galy, N.; Toulhoat, N.; Moncoffre, N.; Pipon, Y.; Bérerd, N.; Ammar, M. R.; Simon, P.; Deldicque, D.; Sainsot, P.

    2017-10-01

    Due to its excellent moderator and reflector qualities, graphite was used in CO2-cooled nuclear reactors such as UNGG (Uranium Naturel-Graphite-Gaz). Neutron irradiation of graphite resulted in the production of 14C which is a key issue radionuclide for the management of the irradiated graphite waste. In order to elucidate the impact of neutron irradiation on 14C behavior, we carried out a systematic investigation of irradiation and its synergistic effects with temperature in Highly Oriented Pyrolitic Graphite (HOPG) model graphite used to simulate the coke grains of nuclear graphite. We used 13C implantation in order to simulate 14C displaced from its original structural site through recoil. The collision of the impinging neutrons with the graphite matrix carbon atoms induces mainly ballistic damage. However, a part of the recoil carbon atom energy is also transferred to the graphite lattice through electronic excitation. The effects of the different irradiation regimes in synergy with temperature were simulated using ion irradiation by varying Sn(nuclear)/Se(electronic) stopping power. Thus, the samples were irradiated with different ions of different energies. The structure modifications were followed by High Resolution Transmission Electron Microscopy (HRTEM) and Raman microspectrometry. The results show that temperature generally counteracts the disordering effects of irradiation but the achieved reordering level strongly depends on the initial structural state of the graphite matrix. Thus, extrapolating to reactor conditions, for an initially highly disordered structure, irradiation at reactor temperatures (200 - 500 °C) should induce almost no change of the initial structure. On the contrary, when the structure is initially less disordered, there should be a "zoning" of the reordering: In "cold" high flux irradiated zones where the ballistic damage is important, the structure should be poorly reordered; In "hot" low flux irradiated zones where the ballistic

  3. Rapid changes in corticospinal excitability during force field adaptation of human walking

    DEFF Research Database (Denmark)

    Barthélemy, Dorothy; Alain, S; Grey, Michael James

    2012-01-01

    measured changes in motor-evoked potentials (MEPs) elicited by transcranial magnetic stimulation (TMS) in the tibialis anterior (TA) muscle before, during, and after subjects adapted to a force field applied to the ankle joint during treadmill walking. When the force field assisted dorsiflexion during...... the swing phase of the step cycle, subjects adapted by decreasing TA EMG activity. In contrast, when the force field resisted dorsiflexion, they increased TA EMG activity. After the force field was removed, normal EMG activity gradually returned over the next 5 min of walking. TA MEPs elicited in the early...... be explained by changes in background TA EMG activity. These effects seemed specific to walking, as similar changes in TA MEP were not seen when seated subjects were tested during static dorsiflexion. These observations suggest that the corticospinal tract contributes to the adaptation of walking...

  4. Carbon nanostructures obtained by underwater arc discharge of graphite electrodes: Synthesis and characterization

    International Nuclear Information System (INIS)

    Darias Gonzalez, J. G.; Hernandez Tabare, L.; Herrera Palma, V.; Sierra Trujillo, J. S.; Desdin Garcia, L. F.; Codorniu Pujals, D.; Bermudez Martinez, A.; Arias de Fuentes, O.; Maury Toledo, A.

    2015-01-01

    In the present work, the application of the method of underwater arc discharge of graphite electrodes for obtaining several carbon nano structures is described. The analysis of the obtained products by Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Raman spectroscopy, Atomic Force Microscopy (AFM) and X-Ray Diffraction (XRD) showed that the samples collected from the material floating on the water surface were composed mainly by polyhedral onion-like particles, while those taken from the precipitate were a mixture multi walled nano-tubes, onion-like particles and other graphitic structures. The main features of the obtained nano structures are discussed. (Author)

  5. Topological and statistical properties of nonlinear force-free fields

    Science.gov (United States)

    Mangalam, A.; Prasad, A.

    2018-01-01

    We use our semi-analytic solution of the nonlinear force-free field equation to construct three-dimensional magnetic fields that are applicable to the solar corona and study their statistical properties for estimating the degree of braiding exhibited by these fields. We present a new formula for calculating the winding number and compare it with the formula for the crossing number. The comparison is shown for a toy model of two helices and for realistic cases of nonlinear force-free fields; conceptually the formulae are nearly the same but the resulting distributions calculated for a given topology can be different. We also calculate linkages, which are useful topological quantities that are independent measures of the contribution of magnetic braiding to the total free energy and relative helicity of the field. Finally, we derive new analytical bounds for the free energy and relative helicity for the field configurations in terms of the linking number. These bounds will be of utility in estimating the braided energy available for nano-flares or for eruptions.

  6. Phonon scattering in graphite

    International Nuclear Information System (INIS)

    Wagner, P.

    1976-04-01

    Effects on graphite thermal conductivities due to controlled alterations of the graphite structure by impurity addition, porosity, and neutron irradiation are shown to be consistent with the phonon-scattering formulation 1/l = Σ/sub i equals 1/sup/n/ 1/l/sub i/. Observed temperature effects on these doped and irradiated graphites are also explained by this mechanism

  7. Charm production and the confining force field

    International Nuclear Information System (INIS)

    Andersson, B.; Bengtsson, H.-U.; Gustafson, G.

    1983-03-01

    We show that charm production at SPS energies can be understood simply from O(α 2 sub (s)) QCD processes when combined with fragmentation of the colour fields stretched by the final state partons. The tension of the confining force field responsible for particle production is found to pull the charmed particles away from the reaction centre, giving rise to a harder x sub (F)-spectrum than would be expected from the bare QCD matrix elements. (Authors)

  8. Nucleation and growth characteristics of graphite spheroids in bainite during graphitization annealing of a medium carbon steel

    International Nuclear Information System (INIS)

    Gao, J.X.; Wei, B.Q.; Li, D.D.; He, K.

    2016-01-01

    The evolution of microstructure in bainite during graphitization annealing at 680 °C of Jominy-quenched bars of an Al-Si bearing medium carbon (0.4C wt%) steel has been studied and compared with that in martensite by using light, scanning and transmission electron microscopy. The results show that the graphitization process in bainite is different from that in martensite in many aspects such as the initial carbon state, the behavior of cementite, the nucleation-growth feature and kinetics of formation of graphite spheroids during graphitization annealing, and the shape, size and distribution of these graphite spheroids. The fact that the graphitization in bainite can produce more homogeneous graphite spheroids with more spherical shape and finer size in a shorter annealing time without the help of preexisting coring particles implies that bainite should be a better starting structure than martensite for making graphitic steel. - Highlights: • This article presents a microstructural characterization of formation of graphite spheroids in bainite. • Nucleation and growth characteristics of graphite spheroids formed in bainite and martensite are compared. • Bainite should be a better starting structure for making graphitic steel as results show.

  9. Electrolysis of acidic sodium chloride solution with a graphite anode. I. Graphite electrode

    NARCIS (Netherlands)

    Janssen, L.J.J.; Hoogland, J.G.

    1969-01-01

    A graphite anode evolving Cl from a chloride soln. is slowly oxidized to CO and CO2. This oxidn. causes a change in the characteristics of the electrode in aging, comprising a change of the nature of the graphite surface and an increase of the surface area. It appears that a new graphite electrode

  10. Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview.

    Science.gov (United States)

    Riniker, Sereina

    2018-03-26

    In molecular dynamics or Monte Carlo simulations, the interactions between the particles (atoms) in the system are described by a so-called force field. The empirical functional form of classical fixed-charge force fields dates back to 1969 and remains essentially unchanged. In a fixed-charge force field, the polarization is not modeled explicitly, i.e. the effective partial charges do not change depending on conformation and environment. This simplification allows, however, a dramatic reduction in computational cost compared to polarizable force fields and in particular quantum-chemical modeling. The past decades have shown that simulations employing carefully parametrized fixed-charge force fields can provide useful insights into biological and chemical questions. This overview focuses on the four major force-field families, i.e. AMBER, CHARMM, GROMOS, and OPLS, which are based on the same classical functional form and are continuously improved to the present day. The overview is aimed at readers entering the field of (bio)molecular simulations. More experienced users may find the comparison and historical development of the force-field families interesting.

  11. Electrochemical treatment of graphite

    Energy Technology Data Exchange (ETDEWEB)

    Podlovilin, V.I.; Egorov, I.M.; Zhernovoj, A.I.

    1983-01-01

    In the course of investigating various modes of electrochemical treatment (ECT) it has been found that graphite anode treatment begins under the ''glow mode''. A behaviour of some marks of graphite with the purpose of ECT technique development in different electrolytes has been tested. Electrolytes have been chosen of three types: highly alkaline (pH 13-14), neutral (pH-Z) and highly acidic (pH 1-2). For the first time parallel to mechanical electroerosion treatment, ECT of graphite and carbon graphite materials previously considered chemically neutral is proposed. ECT of carbon graphite materials has a number of advantages as compared with electroerrosion and mechanical ones with respect to the treatment rate and purity (ronghness) of the surface. A small quantity of sludge (6-8%) under ECT is in highly alkali electrolytes.

  12. Graphite tail powder and liquid biofertilizer as trace elements source for ground nut

    Science.gov (United States)

    Hindersah, Reginawanti; Setiawati, M. Rochimi; Fitriatin, B. Natalie; Suryatama, Pujawati; Asmiran, Priyanka; Panatarani, Camellia; Joni, I. Made

    2018-02-01

    Utilization of graphite tail waste from the mineral beneficiation processing is very important since it contain significant amount of essential minerals which are necessary for plant growth. These mineral are required in biochemical processes and mainly play an important role as cofactor in enzymatic reaction. The objective of this research is to investigate the performance of graphite tail on supporting plant growth and yield of ground nut (Arachishypogeae L.). A field experiment has been performed to test the performance of mixed graphite tail and reduced organic matter dose. The graphite tail size were reduced to various sieved size, -80 mesh, -100 mesh and -200 mesh. The experiment was setup in randomized block design with 4 treatments and 6 replications for each treatment, while the control plot is received without graphite tail. The results demonstrated that reduced organic matter along with -200 mesh tail has potentially decreased plant height at the end of vegetative growth stage, in contrast for to -80 mesh tail amendment increased individual fresh plant biomass. Statistically, there was no change of plant nodule, individual shoot fresh and dry weight, root nodule, number of pod following any mesh of graphite tail amendment. Reducing organic matter while adding graphite tail of 5% did not change bean weight in all plot. In contrast, reduced organic matter along with 80-mesh graphite tail amendment improved the nut yield per plot. This experiment suggests that graphite tail, mainly -80 mesh graphite tail can be possibly used in legume production.

  13. Transport of fission products in matrix and graphite

    International Nuclear Information System (INIS)

    Hoinkis, E.

    1983-06-01

    In the past years new experimental methods were applied to or developed for the investigation of fission product transport in graphitic materials and to characterization of the materials. Models for fission product transport and computer codes for the calculation of core release rates were improved. Many data became available from analysis of concentration profiles in HTR-fuel elements. New work on the effect on diffusion of graphite corrosion, fast neutron flux and fluence, heat treatment, chemical interactions and helium pressure was reported on recently or was in progress in several laboratories. It seemed to be the right time to discuss the status of transport of metallic fission products in general, and in particular the relationship between structural and transport properties. Following a suggestion a Colloquium was organized at the HMI Berlin. Interdisciplinary discussions were stimulated by only inviting a limited number of participants who work in different fields of graphite and fission product transport research. (orig./RW)

  14. Charge-Induced Fluctuation Forces in Graphitic Nanostructures

    Directory of Open Access Journals (Sweden)

    D. Drosdoff

    2016-01-01

    Full Text Available Charge fluctuations in nanocircuits with capacitor components are shown to give rise to a novel type of long-ranged interaction, which coexist with the regular Casimir–van der Waals force. The developed theory distinguishes between thermal and quantum mechanical effects, and it is applied to capacitors involving graphene nanostructures. The charge fluctuations mechanism is captured via the capacitance of the system with geometrical and quantum mechanical components. The dependence on the distance separation, temperature, size, and response properties of the system shows that this type of force can have a comparable and even dominant effect to the Casimir interaction. Our results strongly indicate that fluctuation-induced interactions due to various thermodynamic quantities can have important thermal and quantum mechanical contributions at the microscale and the nanoscale.

  15. A new force field including charge directionality for TMAO in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Usui, Kota; Nagata, Yuki, E-mail: sulpizi@uni-mainz.de, E-mail: nagata@mpip-mainz.mpg.de; Hunger, Johannes; Bonn, Mischa [Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Sulpizi, Marialore, E-mail: sulpizi@uni-mainz.de, E-mail: nagata@mpip-mainz.mpg.de [Johannes Gutenberg University Mainz, Staudingerweg 7, 55099 Mainz (Germany)

    2016-08-14

    We propose a new force field for trimethylamine N-oxide (TMAO), which is designed to reproduce the long-lived and highly directional hydrogen bond between the TMAO oxygen (O{sub TMAO}) atom and surrounding water molecules. Based on the data obtained by ab initio molecular dynamics simulations, we introduce three dummy sites around O{sub TMAO} to mimic the O{sub TMAO} lone pairs and we migrate the negative charge on the O{sub TMAO} to the dummy sites. The force field model developed here improves both structural and dynamical properties of aqueous TMAO solutions. Moreover, it reproduces the experimentally observed dependence of viscosity upon increasing TMAO concentration quantitatively. The simple procedure of the force field construction makes it easy to implement in molecular dynamics simulation packages and makes it compatible with the existing biomolecular force fields. This paves the path for further investigation of protein-TMAO interaction in aqueous solutions.

  16. A new force field including charge directionality for TMAO in aqueous solution

    International Nuclear Information System (INIS)

    Usui, Kota; Nagata, Yuki; Hunger, Johannes; Bonn, Mischa; Sulpizi, Marialore

    2016-01-01

    We propose a new force field for trimethylamine N-oxide (TMAO), which is designed to reproduce the long-lived and highly directional hydrogen bond between the TMAO oxygen (O TMAO ) atom and surrounding water molecules. Based on the data obtained by ab initio molecular dynamics simulations, we introduce three dummy sites around O TMAO to mimic the O TMAO lone pairs and we migrate the negative charge on the O TMAO to the dummy sites. The force field model developed here improves both structural and dynamical properties of aqueous TMAO solutions. Moreover, it reproduces the experimentally observed dependence of viscosity upon increasing TMAO concentration quantitatively. The simple procedure of the force field construction makes it easy to implement in molecular dynamics simulation packages and makes it compatible with the existing biomolecular force fields. This paves the path for further investigation of protein-TMAO interaction in aqueous solutions.

  17. Environmental and health effects review for obscurant graphite flakes. Final report, 1991 July--1993 May

    Energy Technology Data Exchange (ETDEWEB)

    Driver, C.J.; Ligotke, M.W.; Landis, W.G.; Downs, J.L.; Tiller, B.L.; Moore, E.B. Jr.; Cataldo, D.A.

    1993-07-01

    The health and environmental effects of obscurant graphite flakes were reviewed and compared to predicted levels of graphite flake material in the field during typical testing and training scenarios. Graphite flake dispersion and deposition for simulated mechanical and pyrotechnic releases were determined using a modified Gaussian atmospheric plume-dispersion model. The potential for wind resuspension of graphite flakes is controlled by weathering processes and incorporation rates in soil. Chemically, graphite flakes pose little risk to aquatic or terrestrial systems. Mechanical damage to plants and invertebrate and vertebrate organisms from the flakes is also minimal. In humans, the pathological and physiological response to inhaled graphite flake is similar to that induced by nuisance dusts and cause only transient pulmonary changes. Repeated exposure to very high concentrations (such as those near the source generator) may overwhelm the clearance mechanisms of the lung and result in pulmonary damage from the retained particles in unprotected individuals. However, these lesions either resolve with time or are of limited severity. Health effects of mixed aerosols of mixed aerosols of graphite and fog oil are similar to those produced by graphite flakes alone. Environmental impacts of fog oil-coated graphite flakes are not well known.

  18. Interaction and dynamics of ambient water adlayers on graphite probed using AFM voltage nanolithography and electrostatic force microscopy

    International Nuclear Information System (INIS)

    Gowthami, T; Raina, Gargi; Kurra, Narendra

    2014-01-01

    In this work, we report the impact of the interaction and dynamics of increasing ambient water adlayers on etch patterns on a hydrophobic highly oriented pyrolytic graphite (HOPG) surface obtained using atomic force microscopy (AFM) voltage nanolithography in contact mode by applying a positive bias to the sample. The changes in the dimensions of the etch patterns were investigated as a function of the increasing number of water adlayers present on the HOPG, which is varied by changing the time interval since HOPG cleavage. Changes in the width of the etch patterns and the surrounding water droplets were monitored with time, using intermittent-contact-mode AFM. Electrostatic force microscopy (EFM) has been employed to study the charged nature of the etch patterns and the neighboring water film with time. The width of the etch patterns made on freshly cleaved HOPG shows an increase of ∼33% over 48 h, whereas nine-day-old cleaved HOPG shows a 79% increase over the same period. No changes in the dimensions are observed while imaging in a nitrogen atmosphere soon after lithography. In ambient conditions, the EFM phase shift of the patterns shows a large change of ∼84–88% over 30 h. This study demonstrates the effect of the stored electrostatic energy of a polarized ice-like water adlayer, resulting in changes in the dimensions of the etch patterns long after lithography, whereas liquid-like water droplets do not affect the etch patterns. (paper)

  19. Design and performance of a high-resolution frictional force microscope with quantitative three-dimensional force sensitivity

    International Nuclear Information System (INIS)

    Dienwiebel, M.; Kuyper, E. de; Crama, L.; Frenken, J.W.M.; Heimberg, J.A.; Spaanderman, D.-J.; Glatra van Loon, D.; Zijlstra, T.; Drift, E. van der

    2005-01-01

    In this article, the construction and initial tests of a frictional force microscope are described. The instrument makes use of a microfabricated cantilever that allows one to independently measure the lateral forces in X and Y directions as well as the normal force. We use four fiber-optic interferometers to detect the motion of the sensor in three dimensions. The properties of our cantilevers allow easy and accurate normal and lateral force calibration, making it possible to measure the lateral force on a fully quantitative basis. First experiments on highly oriented pyrolytic graphite demonstrate that the microscope is capable of measuring lateral forces with a resolution down to 15 pN

  20. Graphite-graphite oxide composite electrode for vanadium redox flow battery

    International Nuclear Information System (INIS)

    Li Wenyue; Liu Jianguo; Yan Chuanwei

    2011-01-01

    Highlights: → A new composite electrode is designed for vanadium redox flow battery (VRB). → The graphite oxide (GO) is used as electrode reactions catalyst. → The excellent electrode activity is attributed to the oxygen-containing groups attached on the GO surface. → A catalytic mechanism of the GO towards the redox reactions is presumed. - Abstract: A graphite/graphite oxide (GO) composite electrode for vanadium redox battery (VRB) was prepared successfully in this paper. The materials were characterized with X-ray diffraction, X-ray photoelectron spectroscopy and scanning electron microscopy. The specific surface area was measured by the Brunauer-Emmett-Teller method. The redox reactions of [VO 2 ] + /[VO] 2+ and V 3+ /V 2+ were studied with cyclic voltammetry and electrochemical impedance spectroscopy. The results indicated that the electrochemical performances of the electrode were improved greatly when 3 wt% GO was added into graphite electrode. The redox peak currents of [VO 2 ] + /[VO] 2+ and V 3+ /V 2+ couples on the composite electrode were increased nearly twice as large as that on the graphite electrode, and the charge transfer resistances of the redox pairs on the composite electrode are also reduced. The enhanced electrochemical activity could be ascribed to the presence of plentiful oxygen functional groups on the basal planes and sheet edges of the GO and large specific surface areas introduced by the GO.

  1. Dusty plasmas in a constant electric field: Role of the electron drag force

    International Nuclear Information System (INIS)

    Khrapak, S.A.; Morfill, G.E.

    2004-01-01

    We investigate the forces experienced by a microparticle immersed in a weakly ionized plasma with constant electric field. These are electric force and the forces associated with the momentum transfer from electrons and ions drifting in the field (electron and ion drag forces). It is shown that the effect of the electron drag, which is often neglected, can be substantial in a certain parameter range. Numerical calculation of the forces for a reasonable set of plasma parameters is performed to illustrate the importance of this effect

  2. Removal of 14C from Irradiated Graphite for Graphite Recycle and Waste Volume Reduction

    International Nuclear Information System (INIS)

    Dunzik-Gougar, Mary Lou; Windes, Will; Marsden, Barry

    2014-01-01

    The aim of the research presented here was to identify the chemical form of 14 C in irradiated graphite. A greater understanding of the chemical form of this longest-lived isotope in irradiated graphite will inform not only management of legacy waste, but also development of next generation gas-cooled reactors. Approximately 250,000 metric tons of irradiated graphite waste exists worldwide, with the largest single quantity originating in the Magnox and AGR reactors of UK. The waste quantity is expected to increase with decommissioning of Generation II reactors and deployment of Generation I gas-cooled, graphite moderated reactors. Of greatest concern for long-term disposal of irradiated graphite is carbon-14 14 C, with a half-life of 5730 years.

  3. Fuel elements for high temperature reactors having special suitability for reuse of the structural graphite

    International Nuclear Information System (INIS)

    Huschka, H.; Herrmann, F.J.

    1976-01-01

    There are prepared fuel elements for high temperature reactors from which the fuel zone can be removed from the structural graphite after the burnup of the fissile material has taken place so that the fuel element can be filled with new fuel and again placed in the reactor by having the strength of the matrix in the fuel zone sufficient for binding the embedded coated fuel particles but substantially less than the strength of the structural graphite whereby by the action of force it can be easily split up without destroying the particles

  4. Graphite in Science and Nuclear Technology

    OpenAIRE

    Zhmurikov, Evgenij

    2015-01-01

    This review is devoted to the application of graphite and graphite composites in the science and technology. Structure and electrical properties, technological aspects of producing of high-strength artificial graphite and dynamics of its destruction are considered. These type of graphite are traditionally used in the nuclear industry, so author concentrates on actual problems of application and testing of graphite materials in modern science and technology. Translated from chapters 1 of monog...

  5. Effect of thermal annealing on property changes of neutron-irradiated non-graphitized carbon materials and nuclear graphite

    International Nuclear Information System (INIS)

    Matsuo, Hideto

    1991-06-01

    Changes in dimension of non-graphitized carbon materials and nuclear graphite, and the bulk density, electrical resistivity, Young's modulus and thermal expansivity of nuclear graphite were studied after neutron irradiation at 1128-1483 K and the successive thermal annealing up to 2573 K. Carbon materials showed larger and anisotropic dimensional shrinkage than that of nuclear graphite after the irradiation. The irradiation-induced dimensional shrinkage of carbon materials decreased during annealing at temperatures from 1773 to 2023 K, followed by a slight increase at higher temperatures. On the other hand, the irradiated nuclear graphite hardly showed the changes in length, density and thermal expansivity under the thermal annealing, but the electrical resistivity and Young's modulus showed a gradual decrease with annealing temperature. It has been clarified that there exists significant difference in the effect of thermal annealing on irradiation-induced dimensional shrinkage between graphitized nuclear graphite and non-graphitized carbon materials. (author)

  6. Chemical stabilization of graphite surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bistrika, Alexander A.; Lerner, Michael M.

    2018-04-03

    Embodiments of a device, or a component of a device, including a stabilized graphite surface, methods of stabilizing graphite surfaces, and uses for the devices or components are disclosed. The device or component includes a surface comprising graphite, and a plurality of haloaryl ions and/or haloalkyl ions bound to at least a portion of the graphite. The ions may be perhaloaryl ions and/or perhaloalkyl ions. In certain embodiments, the ions are perfluorobenzenesulfonate anions. Embodiments of the device or component including stabilized graphite surfaces may maintain a steady-state oxidation or reduction surface current density after being exposed to continuous oxidation conditions for a period of at least 1-100 hours. The device or component is prepared by exposing a graphite-containing surface to an acidic aqueous solution of the ions under oxidizing conditions. The device or component can be exposed in situ to the solution.

  7. Analysis of Wigner energy release process in graphite stack of shut-down uranium-graphite reactor

    OpenAIRE

    Bespala, E. V.; Pavliuk, A. O.; Kotlyarevskiy, S. G.

    2015-01-01

    Data, which finding during thermal differential analysis of sampled irradiated graphite are presented. Results of computational modeling of Winger energy release process from irradiated graphite staking are demonstrated. It's shown, that spontaneous combustion of graphite possible only in adiabatic case.

  8. Graphene levitation and orientation control using a magnetic field

    Science.gov (United States)

    Niu, Chao; Lin, Feng; Wang, Zhiming M.; Bao, Jiming; Hu, Jonathan

    2018-01-01

    This paper studies graphene levitation and orientation control using a magnetic field. The torques in all three spatial directions induced by diamagnetic forces are used to predict stable conditions for different shapes of millimeter-sized graphite plates. We find that graphite plates, in regular polygon shapes with an even number of sides, will be levitated in a stable manner above four interleaved permanent magnets. In addition, the orientation of micrometer-sized graphene flakes near a permanent magnet is studied in both air and liquid environments. Using these analyses, we are able to simulate optical transmission and reflection on a writing board and thereby reveal potential applications using this technology for display screens. Understanding the control of graphene flake orientation will lead to the discovery of future applications using graphene flakes.

  9. Distribution of the thermal neutron field around the graphite reflector of the Dalat Nuclear Research Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Huy, Ngo Quang [Centre for Nuclear Technique Application, Ho Chi Minh City (Viet Nam); Thong, Ha Van; Long, Vu Hai; Khang, Ngo Phu; Binh, Nguyen Duc; Tuan, Nguyen Minh; Vinh, Le Vinh [Nuclear Research Inst., Da Lat (Viet Nam)

    1994-10-01

    Thermal neutron flux distributions around the graphite reflector of the Dalat Nuclear Research Reactor are determined by the method for neutron activating Cu foils. The major results are as follows: a/The axial distributions at the inner and outer margins of the graphite reflector have unsymmetrical shapes, similar to axial distributions in the core. There is a dissimilarity between the distribution curves at the inner margin and those at the outer margin of the reflector. b/ The radial distribution on the upper surface of the graphite reflector is measured and is described by the two-group neutron diffusion theory. The maximal value of the curve lies at the position of R{sub m}ax = 22.5 cm. c/ The distribution in the twenty water irradiation holes around the rotary specimen rack is obtained. (author). 3 refs., 5 figs., 1 tab.

  10. Van der Waals Forces and Photon-Less Effective Field Theory

    International Nuclear Information System (INIS)

    Arriola, E.R.

    2011-01-01

    In the ultra-cold regime Van der Waals forces between neutral atoms can be represented by short range effective interactions. We show that universal low energy scaling features of the underlying vdW long range force stemming from two photon exchange impose restrictions on an Effective Field Theory without explicit photons. The role of naively redundant operators, relevant to the definition of three body forces, is also analyzed. (author)

  11. Management of radioactive waste in nuclear power: handling of irradiated graphite from water-cooled graphite reactors

    International Nuclear Information System (INIS)

    Anfimov, S.S.

    2001-01-01

    In this paper an radioactive waste processing of graphite from graphite moderated nuclear reactors at its decommissioning is discussed. Methods of processing of irradiated graphite are presented. It can be concluded that advanced methods for graphite radioactive waste handling are available nowadays. Implementation of these methods will allow to enhance environmental safety of nuclear power that will benefit its progress in the future

  12. Explicit polarization: a quantum mechanical framework for developing next generation force fields.

    Science.gov (United States)

    Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

    2014-09-16

    Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples

  13. TET Offensive II Field Force Vietnam After Action Report 31 January - 18 February 1968

    Science.gov (United States)

    1968-03-01

    and the 5th VC Division. V During this same period of time there were no majur shifts in ARVN forces . However III Corps shifted three...8217-".•: ’ ’SSIFJED U.S. ARMY. VIETNAM. II FIELD FORCE . TET OFFENSIVE II FIELD FORCE VIETNAM AFTER ACTION REPORT, 31 JANUARY-18 FEB- RUARY 1968...H FIELD FORCE VIETNAM AFTER ACTION REPORT 31 January-18 February 1968 RECORD K0- ! FlSjl fi-.-A-,>-•: it tT*\\ : *si h s» -wP Mr-, £< St

  14. Bromine intercalated graphite for lightweight composite conductors

    KAUST Repository

    Amassian, Aram

    2017-07-20

    A method of fabricating a bromine-graphite/metal composite includes intercalating bromine within layers of graphite via liquid-phase bromination to create brominated-graphite and consolidating the brominated-graphite with a metal nanopowder via a mechanical pressing operation to generate a bromine-graphite/metal composite material.

  15. Finger-Shaped GelForce: Sensor for Measuring Surface Traction Fields for Robotic Hand.

    Science.gov (United States)

    Sato, K; Kamiyama, K; Kawakami, N; Tachi, S

    2010-01-01

    It is believed that the use of haptic sensors to measure the magnitude, direction, and distribution of a force will enable a robotic hand to perform dexterous operations. Therefore, we develop a new type of finger-shaped haptic sensor using GelForce technology. GelForce is a vision-based sensor that can be used to measure the distribution of force vectors, or surface traction fields. The simple structure of the GelForce enables us to develop a compact finger-shaped GelForce for the robotic hand. GelForce that is developed on the basis of an elastic theory can be used to calculate surface traction fields using a conversion equation. However, this conversion equation cannot be analytically solved when the elastic body of the sensor has a complicated shape such as the shape of a finger. Therefore, we propose an observational method and construct a prototype of the finger-shaped GelForce. By using this prototype, we evaluate the basic performance of the finger-shaped GelForce. Then, we conduct a field test by performing grasping operations using a robotic hand. The results of this test show that using the observational method, the finger-shaped GelForce can be successfully used in a robotic hand.

  16. Irradiation damage in graphite. The works of Professor B.T. Kelly

    International Nuclear Information System (INIS)

    Marsden, B.J.

    1996-01-01

    The irradiation damage produced in graphite by energetic neutrons (>100eV) has been extensively studied because of the use of graphite as a moderator in thermal nuclear reactors. In recent times, graphite has been adopted as the protective tiling of the inner wall of experimental fusion systems and property changes due to fusion neutrons have become important. The late Professor B.T. Kelly reviewed the work carried out on the irradiation behaviour of graphite since the 1940s. This work is particularly timely as the scale of research into the effects of fission neutrons has been greatly reduced and many of the active researchers have retired. In recent years, new programmes of work are being formulated for the use of graphite in both the field of high temperature reactor systems and fusion systems. It is therefore important that the knowledge gained by Professor Kelly and other workers is not lost but passed on to future generations of nuclear scientists and engineers. This paper reviews Professor Kelly's last work, it also draws on the experience gained during many long discussions with Brian during the years he worked closely with the present graphite team at AEA Technology. It is hoped to publish his work in full in the near future. (author). 13 refs, 14 figs, 3 tabs

  17. Radiation reaction force and unification of electromagnetic and gravitational fields

    International Nuclear Information System (INIS)

    Lo, C.Y.; Goldstein, G.R.; Napier, A.

    1981-04-01

    A unified theory of electromagnetic and gravitational fields should modify classical electrodynamics such that the radiation reaction force is accounted for. The analysis leads to a five-dimensional unified theory of five variables. The theory is supported by showing that, for the case of a charged particle moving in a constant magnetic field, the radiation reaction force is indeed included. Moreover, this example shows explicitly that physical changes are associated with the fifth variable. Thus, the notion of a physical five-dimensional space should be seriously taken into consideration

  18. Systematic Parameterization of Lignin for the CHARMM Force Field

    Energy Technology Data Exchange (ETDEWEB)

    Vermaas, Joshua; Petridis, Loukas; Beckham, Gregg; Crowley, Michael

    2017-07-06

    Plant cell walls have three primary components, cellulose, hemicellulose, and lignin, the latter of which is a recalcitrant, aromatic heteropolymer that provides structure to plants, water and nutrient transport through plant tissues, and a highly effective defense against pathogens. Overcoming the recalcitrance of lignin is key to effective biomass deconstruction, which would in turn enable the use of biomass as a feedstock for industrial processes. Our understanding of lignin structure in the plant cell wall is hampered by the limitations of the available lignin forcefields, which currently only account for a single linkage between lignins and lack explicit parameterization for emerging lignin structures both from natural variants and engineered lignin structures. Since polymerization of lignin occurs via radical intermediates, multiple C-O and C-C linkages have been isolated , and the current force field only represents a small subset of lignin the diverse lignin structures found in plants. In order to take into account the wide range of lignin polymerization chemistries, monomers and dimer combinations of C-, H-, G-, and S-lignins as well as with hydroxycinnamic acid linkages were subjected to extensive quantum mechanical calculations to establish target data from which to build a complete molecular mechanics force field tuned specifically for diverse lignins. This was carried out in a GPU-accelerated global optimization process, whereby all molecules were parameterized simultaneously using the same internal parameter set. By parameterizing lignin specifically, we are able to more accurately represent the interactions and conformations of lignin monomers and dimers relative to a general force field. This new force field will enables computational researchers to study the effects of different linkages on the structure of lignin, as well as construct more accurate plant cell wall models based on observed statistical distributions of lignin that differ between

  19. Rate-dependent mode I interlaminar crack growth mechanisms in graphite/epoxy and graphite/PEEK

    Science.gov (United States)

    Gillespie, J. W., Jr.; Carlsson, L. A.; Smiley, A. J.

    1987-01-01

    In this paper the mode I fracture behavior of graphite/epoxy and graphite/PEEK composites is examined over four decades of crosshead rates (0.25-250 mm/min). Straight-sided double-cantilever-beam specimens consisting of unidirectional laminates were tested at room temperature. For graphite/epoxy the load-deflection response was linear to fracture, and stable slow crack growth initiating at the highest load level was observed for all rates tested. In contrast, mode I crack growth in the graphite/PEEK material was often unstable and showed stick-slip behavior. Subcritical crack growth occurring prior to the onset of fracture was observed at intermediate displacement rates. A mechanism for the fracture behavior of the graphite/PEEK material (based on viscoelastic, plastic, and microcrack coalescence in the process zone) is proposed and related to the observed rate-dependent phenomena.

  20. Secondary Structure of Rat and Human Amylin across Force Fields.

    Directory of Open Access Journals (Sweden)

    Kyle Quynn Hoffmann

    Full Text Available The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin was determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient

  1. Quantifying microstructural dynamics and electrochemical activity of graphite and silicon-graphite lithium ion battery anodes

    Science.gov (United States)

    Pietsch, Patrick; Westhoff, Daniel; Feinauer, Julian; Eller, Jens; Marone, Federica; Stampanoni, Marco; Schmidt, Volker; Wood, Vanessa

    2016-09-01

    Despite numerous studies presenting advances in tomographic imaging and analysis of lithium ion batteries, graphite-based anodes have received little attention. Weak X-ray attenuation of graphite and, as a result, poor contrast between graphite and the other carbon-based components in an electrode pore space renders data analysis challenging. Here we demonstrate operando tomography of weakly attenuating electrodes during electrochemical (de)lithiation. We use propagation-based phase contrast tomography to facilitate the differentiation between weakly attenuating materials and apply digital volume correlation to capture the dynamics of the electrodes during operation. After validating that we can quantify the local electrochemical activity and microstructural changes throughout graphite electrodes, we apply our technique to graphite-silicon composite electrodes. We show that microstructural changes that occur during (de)lithiation of a pure graphite electrode are of the same order of magnitude as spatial inhomogeneities within it, while strain in composite electrodes is locally pronounced and introduces significant microstructural changes.

  2. The influence of catch trials on the consolidation of motor memory in force field adaptation tasks

    Directory of Open Access Journals (Sweden)

    Anne eFocke

    2013-07-01

    Full Text Available In computational neuroscience it is generally accepted that human motor memory contains neural representations of the physics of the musculoskeletal system and the objects in the environment. These representations are called internal models. Force field studies, in which subjects have to adapt to dynamic perturbations induced by a robotic manipulandum, are an established tool to analyze the characteristics of such internal models. The aim of the current study was to investigate whether catch trials during force field learning could influence the consolidation of motor memory in more complex tasks. Thereby, the force field was more than double the force field of previous studies (35 Ns/m. Moreover, the arm of the subjects was not supported. A total of forty-six subjects participated in this study and performed center-out movements at a robotic manipulandum in two different force fields. Two control groups learned force field A on day 1 and were retested in the same force field on day 3 (AA. Two test groups additionally learned an interfering force field B (=-A on day 2 (ABA. The difference between the two test and control groups, respectively, was the absence (0% or presence (19% of catch trials, in which the force field was turned off suddenly. The results showed consolidation of force field A on day 3 for both control groups. Test groups showed no consolidation of force field A (19% catch trials and even poorer performance on day 3 (0% catch trials. In conclusion, it can be stated that catch trials seem to have a positive effect on the performance on day 3 but do not trigger a consolidation process as shown in previous studies that used a lower force field viscosity with supported arm. These findings indicate that the results of previous studies in which less complex tasks were analyzed, cannot be fully transferred to more complex tasks. Moreover, the effects of catch trials in these situations are insufficiently understood and further research

  3. Erosion of pyrolytic graphite and Ti-doped graphite due to high flux irradiation

    International Nuclear Information System (INIS)

    Ohtsuka, Yusuke; Ohashi, Junpei; Ueda, Yoshio; Isobe, Michiro; Nishikawa, Masahiro

    1997-01-01

    The erosion of pyrolytic graphite and titanium doped graphite RG-Ti above 1,780 K was investigated by 5 keV Ar beam irradiation with the flux from 4x10 19 to 1x10 21 m -2 ·s -1 . The total erosion yields were significantly reduced with the flux. This reduction would be attributed to the reduction of RES (radiation enhanced sublimation) yield, which was observed in the case of isotropic graphite with the flux dependence of RES yield of φ -0.26 (φ: flux) obtained in our previous work. The yield of pyrolytic graphite was roughly 30% higher than that of isotropic graphite below the flux of 10 20 m -2 ·s -1 whereas each yield approached to very close value at the highest flux of 1x10 21 m -2 ·s -1 . This result indicated that the effect of graphite structure on the RES yield, which was apparent in the low flux region, would disappear in the high flux region probably due to the disordering of crystal structure. In the case of irradiation to RG-Ti at 1,780 K, the surface undulations evolved with a mean height of about 3 μm at 1.2x10 20 m -2 ·s -1 , while at higher flux of 8.0x10 20 m -2 ·s -1 they were unrecognizable. These phenomena can be explained by the reduction of RES of graphite parts excluding TiC grains. (author)

  4. Synthesis of graphene oxide and reduced graphene oxide by needle platy natural vein graphite

    Energy Technology Data Exchange (ETDEWEB)

    Rathnayake, R.M.N.M. [National Institute of Fundamental Studies, Kandy (Sri Lanka); Graduate School of Engineering, Toyota Technological Institute, 2-12-1 Hisakata, Tempaku, Nagoya 468-8511 (Japan); Wijayasinghe, H.W.M.A.C., E-mail: athulawijaya@gmail.com [National Institute of Fundamental Studies, Kandy (Sri Lanka); Pitawala, H.M.T.G.A. [Department of Geology, University of Peradeniya, Peradeniya (Sri Lanka); Yoshimura, Masamichi; Huang, Hsin-Hui [Graduate School of Engineering, Toyota Technological Institute, 2-12-1 Hisakata, Tempaku, Nagoya 468-8511 (Japan)

    2017-01-30

    Highlights: • The high purity of this form of needle platy natural vein graphite is expected to synthesize GO and rGO readily and efficiently, as compared to the synthetic and less pure graphite raw materials. • Production of large-scale GO and rGO for industrial applications can be achieved by using this highly crystalline NPG vein graphite, and it adds value to the natural resources. • High quality, few-layer, and cost effective GO and rGO can achieve great results using this low cost, natural graphite. - Abstract: Among natural graphite varieties, needle platy vein graphite (NPG) has very high purity. Therefore, it is readily used to prepare graphene oxide (GO) and reduced graphene oxide (rGO). In this study, GO and rGO were prepared using chemical oxidation and reduction process, respectively. The synthesized materials were characterized by X-ray diffraction (XRD), atomic force microscopy (AFM), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared (FTIR) spectroscopy. XRD studies confirmed the increase of the interlayer spacing of GO and rGO in between 3.35 to 8.66 A°. AFM studies showed the layer height of rGO to be 1.05 nm after the reduction process. TEM micrographs clearly illustrated that the prepared GO has more than 25 layers, while the rGO has only less than 15 layers. Furthermore, the effect of chemical oxidation and reduction processes on surface morphology of graphite were clearly observed in FESEM micrographs. The calculated R{sub O/C} of GO and rGO using XPS analysis are 5.37% and 1.77%, respectively. The present study revealed the successful and cost effective nature of the chemical oxidation, and the reduction processes for the production of GO and rGO out of natural vein graphite.

  5. Synthesis of graphene oxide and reduced graphene oxide by needle platy natural vein graphite

    International Nuclear Information System (INIS)

    Rathnayake, R.M.N.M.; Wijayasinghe, H.W.M.A.C.; Pitawala, H.M.T.G.A.; Yoshimura, Masamichi; Huang, Hsin-Hui

    2017-01-01

    Highlights: • The high purity of this form of needle platy natural vein graphite is expected to synthesize GO and rGO readily and efficiently, as compared to the synthetic and less pure graphite raw materials. • Production of large-scale GO and rGO for industrial applications can be achieved by using this highly crystalline NPG vein graphite, and it adds value to the natural resources. • High quality, few-layer, and cost effective GO and rGO can achieve great results using this low cost, natural graphite. - Abstract: Among natural graphite varieties, needle platy vein graphite (NPG) has very high purity. Therefore, it is readily used to prepare graphene oxide (GO) and reduced graphene oxide (rGO). In this study, GO and rGO were prepared using chemical oxidation and reduction process, respectively. The synthesized materials were characterized by X-ray diffraction (XRD), atomic force microscopy (AFM), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared (FTIR) spectroscopy. XRD studies confirmed the increase of the interlayer spacing of GO and rGO in between 3.35 to 8.66 A°. AFM studies showed the layer height of rGO to be 1.05 nm after the reduction process. TEM micrographs clearly illustrated that the prepared GO has more than 25 layers, while the rGO has only less than 15 layers. Furthermore, the effect of chemical oxidation and reduction processes on surface morphology of graphite were clearly observed in FESEM micrographs. The calculated R_O_/_C of GO and rGO using XPS analysis are 5.37% and 1.77%, respectively. The present study revealed the successful and cost effective nature of the chemical oxidation, and the reduction processes for the production of GO and rGO out of natural vein graphite.

  6. Analytical and numerical study of graphite IG110 parts in advanced reactor under high temperature and irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Jinling, E-mail: Jinling_Gao@yeah.net; Yao, Wenjuan, E-mail: wj_yao@yeah.net; Ma, Yudong

    2016-08-15

    Graphical abstract: An analytical model and a numerical procedure are developed to study the mechanical response of IG-110 graphite bricks in HTGR subjected to high temperature and irradiation. The calculation results show great accordance with each other. Rational suggestions on the calculation and design of the IG-110 graphite structure are proposed based on the sensitivity analyses including temperature, irradiation dimensional change, creep and Poisson’s ratio. - Highlights: • Analytical solution of stress and displacement of IG-110 graphite components in HTGR. • Finite element procedure developed for stress analysis of HTGR graphite component. • Parameters analysis of mechanical response of graphite components during the whole life of the reflector. - Abstract: Structural design of nuclear power plant project is an important sub-discipline of civil engineering. Especially after appearance of the fourth generation advanced high temperature gas cooled reactor, structural mechanics in reactor technology becomes a popular subject in structural engineering. As basic ingredients of reflector in reactor, graphite bricks are subjected to high temperature and irradiation and the stress field of graphite structures determines integrity of reflector and makes a great difference to safety of whole structure. In this paper, based on assumptions of elasticity, side reflector is regarded approximately as a straight cylinder structure and primary creep strain is ignored. An analytical study on stress of IG110 graphite parts is present. Meanwhile, a finite element procedure for calculating stresses in the IG110 graphite structure exposed in the high temperature and irradiation is developed. Subsequently, numerical solution of stress in IG110 graphite structure is obtained. Analytical solution agrees well with numerical solution, which indicates that analytical derivation is accurate. Finally, influence of temperature, irradiation dimensional change, creep and Poisson

  7. Accurate van der Waals force field for gas adsorption in porous materials.

    Science.gov (United States)

    Sun, Lei; Yang, Li; Zhang, Ya-Dong; Shi, Qi; Lu, Rui-Feng; Deng, Wei-Qiao

    2017-09-05

    An accurate van der Waals force field (VDW FF) was derived from highly precise quantum mechanical (QM) calculations. Small molecular clusters were used to explore van der Waals interactions between gas molecules and porous materials. The parameters of the accurate van der Waals force field were determined by QM calculations. To validate the force field, the prediction results from the VDW FF were compared with standard FFs, such as UFF, Dreiding, Pcff, and Compass. The results from the VDW FF were in excellent agreement with the experimental measurements. This force field can be applied to the prediction of the gas density (H 2 , CO 2 , C 2 H 4 , CH 4 , N 2 , O 2 ) and adsorption performance inside porous materials, such as covalent organic frameworks (COFs), zeolites and metal organic frameworks (MOFs), consisting of H, B, N, C, O, S, Si, Al, Zn, Mg, Ni, and Co. This work provides a solid basis for studying gas adsorption in porous materials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  8. Metal/graphite-composite materials for fusion device

    International Nuclear Information System (INIS)

    Kneringer, G.; Kny, E.; Fischer, W.; Reheis, N.; Staffler, R.; Samm, U.; Winter, J.

    1995-01-01

    The utilization of graphite as a structural material depends to an important extent on the availability of a joining technique suitable for the production of reliable large scale metal/graphite-composites. This study has been conducted to evaluate vacuum brazes and procedures for graphite and metals which can be used in fusion applications up to about 1500 degree C. The braze materials included: AgCuTi, CuTi, NiTi, Ti, ZrTi, Zr. Brazing temperatures ranged from 850 degree C to 1900 degree C. The influence of graphite quality on wettability and pore-penetration of the braze has been investigated. Screening tests of metal/graphite-assemblies with joint areas exceeding some square-centimeters have shown that they can only successfully be produced when graphite is brazed to a metal, such as tungsten or molybdenum with a coefficient of thermal expansion closely matching that of graphite. Therefore all experimental work on evaluation of joints has been concentrated on molybdenum/graphite brazings. The tensile strength of molybdenum/graphite-composites compares favorably with the tensile strength of bulk graphite from room temperature close to the melting temperature of the braze. In electron beam testing the threshold damage line for molybdenum/graphite-composites has been evaluated. Results show that even composites with the low melting AgCuTi-braze are expected to withstand 10 MW/m 2 power density for at least 10 3 cycles. Limiter testing in TEXTOR shows that molybdenum/graphite-segments with 3 mm graphite brazed on molybdenum-substrate withstand severe repeated TEXTOR plasma discharge conditions without serious damage. Results prove that actively cooled components on the basis of a molybdenum/graphite-composite can sustain a higher heat flux than bulk graphite alone. (author)

  9. Melting temperature of graphite

    International Nuclear Information System (INIS)

    Korobenko, V.N.; Savvatimskiy, A.I.

    2001-01-01

    Full Text: Pulse of electrical current is used for fast heating (∼ 1 μs) of metal and graphite specimens placed in dielectric solid media. Specimen consists of two strips (90 μm in thick) placed together with small gap so they form a black body model. Quasy-monocrystal graphite specimens were used for uniform heating of graphite. Temperature measurements were fulfilled with fast pyrometer and with composite 2-strip black body model up to melting temperature. There were fulfilled experiments with zirconium and tungsten of the same black body construction. Additional temperature measurements of liquid zirconium and liquid tungsten are made. Specific heat capacity (c P ) of liquid zirconium and of liquid tungsten has a common feature in c P diminishing just after melting. It reveals c P diminishing after melting in both cases over the narrow temperature range up to usual values known from steady state measurements. Over the next wide temperature range heat capacity for W (up to 5000 K) and Zr (up to 4100 K) show different dependencies of heat capacity on temperature in liquid state. The experiments confirmed a high quality of 2-strip black body model used for graphite temperature measurements. Melting temperature plateau of tungsten (3690 K) was used for pyrometer calibration area for graphite temperature measurement. As a result, a preliminary value of graphite melting temperature of 4800 K was obtained. (author)

  10. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

    International Nuclear Information System (INIS)

    Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.

    2016-01-01

    An empirically parameterized intermolecular force field is developed for crystal structure modelling and prediction. The model is optimized for use with an atomic multipole description of electrostatic interactions. We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%

  11. Characterization of Ignalina NPP RBMK Reactors Graphite

    International Nuclear Information System (INIS)

    Hacker, P.J.; Neighbour, G.B.; Levinskas, R.; Milcius, D.

    2001-01-01

    The paper concentrates on the investigations of the initial physical properties of graphite used in production of graphite bricks of Ignalina NPP. These graphite bricks are used as nuclear moderator and major core structural components. Graphite bulk density is calculated by mensuration, pore volumes are measured by investigation of helium gas penetration in graphite pore network, the Young's modulus is determined using an ultrasonic time of flight method, the coefficient of thermal expansion is determined using a Netzsch dilatometer 402C, the fractured and machined graphite surfaces are studied using SEM, impurities are investigated qualitatively by EDAX, the degree of graphitization of the material is tested using X-ray diffraction. (author)

  12. Nonequilibrium forces between atoms and dielectrics mediated by a quantum field

    International Nuclear Information System (INIS)

    Behunin, Ryan O.; Hu, Bei-Lok

    2011-01-01

    In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables--the medium, the quantum field, and the atom's internal degrees of freedom, in that order--to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom's internal degrees of freedom results in an equation of motion for the atom's center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom's motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.

  13. AGC-2 Graphite Preirradiation Data Package

    Energy Technology Data Exchange (ETDEWEB)

    David Swank; Joseph Lord; David Rohrbaugh; William Windes

    2012-10-01

    The NGNP Graphite R&D program is currently establishing the safe operating envelope of graphite core components for a Very High Temperature Reactor (VHTR) design. The program is generating quantitative data necessary for predicting the behavior and operating performance of the new nuclear graphite grades. To determine the in-service behavior of the graphite for pebble bed and prismatic designs, the Advanced Graphite Creep (AGC) experiment is underway. This experiment is examining the properties and behavior of nuclear grade graphite over a large spectrum of temperatures, neutron fluences and compressive loads. Each experiment consists of over 400 graphite specimens that are characterized prior to irradiation and following irradiation. Six experiments are planned with the first, AGC-1, currently being irradiated in the Advanced Test Reactor (ATR) and pre-irradiation characterization of the second, AGC-2, completed. This data package establishes the readiness of 512 specimens for assembly into the AGC-2 capsule.

  14. Bromine intercalated graphite for lightweight composite conductors

    KAUST Repository

    Amassian, Aram; Patole, Archana

    2017-01-01

    A method of fabricating a bromine-graphite/metal composite includes intercalating bromine within layers of graphite via liquid-phase bromination to create brominated-graphite and consolidating the brominated-graphite with a metal nanopowder via a

  15. Metal/graphite - composites in fusion engineering

    International Nuclear Information System (INIS)

    Staffler, R.; Kneringer, G.; Kny, E.; Reheis, N.

    1995-01-01

    Metal/graphite composites have been well known in medical industry for many years. X-ray tubes used in modern radiography, particulary in computerized tomography are equipped with rotating targets able to absorb a maximum of heat in a given time. Modern rotating targets consist of a refractory metal/graphite composite. Today the use of graphite as a plasma facing material is one predominant concept in fusion engineering. Depending on the thermal load, the graphite components have to be directly cooled (i.e. divertor plates) or inertially cooled (i.e. firstwall tiles). In case of direct cooling a metallurgical joining such as high temperature brazing between graphite and a metalic cooling structure shows the most promising results /1/. Inertially cooled graphite tiles have to be joined to a metallic backing plate in order to get a stable attachment to the supporting structure. The main requirements on the metallic partner of a metal/graphite composite and in the first wall area are: high melting point, high thermal strength, high thermal conductivity, low vapour pressure and a thermal expansion matching that of graphite. These properties are typical for the refractory metals such as molybdenum, tungsten and their alloys. (author)

  16. Nuclear graphite for high temperature reactors

    International Nuclear Information System (INIS)

    Marsden, B.J.

    2001-01-01

    The cores and reflectors in modern High Temperature Gas Cooled Reactors (HTRs) are constructed from graphite components. There are two main designs; the Pebble Bed design and the Prism design. In both of these designs the graphite not only acts as a moderator, but is also a major structural component that may provide channels for the fuel and coolant gas, channels for control and safety shut off devices and provide thermal and neutron shielding. In addition, graphite components may act as a heat sink or conduction path during reactor trips and transients. During reactor operation, many of the graphite component physical properties are significantly changed by irradiation. These changes lead to the generation of significant internal shrinkage stresses and thermal shut down stresses that could lead to component failure. In addition, if the graphite is irradiated to a very high irradiation dose, irradiation swelling can lead to a rapid reduction in modulus and strength, making the component friable.The irradiation behaviour of graphite is strongly dependent on its virgin microstructure, which is determined by the manufacturing route. Nevertheless, there are available, irradiation data on many obsolete graphites of known microstructures. There is also a well-developed physical understanding of the process of irradiation damage in graphite. This paper proposes a specification for graphite suitable for modern HTRs. (author)

  17. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...... of the TS geometry on the flexibility of the system has been probed by fixing layers of atoms around the active site and using increasingly larger nonbonded cutoffs. The variability over the 20 structures is found to decrease as the system is made more flexible. Relative energies have been calculated...... by various electronic structure methods, where part of the enzyme is represented by a force field description and the effects of the solvent are represented by a continuum model. The relative energies vary by several hundreds of kJ/mol between the transition structures, and tests showed that a large part...

  18. Development of a reactive force field for iron-oxyhydroxide systems.

    Science.gov (United States)

    Aryanpour, Masoud; van Duin, Adri C T; Kubicki, James D

    2010-06-03

    We adopt a classical force field methodology, ReaxFF, which is able to reproduce chemical reactions, and train its parameters for the thermodynamics of iron oxides as well as energetics of a few iron redox reactions. Two parametrizations are developed, and their results are compared with quantum calculations or experimental measurements. In addition to training, two test cases are considered: the lattice parameters of a selected set of iron minerals, and the molecular dynamics simulation of a model for alpha-FeOOH (goethite)-water interaction. Reliability and limitations of the developed force fields in predicting structure and energetics are discussed.

  19. Heat exchanger using graphite foam

    Science.gov (United States)

    Campagna, Michael Joseph; Callas, James John

    2012-09-25

    A heat exchanger is disclosed. The heat exchanger may have an inlet configured to receive a first fluid and an outlet configured to discharge the first fluid. The heat exchanger may further have at least one passageway configured to conduct the first fluid from the inlet to the outlet. The at least one passageway may be composed of a graphite foam and a layer of graphite material on the exterior of the graphite foam. The layer of graphite material may form at least a partial barrier between the first fluid and a second fluid external to the at least one passageway.

  20. Exfoliated graphite with graphene flakes as potential candidates for TL dosimeters at high gamma doses.

    Science.gov (United States)

    Ortiz-Morales, A; López-González, E; Rueda-Morales, G; Ortega-Cervantez, G; Ortiz-Lopez, J

    2018-06-06

    Graphite powder (GP) subjected to microwave radiation (MWG) results in exfoliation of graphite particles into few-layered graphene flakes (GF) intermixed with partially exfoliated graphite particles (PEG). Characterization of MWG by Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM) and Raman spectroscopy reveal few-layer GF with sizes ranging from 0.2 to 5 µm. Raman D, G, and 2D (G') bands characteristic of graphitic structures include evidence of the presence of bilayered graphene. The thermoluminescent (TL) dosimetric properties of MWG are evaluated and can be characterized as a gamma-ray sensitive and dose-resistant material with kinetic parameters (activation energy for the main peak located at 400 and 408 K is 0.69 and 0.72 eV) and threshold dose (~1 kGy and 5 kGy respectively). MWG is a low-Z material (Z eff = 6) with a wide linear range of TL dose-response (0.170-2.5 kGy) tested at doses in the 1-20 kGy range with promising results for applications in gamma-ray dosimetry. Results obtained in gamma irradiated MWG are compared with those obtained in graphite powder samples (GP) without microwave treatment. Copyright © 2018 Elsevier Ltd. All rights reserved.

  1. The influence of buoyant forces and volume fraction of particles on the particle pushing/entrapment transition during directional solidification of Al/SiC and Al/graphite composites

    Science.gov (United States)

    Stefanescu, Doru M.; Moitra, Avijit; Kacar, A. Sedat; Dhindaw, Brij K.

    1990-01-01

    Directional solidification experiments in a Bridgman-type furnace were used to study particle behavior at the liquid/solid interface in aluminum metal matrix composites. Graphite or siliconcarbide particles were first dispersed in aluminum-base alloys via a mechanically stirred vortex. Then, 100-mm-diameter and 120-mm-long samples were cast in steel dies and used for directional solidification. The processing variables controlled were the direction and velocity of solidification and the temperature gradient at the interface. The material variables monitored were the interface energy, the liquid/particle density difference, the particle/liquid thermal conductivity ratio, and the volume fraction of particles. These properties were changed by selecting combinations of particles (graphite or silicon carbide) and alloys (Al-Cu, Al-Mg, Al-Ni). A model which considers process thermodynamics, process kinetics (including the role of buoyant forces), and thermophysical properties was developed. Based on solidification direction and velocity, and on materials properties, four types of behavior were predicted. Sessile drop experiments were also used to determine some of the interface energies required in calculation with the proposed model. Experimental results compared favorably with model predictions.

  2. Chemically reduced graphene contains inherent metallic impurities present in parent natural and synthetic graphite

    Science.gov (United States)

    Ambrosi, Adriano; Chua, Chun Kiang; Khezri, Bahareh; Sofer, Zdeněk; Webster, Richard D.; Pumera, Martin

    2012-01-01

    Graphene-related materials are in the forefront of nanomaterial research. One of the most common ways to prepare graphenes is to oxidize graphite (natural or synthetic) to graphite oxide and exfoliate it to graphene oxide with consequent chemical reduction to chemically reduced graphene. Here, we show that both natural and synthetic graphite contain a large amount of metallic impurities that persist in the samples of graphite oxide after the oxidative treatment, and chemically reduced graphene after the chemical reduction. We demonstrate that, despite a substantial elimination during the oxidative treatment of graphite samples, a significant amount of impurities associated to the chemically reduced graphene materials still remain and alter their electrochemical properties dramatically. We propose a method for the purification of graphenes based on thermal treatment at 1,000 °C in chlorine atmosphere to reduce the effect of such impurities on the electrochemical properties. Our findings have important implications on the whole field of graphene research. PMID:22826262

  3. Chemically reduced graphene contains inherent metallic impurities present in parent natural and synthetic graphite.

    Science.gov (United States)

    Ambrosi, Adriano; Chua, Chun Kiang; Khezri, Bahareh; Sofer, Zdeněk; Webster, Richard D; Pumera, Martin

    2012-08-07

    Graphene-related materials are in the forefront of nanomaterial research. One of the most common ways to prepare graphenes is to oxidize graphite (natural or synthetic) to graphite oxide and exfoliate it to graphene oxide with consequent chemical reduction to chemically reduced graphene. Here, we show that both natural and synthetic graphite contain a large amount of metallic impurities that persist in the samples of graphite oxide after the oxidative treatment, and chemically reduced graphene after the chemical reduction. We demonstrate that, despite a substantial elimination during the oxidative treatment of graphite samples, a significant amount of impurities associated to the chemically reduced graphene materials still remain and alter their electrochemical properties dramatically. We propose a method for the purification of graphenes based on thermal treatment at 1,000 °C in chlorine atmosphere to reduce the effect of such impurities on the electrochemical properties. Our findings have important implications on the whole field of graphene research.

  4. Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

    OpenAIRE

    Savelyev, Alexey; MacKerell, Alexander D.

    2014-01-01

    Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedure for balancing the electrostatic interactions between ions, water, and DNA as required for development of the Drude force field for DNA. The proper balance of these interactions is shown to impact DNA stability and...

  5. Studies of physicochemical properties of graphite oxide and thermally exfoliated/reduced graphene oxide

    Directory of Open Access Journals (Sweden)

    Drewniak Sabina Elżbieta

    2015-12-01

    Full Text Available The aim of the experimental research studies was to determine some electrical properties of graphite oxide and thermally exfoliated/reduced graphene oxide. The authors tried to interpret the obtained physicochemical results. For that purpose, both resistance measurements and investigation studies were carried out in order to characterize the samples. The resistance was measured at various temperatures in the course of composition changes of gas atmospheres (which surround the samples. The studies were also supported by such methods as: scanning electron microscopy (SEM, Raman spectroscopy (RS, atomic force microscopy (AFM and thermogravimetry (TG. Moreover, during the experiments also the elemental analyses (EA of the tested samples (graphite oxide and thermally exfoliated/reduced graphene oxide were performed.

  6. Acoustic emission from polycrystalline graphites

    International Nuclear Information System (INIS)

    Ioka, I.; Yoda, S.; Oku, T.; Miyamoto, Y.

    1987-01-01

    Acoustic emission was monitored from polycrystalline graphites with different microstructure (pore size and pore volume) subjected to compressive loading. The graphites used in this study comprised five brands, that is, PGX, ISEM-1, IG-11, IG-15, and ISO-88. A root mean square (RMS) voltage and event counts of acoustic emission for graphites were measured during compressive loading. The acoustic emission was measured using a computed-based data acquisition and analysis system. The graphites were first deformed up to 80 % of the average fracture stress, then unloaded and reloaded again until the fracture occured. During the first loading, the change in RMS voltage for acoustic emission was detected from the initial stage. During the unloading, the RMS voltage became zero level as soon as the applied stress was released and then gradually rose to a peak and declined. The behavior indicated that the reversed plastic deformation occured in graphites. During the second loading, the RMS voltage gently increased until the applied stress exceeded the maximum stress of the first loading; there is no Kaiser effect in the graphites. A bicrystal model could give a reasonable explanation of this results. The empirical equation between the ratio of σ AE to σ f and σ f was obtained. It is considered that the detection of microfracture by the acoustic emission technique is effective in macrofracture prediction of polycrystalline graphites. (author)

  7. Martini Coarse-Grained Force Field : Extension to DNA

    NARCIS (Netherlands)

    Uusitalo, Jaakko J.; Ingolfsson, Helgi I.; Akhshi, Parisa; Tieleman, D. Peter; Marrink, Siewert J.

    We systematically parameterized a coarsegrained (CG) model for DNA that is compatible with the Martini force field. The model maps each nucleotide into six to seven CG beads and is parameterized following the Martini philosophy. The CG nonbonded interactions are based on partitioning of the

  8. Martini Coarse-Grained Force Field : Extension to Carbohydrates

    NARCIS (Netherlands)

    Lopez, Cesar A.; Rzepiela, Andrzej J.; de Vries, Alex H.; Dijkhuizen, Lubbert; Huenenberger, Philippe H.; Marrink, Siewert J.

    2009-01-01

    We present an extension of the Martini coarse-grained force field to carbohydrates. The parametrization follows the same philosophy as was used previously for lipids and proteins, focusing on the reproduction of partitioning free energies of small compounds between polar and nonpolar phases. The

  9. Porous (Swiss-Cheese Graphite

    Directory of Open Access Journals (Sweden)

    Joseph P. Abrahamson

    2018-05-01

    Full Text Available Porous graphite was prepared without the use of template by rapidly heating the carbonization products from mixtures of anthracene, fluorene, and pyrene with a CO2 laser. Rapid CO2 laser heating at a rate of 1.8 × 106 °C/s vaporizes out the fluorene-pyrene derived pitch while annealing the anthracene coke. The resulting structure is that of graphite with 100 nm spherical pores. The graphitizablity of the porous material is the same as pure anthracene coke. Transmission electron microscopy revealed that the interfaces between graphitic layers and the pore walls are unimpeded. Traditional furnace annealing does not result in the porous structure as the heating rates are too slow to vaporize out the pitch, thereby illustrating the advantage of fast thermal processing. The resultant porous graphite was prelithiated and used as an anode in lithium ion capacitors. The porous graphite when lithiated had a specific capacity of 200 mAh/g at 100 mA/g. The assembled lithium ion capacitor demonstrated an energy density as high as 75 Wh/kg when cycled between 2.2 V and 4.2 V.

  10. Artificial force fields for multi-agent simulations of maritime traffic and risk estimation

    NARCIS (Netherlands)

    Xiao, F.; Ligteringen, H.; Van Gulijk, C.; Ale, B.J.M.

    2012-01-01

    A probabilistic risk model is designed to estimate probabilities of collisions for shipping accidents in busy waterways. We propose a method based on multi-agent simulation that uses an artificial force field to model ship maneuvers. The artificial force field is calibrated by AIS data (Automatic

  11. Directed self-assembled crystalline oligomer domains on graphene and graphite

    DEFF Research Database (Denmark)

    Balzer, Frank; Henrichsen, Henrik Hartmann; Klarskov, Mikkel Buster

    2014-01-01

    We observe the formation of thin films of fibre-like aggregates from the prototypical organic semiconductor molecule para-hexaphenylene (p-6P) on graphite thin flakes and on monolayer graphene. Using atomic force microscopy, scanning electron microscopy, x-ray diffraction, polarized fluorescence...... show that the graphene surface can be used as a growth substrate to direct the self-assembly of organic molecular thin films and nanofibres, both with and without lithographical processing....

  12. A Graphite Isotope Ratio Method: A Primer on Estimating Plutonium Production in Graphite Moderated Reactors

    International Nuclear Information System (INIS)

    Gesh, Christopher J.

    2004-01-01

    The Graphite Isotope Ratio Method (GIRM) is a technique used to estimate the total plutonium production in a graphite-moderated reactor. The cumulative plutonium production in that reactor can be accurately determined by measuring neutron irradiation induced isotopic ratio changes in certain impurity elements within the graphite moderator. The method does not require detailed knowledge of a reactor's operating history, although that knowledge can decrease the uncertainty of the production estimate. The basic premise of the Graphite Isotope Ratio Method is that the fluence in non-fuel core components is directly related to the cumulative plutonium production in the nuclear fuel

  13. Metal/graphite - composites in fusion engineering

    International Nuclear Information System (INIS)

    Staffler, R.; Kneringer, G.; Kny, E.; Reheis, N.

    1989-01-01

    Metal/graphite composites have been well known in medical industry for many years. X-ray tubes used in modern radiography, particularly in computerized tomography are equipped with rotating targets able to absorb a maximum of heat in a given time. Modern rotating targets consist of a refractory metal/graphite composite. Today the use of graphite as a plasma facing material is one predominant concept in fusion engineering. Depending on the thermal load, the graphite components have to be directly cooled (i.e. divertor plates) or inertially cooled (i.e. firstwall tiles). In case of direct cooling a metallurgical joining such as high temperature brazing between graphite and a metallic cooling structure shows the most promising results /1/. Inertially cooled graphite tiles have to be joined to a metallic backing plate in order to get a stable attachment to the supporting structure. The main requirements on the metallic partner of a metal/graphite composite used in the first wall area are: high melting point, high thermal strength, high thermal conductivity, low vapor pressure and a thermal expansion matching that of graphite. These properties are typical for the refractory metals such as molybdenum, tungsten and their alloys. 4 refs., 13 figs., 1 tab

  14. Method of Joining Graphite Fibers to a Substrate

    Science.gov (United States)

    Beringer, Durwood M. (Inventor); Caron, Mark E. (Inventor); Taddey, Edmund P. (Inventor); Gleason, Brian P. (Inventor)

    2014-01-01

    A method of assembling a metallic-graphite structure includes forming a wetted graphite subassembly by arranging one or more layers of graphite fiber material including a plurality of graphite fibers and applying a layer of metallization material to ends of the plurality of graphite fibers. At least one metallic substrate is secured to the wetted graphite subassembly via the layer of metallization material.

  15. Mesostructure of graphite composite and its lifetime

    OpenAIRE

    Zhmurikov, Evgenij

    2015-01-01

    This review is devoted to the application of graphite and graphite composites in science and technology. Structure and electrical properties, as so technological aspects of producing of high strength artificial graphite and dynamics of its destruction are considered. These type of graphite are traditionally used in the nuclear industry. Generally, the review relies, on the original results and concentrates on actual problems of application and testing of graphite materials in modern nuclear p...

  16. Building machine learning force fields for nanoclusters

    Science.gov (United States)

    Zeni, Claudio; Rossi, Kevin; Glielmo, Aldo; Fekete, Ádám; Gaston, Nicola; Baletto, Francesca; De Vita, Alessandro

    2018-06-01

    We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analyzing the performance of 2-body, 3-body, and many-body kernel functions on a set of 19-atom Ni cluster structures. We find that 2-body GP kernels fail to provide faithful force estimates, despite succeeding in bulk Ni systems. However, both 3- and many-body kernels predict forces within an ˜0.1 eV/Å average error even for small training datasets and achieve high accuracy even on out-of-sample, high temperature structures. While training and testing on the same structure always provide satisfactory accuracy, cross-testing on dissimilar structures leads to higher prediction errors, posing an extrapolation problem. This can be cured using heterogeneous training on databases that contain more than one structure, which results in a good trade-off between versatility and overall accuracy. Starting from a 3-body kernel trained this way, we build an efficient non-parametric 3-body force field that allows accurate prediction of structural properties at finite temperatures, following a newly developed scheme [A. Glielmo et al., Phys. Rev. B 95, 214302 (2017)]. We use this to assess the thermal stability of Ni19 nanoclusters at a fractional cost of full ab initio calculations.

  17. Synthesis of soluble graphite and graphene.

    Science.gov (United States)

    Kelly, K F; Billups, W E

    2013-01-15

    Because of graphene's anticipated applications in electronics and its thermal, mechanical, and optical properties, many scientists and engineers are interested in this material. Graphene is an isolated layer of the π-stacked hexagonal allotrope of carbon known as graphite. The interlayer cohesive energy of graphite, or exfoliation energy, that results from van der Waals attractions over the interlayer spacing distance of 3.34 Å (61 meV/C atom) is many times weaker than the intralayer covalent bonding. Since graphene itself does not occur naturally, scientists and engineers are still learning how to isolate and manipulate individual layers of graphene. Some researchers have relied on the physical separation of the sheets, a process that can sometimes be as simple as peeling of sheets from crystalline graphite using Scotch tape. Other researchers have taken an ensemble approach, where they exploit the chemical conversion of graphite to the individual layers. The typical intermediary state is graphite oxide, which is often produced using strong oxidants under acidic conditions. Structurally, researchers hypothesize that acidic functional groups functionalize the oxidized material at the edges and a network of epoxy groups cover the sp(2)-bonded carbon network. The exfoliated material formed under these conditions can be used to form dispersions that are usually unstable. However, more importantly, irreversible defects form in the basal plane during oxidation and remain even after reduction of graphite oxide back to graphene-like material. As part of our interest in the dissolution of carbon nanomaterials, we have explored the derivatization of graphite following the same procedures that preserve the sp(2) bonding and the associated unique physical and electronic properties in the chemical processing of single-walled carbon nanotubes. In this Account, we describe efficient routes to exfoliate graphite either into graphitic nanoparticles or into graphene without

  18. A levitation force and magnetic field distribution measurement system in three dimensions

    International Nuclear Information System (INIS)

    Yang, W.M.; Chao, X.X.; Shu, Z.B.; Zhu, S.H.; Wu, X.L.; Bian, X.B.; Liu, P.

    2006-01-01

    A levitation force and magnetic field distribution measurement system in three dimension has been designed and constructed, which can be used for the levitation force measurement between a superconductor and a magnet, or magnet to magnet in three dimensions; and for the measurement of magnetic field distribution in three dimensions according to your need in space. It can also give out the dynamical changing result of magnetic field density with time during levitation force measurement. If we change the sensor of the detector of the measurement system, it also can be used for other kinds of measurement of physical properties. It is a good device for the measurement of magnetic properties of materials. In addition the device can also be used to work at carving in three dimensions

  19. Management of radioactive waste in nuclear power: handling of irradiated graphite from water-cooled graphite reactors

    International Nuclear Information System (INIS)

    Anfimov, S.S.

    2000-01-01

    As a result of decommissioning of water-cooled graphite-moderated reactors, a large amount of rad-waste in the form of graphite stack fragments is generated (on average 1500-2000 tons per reactor). That is why it is essentially important, although complex from the technical point of view, to develop advanced technologies based on up-to-date remotely-controlled systems for unmanned dismantling of the graphite stack containing highly-active long-lived radionuclides and for conditioning of irradiated graphite (IG) for the purposes of transportation and subsequent long term and ecologically safe storage either on NPP sites or in special-purpose geological repositories. The main characteristics critical for radiation and nuclear hazards of the graphite stack are as follows: the graphite stack is contaminated with nuclear fuel that has gotten there as a result of the accidents; the graphite mass is 992 tons, total activity -6?104 Ci (at the time of unit shutdown); the fuel mass in the reactor stack amounts to 100-140 kg, as estimated by IPPE and RDIPE, respectively; γ-radiation dose rate in the stack cells varies from 4 to 4300 R/h, with the prevailing values being in the range from 50 to 100 R/h. In this paper the traditional methods of rad-waste handling as bituminization technology, cementing technology are discussed. In terms of IG handling technology two lines were identified: long-term storage of conditioned IG and IG disposal by means of incineration. The specific cost of graphite immobilization in a radiation-resistant polymeric matrix amounts to -2600 USD per 1 t of graphite, whereas the specific cost of immobilization in slag-stone containers with an inorganic binder (cement) is -1400 USD per 1 t of graphite. On the other hand, volume of conditioned IG rad-waste subject for disposal, if obtained by means of the first technology, is 2-2.5 times less than the volume of rad-waste generated by means of the second technology. It can be concluded from the above that

  20. Self-consistent mean field forces in turbulent plasmas: Current and momentum relaxation

    International Nuclear Information System (INIS)

    Hegna, C.C.

    1997-08-01

    The properties of turbulent plasmas are described using the two-fluid equations. Under some modest assumptions, global constraints for the turbulent mean field forces that act on the ion and electron fluids are derived. These constraints imply a functional form for the parallel mean field forces in the Ohm's law and the momentum balance equation. These forms suggest that the fluctuations attempt to relax the plasma to a state where both the current and the bulk plasma momentum are aligned along the mean magnetic field with proportionality constants that are global constants. Observations of flow profile evolution during discrete dynamo activity in reversed field pinch experiments are interpreted

  1. Carbon-14 Graphitization Chemistry

    Science.gov (United States)

    Miller, James; Collon, Philippe; Laverne, Jay

    2014-09-01

    Accelerator Mass Spectrometry (AMS) is a process that allows for the analysis of mass of certain materials. It is a powerful process because it results in the ability to separate rare isotopes with very low abundances from a large background, which was previously impossible. Another advantage of AMS is that it only requires very small amounts of material for measurements. An important application of this process is radiocarbon dating because the rare 14C isotopes can be separated from the stable 14N background that is 10 to 13 orders of magnitude larger, and only small amounts of the old and fragile organic samples are necessary for measurement. Our group focuses on this radiocarbon dating through AMS. When performing AMS, the sample needs to be loaded into a cathode at the back of an ion source in order to produce a beam from the material to be analyzed. For carbon samples, the material must first be converted into graphite in order to be loaded into the cathode. My role in the group is to convert the organic substances into graphite. In order to graphitize the samples, a sample is first combusted to form carbon dioxide gas and then purified and reduced into the graphite form. After a couple weeks of research and with the help of various Physics professors, I developed a plan and began to construct the setup necessary to perform the graphitization. Once the apparatus is fully completed, the carbon samples will be graphitized and loaded into the AMS machine for analysis.

  2. Room-temperature ferromagnetism in graphite driven by 2D networks of point defects

    Czech Academy of Sciences Publication Activity Database

    Červenka, Jiří; Katsnelson, M.I.; Flipse, C.F.J.

    2009-01-01

    Roč. 5, č. 11 (2009), s. 840-844 ISSN 1745-2473 Institutional research plan: CEZ:AV0Z10100521 Keywords : ferromagnetism * graphite * defects * magnetic force microscopy * superconductive quantum interference device Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 15.491, year: 2009 http://www.nature.com/nphys/journal/v5/n11/full/nphys1399.html

  3. Sultan - forced flow, high field test facility

    International Nuclear Information System (INIS)

    Horvath, I.; Vecsey, G.; Weymuth, P.; Zellweger, J.

    1981-01-01

    Three European laboratories: CNEN (Frascati, I) ECN (Petten, NL) and SIN (Villigen, CH) decided to coordinate their development efforts and to install a common high field forced flow test facility at Villigen Switzerland. The test facility SULTAN (Supraleiter Testanlage) is presently under construction. As a first step, an 8T/1m bore solenoid with cryogenic periphery will be ready in 1981. The cryogenic system, data acquisition system and power supplies which are contributed by SIN are described. Experimental feasibilities, including cooling, and instrumentation are reviewed. Progress of components and facility construction is described. Planned extension of the background field up to 12T by insert coils is outlined. 5 refs

  4. Progress in radioactive graphite waste management. Additional information

    International Nuclear Information System (INIS)

    2010-06-01

    Radioactive graphite constitutes a major waste stream which arises during the decommissioning of certain types of nuclear installations. Worldwide, a total of around 250 000 tonnes of radioactive graphite, comprising graphite moderators and reflectors, will require management solutions in the coming years. 14 C is the radionuclide of greatest concern in nuclear graphite; it arises principally through the interaction of reactor neutrons with nitrogen, which is present in graphite as an impurity or in the reactor coolant or cover gas. 3 H is created by the reactions of neutrons with 6 Li impurities in graphite as well as in fission of the fuel. 36 Cl is generated in the neutron activation of chlorine impurities in graphite. Problems in the radioactive waste management of graphite arise mainly because of the large volumes requiring disposal, the long half-lives of the main radionuclides involved and the specific properties of graphite - such as stored Wigner energy, graphite dust explosibility and the potential for radioactive gases to be released. Various options for the management of radioactive graphite have been studied but a generally accepted approach for its conditioning and disposal does not yet exist. Different solutions may be appropriate in different cases. In most of the countries with radioactive graphite to manage, little progress has been made to date in respect of the disposal of this material. Only in France has there been specific thinking about a dedicated graphite waste-disposal facility (within ANDRA): other major producers of graphite waste (UK and the countries of the former Soviet Union) are either thinking in terms of repository disposal or have no developed plans. A conference entitled 'Solutions for Graphite Waste: a Contribution to the Accelerated Decommissioning of Graphite Moderated Nuclear Reactors' was held at the University of Manchester 21-23 March 2007 in order to stimulate progress in radioactive graphite waste management

  5. Inhibition of oxidation in nuclear graphite

    International Nuclear Information System (INIS)

    Winston, Philip L.; Sterbentz, James W.; Windes, William E.

    2015-01-01

    Graphite is a fundamental material of high-temperature gas-cooled nuclear reactors, providing both structure and neutron moderation. Its high thermal conductivity, chemical inertness, thermal heat capacity, and high thermal structural stability under normal and off-normal conditions contribute to the inherent safety of these reactor designs. One of the primary safety issues for a high-temperature graphite reactor core is the possibility of rapid oxidation of the carbon structure during an off-normal design basis event where an oxidising atmosphere (air ingress) can be introduced to the hot core. Although the current Generation IV high-temperature reactor designs attempt to mitigate any damage caused by a postulated air ingress event, the use of graphite components that inhibit oxidation is a logical step to increase the safety of these reactors. Recent experimental studies of graphite containing between 5.5 and 7 wt% boron carbide (B 4 C) indicate that oxidation is dramatically reduced even at prolonged exposures at temperatures up to 900 deg. C. The proposed addition of B 4 C to graphite components in the nuclear core would necessarily be enriched in B-11 isotope in order to minimise B-10 neutron absorption and graphite swelling. The enriched boron can be added to the graphite during billet fabrication. Experimental oxidation rate results and potential applications for borated graphite in nuclear reactor components will be discussed. (authors)

  6. Characterization of the Intrinsic Water Wettability of Graphite Using Contact Angle Measurements: Effect of Defects on Static and Dynamic Contact Angles.

    Science.gov (United States)

    Kozbial, Andrew; Trouba, Charlie; Liu, Haitao; Li, Lei

    2017-01-31

    Elucidating the intrinsic water wettability of the graphitic surface has increasingly attracted research interests, triggered by the recent finding that the well-established hydrophobicity of graphitic surfaces actually results from airborne hydrocarbon contamination. Currently, static water contact angle (WCA) is often used to characterize the intrinsic water wettability of graphitic surfaces. In the current paper, we show that because of the existence of defects, static WCA does not necessarily characterize the intrinsic water wettability. Freshly exfoliated graphite of varying qualities, characterized using atomic force microscopy and Raman spectroscopy, was studied using static, advancing, and receding WCA measurements. The results showed that graphite of different qualities (i.e., defect density) always has a similar advancing WCA, but it could have very different static and receding WCAs. This finding indicates that defects play an important role in contact angle measurements, and the static contact angle does not always represent the intrinsic water wettability of pristine graphite. On the basis of the experimental results, a qualitative model is proposed to explain the effect of defects on static, advancing, and receding contact angles. The model suggests that the advancing WCA reflects the intrinsic water wettability of pristine (defect-free) graphite. Our results showed that the advancing WCA for pristine graphite is 68.6°, which indicates that graphitic carbon is intrinsically mildly hydrophilic.

  7. The Alexandria library, a quantum-chemical database of molecular properties for force field development.

    Science.gov (United States)

    Ghahremanpour, Mohammad M; van Maaren, Paul J; van der Spoel, David

    2018-04-10

    Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

  8. The Alexandria library, a quantum-chemical database of molecular properties for force field development

    Science.gov (United States)

    Ghahremanpour, Mohammad M.; van Maaren, Paul J.; van der Spoel, David

    2018-04-01

    Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

  9. Graphite oxidation in HTGR atmosphere

    International Nuclear Information System (INIS)

    Growcock, F.B.; Barry, J.J.; Finfrock, C.C.; Rivera, E.; Heiser, J.H. III

    1982-01-01

    On-going and recently completed studies of the effect of thermal oxidation on the structural integrity of HTGR candidate graphites are described, and some results are presented and discussed. This work includes the study of graphite properties which may play decisive roles in the graphites' resistance to oxidation and fracture: pore size distribution, specific surface area and impurity distribution. Studies of strength loss mechanisms in addition to normal oxidation are described. Emphasis is placed on investigations of the gas permeability of HTGR graphites and the surface burnoff phenomenon observed during recent density profile measurements. The recently completed studies of catalytic pitting and the effects of prestress and stress on reactivity and ultimate strength are also discussed

  10. Preparation of graphite derivatives by selective reduction of graphite oxide and isocyanate functionalization

    Energy Technology Data Exchange (ETDEWEB)

    Santha Kumar, Arunjunai Raja Shankar [Materials Science Centre, Indian Institute of Technology, Kharagpur, 721302, West Bengal (India); Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, 01069, Dresden (Germany); Piana, Francesco [Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, 01069, Dresden (Germany); Organic Chemistry of Polymers, Technische Universität Dresden, 01062, Dresden (Germany); Mičušík, Matej [Polymer Institute, Slovak Academy of Sciences, Dúbravská cesta 9, 845 41, Bratislava (Slovakia); Pionteck, Jürgen, E-mail: pionteck@ipfdd.de [Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, 01069, Dresden (Germany); Banerjee, Susanta [Materials Science Centre, Indian Institute of Technology, Kharagpur, 721302, West Bengal (India); Voit, Brigitte [Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, 01069, Dresden (Germany); Organic Chemistry of Polymers, Technische Universität Dresden, 01062, Dresden (Germany)

    2016-10-01

    Heavily oxidized and ordered graphene nanoplatelets were produced from natural graphite by oxidation using a mixture of phosphoric acid, sulphuric acid, and potassium permanganate (Marcano's method). The atomic percentage of oxygen in the graphite oxide produced was more than 30% confirmed by XPS studies. The graphite oxide produced had intact basal planes and remains in a layered structure with interlayer distance of 0.8 nm, analyzed by WAXS. The graphite oxide was treated with 4,4′-methylenebis(phenyl isocyanate) (MDI) to produce grafted isocyanate functionalization. Introduction of these bulky functional groups widens the interlayer distance to 1.3 nm. In addition, two reduction methods, namely benzyl alcohol mediated reduction and thermal reduction were carried out on isocyanate modified and unmodified graphite oxides and compared to each other. The decrease in the oxygen content and the sp{sup 3} defect-repair were studied with XPS and RAMAN spectroscopy. Compared to the thermal reduction process, which is connected with large material loss, the benzyl alcohol mediated reduction process is highly effective in defect repair. This resulted in an increase of conductivity of at least 9 orders of magnitude compared to the graphite oxide. - Highlights: • Preparation of GO by Marcano's method results in defined interlayer spacing. • Treatment of GO with diisocyanate widens the interlayer spacing to 1.3 nm. • Chemical reduction of GO with benzyl alcohol is effective in defect repair. • Electrical conductivity increases by 9 orders of magnitude during chemical reduction. • The isocyanate functionalization is stable under chemical reducing conditions.

  11. Attenuation of thermal neutron through graphite

    International Nuclear Information System (INIS)

    Adib, M.; Ismaail, H.; Fathaallah, M.; Abbas, Y.; Habib, N.; Wahba, M.

    2004-01-01

    Calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of graphite temperature and crystalline from for neutron energies from 1 me V< E<10 eV were carried out. Computer programs have been developed which allow calculation for the graphite hexagonal closed-pack structure in its polycrystalline form and pyrolytic one. I The calculated total cross-section for polycrystalline graphite were compared with the experimental values. An overall agreement is indicated between the calculated values and experimental ones. Agreement was also obtained for neutron cross-section measured for oriented pyrolytic graphite at room and liquid nitrogen temperatures. A feasibility study for use of graphite in powdered form as a cold neutron filter is details. The calculated attenuation of thermal neutrons through large mosaic pyrolytic graphite show that such crystals can be used effectively as second order filter of thermal neutron beams and that cooling improve their effectiveness

  12. Atomic friction at exposed and buried graphite step edges: Experiments and simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Zhijiang; Martini, Ashlie, E-mail: amartini@ucmerced.edu [School of Engineering, University of California Merced, 5200 N. Lake Road, Merced, California 95343 (United States)

    2015-06-08

    The surfaces of layered materials such as graphite exhibit step edges that affect friction. Step edges can be exposed, where the step occurs at the outmost layer, or buried, where the step is underneath another layer of material. Here, we study friction at exposed and buried step edges on graphite using an atomic force microscope (AFM) and complementary molecular dynamics simulations of the AFM tip apex. Exposed and buried steps exhibit distinct friction behavior, and the friction on either step is affected by the direction of sliding, i.e., moving up or down the step, and the bluntness of the tip. These trends are analyzing in terms of the trajectory of the AFM tip as it moves over the step, which is a convolution of the topography of the surface and the tip shape.

  13. Atomic friction at exposed and buried graphite step edges: Experiments and simulations

    International Nuclear Information System (INIS)

    Ye, Zhijiang; Martini, Ashlie

    2015-01-01

    The surfaces of layered materials such as graphite exhibit step edges that affect friction. Step edges can be exposed, where the step occurs at the outmost layer, or buried, where the step is underneath another layer of material. Here, we study friction at exposed and buried step edges on graphite using an atomic force microscope (AFM) and complementary molecular dynamics simulations of the AFM tip apex. Exposed and buried steps exhibit distinct friction behavior, and the friction on either step is affected by the direction of sliding, i.e., moving up or down the step, and the bluntness of the tip. These trends are analyzing in terms of the trajectory of the AFM tip as it moves over the step, which is a convolution of the topography of the surface and the tip shape

  14. AGC-3 Graphite Preirradiation Data Analysis Report

    Energy Technology Data Exchange (ETDEWEB)

    William Windes; David Swank; David Rohrbaugh; Joseph Lord

    2013-09-01

    This report describes the specimen loading order and documents all pre-irradiation examination material property measurement data for the graphite specimens contained within the third Advanced Graphite Capsule (AGC-3) irradiation capsule. The AGC-3 capsule is third in six planned irradiation capsules comprising the Advanced Graphite Creep (AGC) test series. The AGC test series is used to irradiate graphite specimens allowing quantitative data necessary for predicting the irradiation behavior and operating performance of new nuclear graphite grades to be generated which will ascertain the in-service behavior of the graphite for pebble bed and prismatic Very High Temperature Reactor (VHTR) designs. The general design of AGC-3 test capsule is similar to the AGC-2 test capsule, material property tests were conducted on graphite specimens prior to loading into the AGC-3 irradiation assembly. However the 6 major nuclear graphite grades in AGC-2 were modified; two previous graphite grades (IG-430 and H-451) were eliminated and one was added (Mersen’s 2114 was added). Specimen testing from three graphite grades (PCEA, 2114, and NBG-17) was conducted at Idaho National Laboratory (INL) and specimen testing for two grades (IG-110 and NBG-18) were conducted at Oak Ridge National Laboratory (ORNL) from May 2011 to July 2013. This report also details the specimen loading methodology for the graphite specimens inside the AGC-3 irradiation capsule. The AGC-3 capsule design requires "matched pair" creep specimens that have similar dose levels above and below the neutron flux profile mid-plane to provide similar specimens with and without an applied load. This document utilized the neutron flux profile calculated for the AGC-3 capsule design, the capsule dimensions, and the size (length) of the selected graphite and silicon carbide samples to create a stacking order that can produce "matched pairs" of graphite samples above and below the AGC-3 capsule elevation mid-point to

  15. Ab initio study of friction of graphene flake on graphene/graphite or SiC surface

    Science.gov (United States)

    Gulseren, Oguz; Tayran, Ceren; Sayin, Ceren Sibel

    Recently, the rich dynamics of graphene flake on graphite or SiC surfaces are revealed from atomic force microcopy experiments. The studies toward to the understanding of microscopic origin of friction are getting a lot of attention. Despite the several studies of these systems using molecular dynamics methods, density functional theory based investigations are limited because of the huge system sizes. In this study, we investigated the frictional force on graphene flake on graphite or SiC surfaces from pseudopotential planewave calculations based on density functional theory. In both cases, graphene flake (24 C) on graphite or SiC surface, bilayer flake is introduced by freezing the top layer as well as the bottom layer of the surface slab. After fixing the load with these frozen layers, we checked the relative motion of the flake over the surface. A minimum energy is reached when the flake is moved on graphene to attain AB stacking. We also conclude that edge reconstruction because of the finite size of the flake is very critical for frictional properties of the flake; therefore the saturation of dangling bonds with hydrogen is also addressed. Not only the symmetric configurations remaining parameter space is extensively studied. Supported by TUBITAK Project No: 114F162. This work is supported by TUBITAK Project No: 114F162.

  16. Reactive Force Field for Liquid Hydrazoic Acid with Applications to Detonation Chemistry

    Science.gov (United States)

    Furman, David; Dubnikova, Faina; van Duin, Adri; Zeiri, Yehuda; Kosloff, Ronnie

    The development of a reactive force field (ReaxFF formalism) for Hydrazoic acid (HN3), a highly sensitive liquid energetic material, is reported. The force field accurately reproduces results of density functional theory (DFT) calculations. The quality and performance of the force field are examined by detailed comparison with DFT calculations related to uni, bi and trimolecular thermal decomposition routes. Reactive molecular dynamics (RMD) simulations are performed to reveal the initial chemical events governing the detonation chemistry of liquid HN3. The outcome of these simulations compares very well with recent results of tight-binding DFT molecular dynamics and thermodynamic calculations. Based on our RMD simulations, predictions were made for the activation energies and volumes in a broad range of temperatures and initial material compressions. Work Supported by The Center of Excellence for Explosives Detection, Mitigation and Response, Department of Homeland Security.

  17. Production of nuclear graphite in France

    International Nuclear Information System (INIS)

    Legendre, P.; Mondet, L.; Arragon, Ph.; Cornuault, P.; Gueron, J.; Hering, H.

    1955-01-01

    The graphite intended for the construction of the reactors is obtained by the usual process: confection of a cake from coke of oil and tar, cooked (in a electric oven) then the product of cook is graphitized, also by electric heating. The use of the air transportation and the control of conditions cooking and graphitization have permitted to increase the nuclear graphite production as well as to better control their physical and mechanical properties and to reduce to the minimum the unwanted stains. (M.B.) [fr

  18. Experimental Study on the Force-Bearing Performance of Masonry Structures with a Marble-Graphite Slide Seismic Isolator at the Foundation

    Directory of Open Access Journals (Sweden)

    Suizi Jia

    2016-11-01

    Full Text Available As part of the search for a seismic isolator for low-rise buildings, this paper proposes a marble-graphite slide seismic isolation system composed of marble-graphite slides, an upper foundation beam, the lower counterpart of the upper beam, and the corresponding stop blocks, with the stop blocks consisting of restrictive screws, positioning plates, nut connectors and stop holes linking the two foundation beams. To provide the desired isolation performance, plain mortar bars can be included at the beam interface to better control the initiating loads for foundation slippage. Tests of low-reversed cyclic loading were performed on four different masonry specimens: a recycled brick wall, a clay brick wall, an integrated recycled brick wall with flay ash blocks sandwiched between, and its clay brick counterpart. The four specimens were provided with marble-graphite slide isolators placed at the foundations. The isolator thickness was 20 mm, and the graphite and the marble served as a lubricant and a bearing, respectively. This paper then analyses all of the specimens in terms of the damage that occurred, the initiating load for slippage, the hysteretic performance, the bearing capacity and the performance of the stop blocks. The results indicate that mortar bars embedded in the marble-graphite slide isolator offer effective control of the initiating load, and the isolation system delivers good hysteretic performance. The stop blocks are capable of withstanding a large-magnitude earthquake and are a good choice for constraining the slippage displacement. Damage or failure of the specimens occurs only when the low-reversed cyclic loading continues after slippage takes place. The design is shown to be an outstanding and flexible seismic scheme for use in low-rise buildings.

  19. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hölzl, Christoph; Horinek, Dominik, E-mail: dominik.horinek@ur.de [Institut für Physikalische und Theoretische Chemie, Universität Regensburg, 93040 Regensburg (Germany); Kibies, Patrick; Frach, Roland; Kast, Stefan M., E-mail: stefan.kast@tu-dortmund.de [Physikalische Chemie III, Technische Universität Dortmund, 44227 Dortmund (Germany); Imoto, Sho, E-mail: sho.imoto@theochem.rub.de; Marx, Dominik [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum (Germany); Suladze, Saba; Winter, Roland [Physikalische Chemie I, Technische Universität Dortmund, 44227 Dortmund (Germany)

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  20. Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures.

    Science.gov (United States)

    Hölzl, Christoph; Kibies, Patrick; Imoto, Sho; Frach, Roland; Suladze, Saba; Winter, Roland; Marx, Dominik; Horinek, Dominik; Kast, Stefan M

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures--while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute's response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  1. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    International Nuclear Information System (INIS)

    Hölzl, Christoph; Horinek, Dominik; Kibies, Patrick; Frach, Roland; Kast, Stefan M.; Imoto, Sho; Marx, Dominik; Suladze, Saba; Winter, Roland

    2016-01-01

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  2. Quantum mechanical force field for water with explicit electronic polarization.

    Science.gov (United States)

    Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

    2013-08-07

    A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across

  3. Photoemission study of K on graphite

    NARCIS (Netherlands)

    Bennich, P.; Puglia, C.; Brühwiler, P.A.; Nilsson, A.; Sandell, A.; Mårtensson, N.; Rudolf, P.

    1999-01-01

    The physical and electronic structure of the dispersed and (2×2) phases of K/graphite have been characterized by valence and core-level photoemission. Charge transfer from K to graphite is found to occur at all coverages, and includes transfer of charge to the second graphite layer. A rigid band

  4. Graphite mixed magnesium borate TL dosemeters for beta ray dosimetry

    DEFF Research Database (Denmark)

    Prokic, M; Christensen, Poul

    1984-01-01

    Sintered MgB4O7:Dy dosemeters with graphite contents from 1 to 10% were investigated for application for personnel dosimetry. Data are given on dose response, dose threshold, reproducibility, beta energy response and fading. Furthermore, results from practical field experiments are presented...

  5. The growth of the concept of forces and fields

    International Nuclear Information System (INIS)

    Mukherji, Visvapriya

    1979-01-01

    The history and development of the concept of forces and fields in nature as was existing since two millenia ago to the ones that are being proposed and modified in the present day schools of field theorists have been traced. The concepts of Aristotle, Galileo, Democritus, Roemer, Newton, etc. which are considered classical in nature are outlined. The modern idea of field theories which owes its origin to the hypothesis propounded by Euler and the later developments by Laplace, Kelvin and Maxwell are described. Finally, Einstein's theory of relativity which projected a very novel interpretation of the gravitational field has also been explained in brief. Some of the hitherto unanswered questions in the field are also posed. (K.B.)

  6. Synthesis of polypropylene/graphite nanocomposites by means of in situ polymerization

    International Nuclear Information System (INIS)

    Montagna, Larissa S.; Basso, Nara R.S.

    2009-01-01

    The nanotechnology presents a large field for research and development of new polymeric materials based in nanocomposites. This work is related to the synthesis of nanocomposites of polypropylene with graphite as filler. The sheets of graphite in nanometer dimensions were made by means of the chemical exfoliation and thermal treatment. The synthesis of the nanocomposites was carried through by means of the in situ polymerization using a metallocene catalyst and with different amounts of inorganic load (0,5; 1 and 2%). The synthesized nanocomposites were characterized by scanning electron microscopy (SEM) and X-Ray diffraction (XRD). (author)

  7. Structural analysis of polycrystalline (graphitized) materials

    International Nuclear Information System (INIS)

    Efremenko, M.M.; Kravchik, A.E.; Osmakov, A.S.

    1993-01-01

    Specific features of the structure of polycrystal carbon materials (CM), characterized by high enough degree of structural perfection and different genesis are analyzed. From the viewpoint of fine and supercrystallite structure analysis of the most characteristic groups of graphitized CM: artificial graphites, and natural graphites, as well, has been carried out. It is ascertained that in paracrystal CM a monolayer of hexagonally-bound carbon atoms is the basic element of the structure, and in graphitized CM - a microlayer. The importance of the evaluation of the degree of three-dimensional ordering of the microlayer is shown

  8. Graphite content and isotopic fractionation between calcite-graphite pairs in metasediments from the Mgama Hills, Southern Kenya

    International Nuclear Information System (INIS)

    Arneth, J.D.; Schidlowski, M.; Sarbas, B.; Goerg, U.; Amstutz, G.C.

    1985-01-01

    Amphibolite-grade metasediments from the Mgama Hills region, Kenya, contain conspicuous quantities of graphite, most probably derived from organic progenitor materials,. The highest graphite contents are found in schists whereas calcite marbles intercalated in the sequence contain relatively low amounts. The graphitic constituents are consistently enriched in 13 C relative to common sedimentary organic material, with the highest isotopic ratios in graphite from the marbles. Carbon isotope fractionations between calcite and graphite mostly vary between 3.3 and 7.1 per mille, which comes close to both empirically recorded and thermodynamically calculated fractionations in the temperature range of the upper amphibolite facies. However, larger values occasionally encountered in the marbles suggest that complete isotopic equilibrium is not always attained in amphibolite-facies metamorphism. (author)

  9. A compact atomic force-scanning tunneling microscope for studying microelectronics and environmental aerosols

    International Nuclear Information System (INIS)

    Chen, G.

    1996-06-01

    This dissertation describes the characteristics and the construction of a compact atomic force/scanning tunneling microscope (AFM/STM). The basics and the method of preparing a tunneling junction between a chemically etched tunneling tip and a micro-manufactured cantilever is outlined by analyzing the forces between tunneling tip and cantilever as well as between force-sensing tip and sample surfaces. To our best knowledge this instrument is the first one using a commercial cantilever with only one piezoelectric tube carrying the whole tunneling sensor. The feedback control system has been optimized after a careful analysis of the electronic loop characteristics. The mode of operation has been determined by analyzing the dynamic characteristics of the scan heads and by investigating the time characteristics of the data acquisition system. The vibration isolation system has been calibrated by analyzing the characteristics of the damping setup and the stiffness of the scan head. The calculated results agree well with the measured ones. Also, a software package for data acquisition and real time display as well as for image processing and three-dimensional visualization has been developed. With this home-made software package, the images can be processed by means of a convolution filter, a Wiener filter and other 2-D FFT filters, and can be displayed in different ways. Atomic resolution images of highly oriented pyrolytic graphite (HOPG) and graphite surfaces have been obtained in AFM and STM mode. New theoretical explanations have been given for the observed anomalous STM and AFM images of graphite by calculating the asymmetric distribution of quantum conductance and tip-surface forces on a graphite surface. This not only resolved the theoretical puzzles of STM and AFM of graphite, but also revealed the relation between atomic force microscopy and scanning tunneling microscopy of graphite. Applications of STM and AFM to micro-electronic devices have been investigated

  10. Calculation of the radiation force on a cylinder in a standing wave acoustic field

    Energy Technology Data Exchange (ETDEWEB)

    Haydock, David [Unilever R and D Colworth, Sharnbrook, Bedford MK44 1LQ (United Kingdom); Department of Physics, Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom)

    2005-04-15

    We present a new calculation of the radiation force on a cylinder in a standing wave acoustic field. We use the formula to calculate the force on a cylinder which is free to move in the field and one which is fixed in space.

  11. Calculation of the radiation force on a cylinder in a standing wave acoustic field

    International Nuclear Information System (INIS)

    Haydock, David

    2005-01-01

    We present a new calculation of the radiation force on a cylinder in a standing wave acoustic field. We use the formula to calculate the force on a cylinder which is free to move in the field and one which is fixed in space

  12. Degradation Mechanisms of Electrochemically Cycled Graphite Anodes in Lithium-ion Cells

    Science.gov (United States)

    Bhattacharya, Sandeep

    This research is aimed at developing advanced characterization methods for studying the surface and subsurface damage in Li-ion battery anodes made of polycrystalline graphite and identifying the degradation mechanisms that cause loss of electrochemical capacity. Understanding microstructural aspects of the graphite electrode degradation mechanisms during charging and discharging of Li-ion batteries is of key importance in order to design durable anodes with high capacity. An in-situ system was constructed using an electrochemical cell with an observation window, a large depth-of-field digital microscope and a micro-Raman spectrometer. It was revealed that electrode damage by removal of the surface graphite fragments of 5-10 mum size is the most intense during the first cycle that led to a drastic capacity drop. Once a solid electrolyte interphase (SEI) layer covered the electrode surface, the rate of graphite particle loss decreased. Yet, a gradual loss of capacity continued by the formation of interlayer cracks adjacent to SEI/graphite interfaces. Deposition of co-intercalation compounds, LiC6, Li2CO3 and Li2O, near the crack tips caused partial closure of propagating graphite cracks during cycling and reduced the crack growth rate. Bridging of crack faces by delaminated graphite layers also retarded crack propagation. The microstructure of the SEI layer, formed by electrochemical reduction of the ethylene carbonate based electrolyte, consisted of ˜5-20 nm sized crystalline domains (containing Li2CO3, Li2O 2 and nano-sized graphite fragments) dispersed in an amorphous matrix. During the SEI formation, two regimes of Li-ion diffusion were identified at the electrode/electrolyte interface depending on the applied voltage scan rate (dV/dt). A low Li-ion diffusion coefficient ( DLi+) at dV/dt microscopic information to the electrochemical performance, novel Li2CO3-coated electrodes were fabricated that were durable. The SEI formed on pre-treated electrodes reduced

  13. Oxidation behavior of IG and NBG nuclear graphites

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Woong-Ki; Kim, Byung-Joo [Jeonju Institute of Machinery and Carbon Composites Palbokdong-2ga, 817, Jeonju, Jeollabuk-do 561-844 (Korea, Republic of); Kim, Eung-Seon; Chi, Se-Hwan [Dept. of Nuclear Hydrogen Project, Korea Atomic Energy Research Institute, Daejeon 305-353 (Korea, Republic of); Park, Soo-Jin, E-mail: sjpark@inha.ac.k [Dept. of Chemistry, Inha Univ., 253, Nam-gu, Incheon 402-751 (Korea, Republic of)

    2011-01-15

    Graphical abstract: Water contact angles on nuclear graphite before and after oxidation treatments: the pictures show the contact angles obtained under deionized water on oxidation-treated and untreated nuclear graphite. The water contact angles are decreased after oxidation due to the increase in the hydrophilic. Display Omitted Research highlights: The average pore size of graphites shows an increase after the oxidation treatments. They also show that oxidation produces the surface functional groups on the graphite surfaces. The surface area of each graphite behaves in a unique manner. - Abstract: This work studies the oxidation-induced characteristics of four nuclear graphites (NBG-17, NBG-25, IG-110, and IG-430). The oxidation characteristics of the nuclear graphites were measured at 600 {sup o}C. The surface properties of the oxidation graphites were characterized by means of scanning electron microscopy, X-ray photoelectron spectroscopy, and contact angle methods. The N{sub 2}/77 K adsorption isotherm characteristics, including the specific surface area and micropore volume, were investigated by means of BET and t-plot methods. The experimental results show an increase in the average pore size of graphites; they also show that oxidation produces the surface functional groups on the graphite surfaces. The surface area of each graphite behaves in a unique manner. For example the surface area of NBG-17 increases slightly whereas the surface area of IG-110 increases significantly. This result confirms that the original surface state of each graphite is unique.

  14. Theoretical analysis of the graphitization of a nanodiamond

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, S Joon; Park, Jae-Gwan [Nano Science and Technology Division, Korea Institute of Science and Technology (KIST), PO Box 131, Cheongryang, Seoul, 130-650 (Korea, Republic of)

    2007-09-26

    We report on a theoretical analysis of the graphitization of a nanosize diamond (nanodiamond) in the metastable state. A nanodiamond annealed at a relatively lower temperature suffers morphological transition into a nanodiamond-graphite core-shell structure. Thermodynamic stability analysis of the nanodiamond showed that the phase diagram (relationship between the annealing temperature and radius) of the nanodiamond-graphite has three regimes: smaller nanodiamond, nanodiamond-graphite, and larger nanodiamond. These regimes of nanodiamond-graphite are due to an additional phase boundary from finding the maximum size of the nanodiamond which can be graphitized. In the theoretical analysis, the most probable and the maximum volume fractions of graphite in the nanodiamond were 0.76 and 0.84 respectively, which were independent of the annealing temperature and the initial radius of the nanodiamond. Therefore, the nanodiamond is not completely transformed into graphite by simple annealing at relatively lower process temperature and pressure. The highest graphitization probability decreased with increasing annealing temperature. Raman spectra for the F{sub 2g} vibration mode of nanodiamond were also calculated, and we found that the variation in properties of the spectral line was strongly dependent on the graphitization temperature and the initial size of the nanodiamond.

  15. Theoretical analysis of the graphitization of a nanodiamond

    International Nuclear Information System (INIS)

    Kwon, S Joon; Park, Jae-Gwan

    2007-01-01

    We report on a theoretical analysis of the graphitization of a nanosize diamond (nanodiamond) in the metastable state. A nanodiamond annealed at a relatively lower temperature suffers morphological transition into a nanodiamond-graphite core-shell structure. Thermodynamic stability analysis of the nanodiamond showed that the phase diagram (relationship between the annealing temperature and radius) of the nanodiamond-graphite has three regimes: smaller nanodiamond, nanodiamond-graphite, and larger nanodiamond. These regimes of nanodiamond-graphite are due to an additional phase boundary from finding the maximum size of the nanodiamond which can be graphitized. In the theoretical analysis, the most probable and the maximum volume fractions of graphite in the nanodiamond were 0.76 and 0.84 respectively, which were independent of the annealing temperature and the initial radius of the nanodiamond. Therefore, the nanodiamond is not completely transformed into graphite by simple annealing at relatively lower process temperature and pressure. The highest graphitization probability decreased with increasing annealing temperature. Raman spectra for the F 2g vibration mode of nanodiamond were also calculated, and we found that the variation in properties of the spectral line was strongly dependent on the graphitization temperature and the initial size of the nanodiamond

  16. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Science.gov (United States)

    Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

    2014-12-01

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  17. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Zhaochuan; Vlugt, Thijs J. H., E-mail: t.j.h.vlugt@tudelft.nl [Process and Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft,The Netherlands (Netherlands); Koster, Rik S.; Fang, Changming; Huis, Marijn A. van [Debye Institute for Nanomaterials Science and Center for Extreme Matter and Emergent Phenomena, Utrecht University, Princetonplein 5, 3584 CC Utrecht (Netherlands); Wang, Shuaiwei [Institute of Nanostructured Functional Materials, Huanghe Science and Technology College, Zhengzhou, Henan 450006 (China); Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W. [Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft (Netherlands)

    2014-12-28

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., “Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth,” Nano Lett. 14, 3661–3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  18. Graphite targets at LAMPF

    International Nuclear Information System (INIS)

    Brown, R.D.; Grisham, D.L.

    1983-01-01

    Rotating polycrystalline and stationary pyrolytic graphite target designs for the LAMPF experimental area are described. Examples of finite element calculations of temperatures and stresses are presented. Some results of a metallographic investigation of irradiated pyrolytic graphite target plates are included, together with a brief description of high temperature bearings for the rotating targets

  19. Study of wear mechanism of chopped fiber reinforced epoxy composite filled with graphite and bronze

    Science.gov (United States)

    Patil, Nitinchand; Prasad, Krishna

    2018-04-01

    The combined effect of graphite and sintered bronze with a short glass fiber reinforced epoxy composites was investigated in this work. A pin on disc wear test was carried out to study the wear behaviour and mechanism of the composites. The objective of this work is to develop an alternate friction resistance material for the application of sliding bearing. It was observed that the addition of sintered bronze improved mechanical and thermal stability of the composites as bronze has low contact resistance with graphite and has high thermal conductivity. It was observed from the test results that increased volume percentage of graphite and presence of bronze are play significant role in wear mechanism of the composites. It was observed from the scanning electronic microscopes (SEM) that the abrasive and adhesive wear mechanism was prominent in this study. It was also evident from the result that the frictional force remains stable irrespective of the applied normal load.

  20. The utilization of a pressurized-graphite/water/oxygen mixture for irradiated graphite incineration

    International Nuclear Information System (INIS)

    Antonini, G.; Perotin, J.P.; Charlot, P.

    1992-01-01

    The authors demonstrate the interest of the utilization of a pressurized-graphite/water/oxygen mixture in the incineration of irradiated graphite. The aqueous phase comes in the form of a three-dimensional system that traps pressurized oxygen, the pulverulent solid being dispersed at the liquid/gas interfaces. These three-phasic formulations give the following advantages: reduction of the apparent viscosity of the mixture in comparison with a solid/liquid mixture at the same solid concentration; reduction of the solid/liquid interactions; self-pulverizability. thus promoting reduction of the flame length utilization of conventional burners; reduction of the flue gas flow rate; complete thermal destruction of graphite. (author)

  1. Effects of Force Field Selection on the Computational Ranking of MOFs for CO2 Separations.

    Science.gov (United States)

    Dokur, Derya; Keskin, Seda

    2018-02-14

    Metal-organic frameworks (MOFs) have been considered as highly promising materials for adsorption-based CO 2 separations. The number of synthesized MOFs has been increasing very rapidly. High-throughput molecular simulations are very useful to screen large numbers of MOFs in order to identify the most promising adsorbents prior to extensive experimental studies. Results of molecular simulations depend on the force field used to define the interactions between gas molecules and MOFs. Choosing the appropriate force field for MOFs is essential to make reliable predictions about the materials' performance. In this work, we performed two sets of molecular simulations using the two widely used generic force fields, Dreiding and UFF, and obtained adsorption data of CO 2 /H 2 , CO 2 /N 2 , and CO 2 /CH 4 mixtures in 100 different MOF structures. Using this adsorption data, several adsorbent evaluation metrics including selectivity, working capacity, sorbent selection parameter, and percent regenerability were computed for each MOF. MOFs were then ranked based on these evaluation metrics, and top performing materials were identified. We then examined the sensitivity of the MOF rankings to the force field type. Our results showed that although there are significant quantitative differences between some adsorbent evaluation metrics computed using different force fields, rankings of the top MOF adsorbents for CO 2 separations are generally similar: 8, 8, and 9 out of the top 10 most selective MOFs were found to be identical in the ranking for CO 2 /H 2 , CO 2 /N 2 , and CO 2 /CH 4 separations using Dreiding and UFF. We finally suggested a force field factor depending on the energy parameters of atoms present in the MOFs to quantify the robustness of the simulation results to the force field selection. This easily computable factor will be highly useful to determine whether the results are sensitive to the force field type or not prior to performing computationally demanding

  2. Uranium Oxide Aerosol Transport in Porous Graphite

    Energy Technology Data Exchange (ETDEWEB)

    Blanchard, Jeremy; Gerlach, David C.; Scheele, Randall D.; Stewart, Mark L.; Reid, Bruce D.; Gauglitz, Phillip A.; Bagaasen, Larry M.; Brown, Charles C.; Iovin, Cristian; Delegard, Calvin H.; Zelenyuk, Alla; Buck, Edgar C.; Riley, Brian J.; Burns, Carolyn A.

    2012-01-23

    The objective of this paper is to investigate the transport of uranium oxide particles that may be present in carbon dioxide (CO2) gas coolant, into the graphite blocks of gas-cooled, graphite moderated reactors. The transport of uranium oxide in the coolant system, and subsequent deposition of this material in the graphite, of such reactors is of interest because it has the potential to influence the application of the Graphite Isotope Ratio Method (GIRM). The GIRM is a technology that has been developed to validate the declared operation of graphite moderated reactors. GIRM exploits isotopic ratio changes that occur in the impurity elements present in the graphite to infer cumulative exposure and hence the reactor’s lifetime cumulative plutonium production. Reference Gesh, et. al., for a more complete discussion on the GIRM technology.

  3. Photon and neutron dose discrimination using low pressure proportional counters with graphite and A150 walls

    International Nuclear Information System (INIS)

    Kylloenen, J.; Lindborg, L.

    2005-01-01

    Full text: The determination of both the low- and high-LET components of ambient dose equivalent in mixed fields is possible with microdosimetric methods. With the multiple-event microdosimetric variance covariance method the sum of those components are directly obtained also in pulsed beams. However, if the value of each dose component is needed a more extended analysis is required. The use of a graphite walled proportional detector in combination with a tissue-equivalent proportional counter in combination with the variance covariance method was here investigated. MCNP simulations were carried out for relevant energies to investigate the photon and neutron responses of the two detectors. The combined graphite and TEPC system, the Sievert instrument, was used for measurements at IRSN, Cadarache, in the workplace calibration fields of CANEL+, SIGMA, a Cf-252 and a moderated Cf(D 2 O,Cd) radiation field. The response of the instrument in various monoenergetic neutron fields is also known from measurements at PTB. The instrument took part in the measurement campaigns in workplace fields in the nuclear industry organized within the EVIDOS contract. The results are analyzed and the method of using a graphite detector compared with alternative methods of analysis is discussed. (author)

  4. Mixed graphite cast iron for automotive exhaust component applications

    Directory of Open Access Journals (Sweden)

    De-lin Li

    2017-11-01

    Full Text Available Both spheroidal graphite iron and compacted graphite iron are used in the automotive industry. A recently proposed mixed graphite iron exhibits a microstructure between the conventional spheroidal graphite iron and compacted graphite iron. Evaluation results clearly indicate the suitability and benefits of mixed graphite iron for exhaust component applications with respect to casting, machining, mechanical, thermophysical, oxidation, and thermal fatigue properties. A new ASTM standard specification (A1095 has been created for compacted, mixed, and spheroidal graphite silicon-molybdenum iron castings. This paper attempts to outline the latest progress in mixed graphite iron published.

  5. A nonlinear eigenvalue problem for self-similar spherical force-free magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Lerche, I. [Institut für Geowissenschaften, Naturwissenschaftliche Fakultät III, Martin-Luther Universität, D-06099 Halle (Germany); Low, B. C. [High Altitude Observatory, National Center for Atmospheric Research, Boulder, Colorado 80307 (United States)

    2014-10-15

    An axisymmetric force-free magnetic field B(r, θ) in spherical coordinates is defined by a function r sin θB{sub φ}=Q(A) relating its azimuthal component to its poloidal flux-function A. The power law r sin θB{sub φ}=aA|A|{sup 1/n}, n a positive constant, admits separable fields with A=(A{sub n}(θ))/(r{sup n}) , posing a nonlinear boundary-value problem for the constant parameter a as an eigenvalue and A{sub n}(θ) as its eigenfunction [B. C. Low and Y. Q Lou, Astrophys. J. 352, 343 (1990)]. A complete analysis is presented of the eigenvalue spectrum for a given n, providing a unified understanding of the eigenfunctions and the physical relationship between the field's degree of multi-polarity and rate of radial decay via the parameter n. These force-free fields, self-similar on spheres of constant r, have basic astrophysical applications. As explicit solutions they have, over the years, served as standard benchmarks for testing 3D numerical codes developed to compute general force-free fields in the solar corona. The study presented includes a set of illustrative multipolar field solutions to address the magnetohydrodynamics (MHD) issues underlying the observation that the solar corona has a statistical preference for negative and positive magnetic helicities in its northern and southern hemispheres, respectively; a hemispherical effect, unchanging as the Sun's global field reverses polarity in successive eleven-year cycles. Generalizing these force-free fields to the separable form B=(H(θ,φ))/(r{sup n+2}) promises field solutions of even richer topological varieties but allowing for φ-dependence greatly complicates the governing equations that have remained intractable. The axisymmetric results obtained are discussed in relation to this generalization and the Parker Magnetostatic Theorem. The axisymmetric solutions are mathematically related to a family of 3D time-dependent ideal MHD solutions for a polytropic fluid of index γ = 4

  6. Carbon-14 in neutron-irradiated graphite for graphite-moderated reactors. Joint research

    Energy Technology Data Exchange (ETDEWEB)

    Fujii, Kimio [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Matsuo, Hideto [Radioactive Waste Management and Nuclear Facility Decommissioning Technology Center, Tokyo (Japan)

    2002-12-01

    The graphite moderated gas cooled reactor operated by the Japan Atomic Power Company was stopped its commercial operation on March 1998, and the decommissioning process has been started. Graphite material is often used as the moderator and the reflector materials in the core of the gas cooled reactor. During the operation, a long life nuclide of {sup 14}C is generated in the graphite by several transmutation reactions. Separation of {sup 14}C isotope and the development of the separation method have been recognized to be critical issues for the decommissioning of the reactor core. To understand the current methodologies for the carbon isotope separation, literature on the subject was surveyed. Also, those on the physical and chemical behavior of {sup 14}C were surveyed. This is because the larger part of the nuclides in the graphite is produced from {sup 14}N by (n,p) reaction, and the location of them in the material tends to be different from those of the other carbon atoms. This report summarizes the result of survey on the open literature about the behavior of {sup 14}C and the separation methods, including the list of the literature on these subjects. (author)

  7. Force fields of charged particles in micro-nanofluidic preconcentration systems

    Science.gov (United States)

    Gong, Lingyan; Ouyang, Wei; Li, Zirui; Han, Jongyoon

    2017-12-01

    Electrokinetic concentration devices based on the ion concentration polarization (ICP) phenomenon have drawn much attention due to their simple setup, high enrichment factor, and easy integration with many subsequent processes, such as separation, reaction, and extraction etc. Despite significant progress in the experimental research, fundamental understanding and detailed modeling of the preconcentration systems is still lacking. The mechanism of the electrokinetic trapping of charged particles is currently limited to the force balance analysis between the electric force and fluid drag force in an over-simplified one-dimensional (1D) model, which misses many signatures of the actual system. This letter studies the particle trapping phenomena that are not explainable in the 1D model through the calculation of the two-dimensional (2D) force fields. The trapping of charged particles is shown to significantly distort the electric field and fluid flow pattern, which in turn leads to the different trapping behaviors of particles of different sizes. The mechanisms behind the protrusions and instability of the focused band, which are important factors determining overall preconcentration efficiency, are revealed through analyzing the rotating fluxes of particles in the vicinity of the ion-selective membrane. The differences in the enrichment factors of differently sized particles are understood through the interplay between the electric force and convective fluid flow. These results provide insights into the electrokinetic concentration effect, which could facilitate the design and optimization of ICP-based preconcentration systems.

  8. A core-monitoring based methodology for predictions of graphite weight loss in AGR moderator bricks

    Energy Technology Data Exchange (ETDEWEB)

    McNally, K., E-mail: kevin.mcnally@hsl.gsi.gov.uk [Health and Safety Laboratory, Harpur Hill, Buxton, Derbyshire SK17 9JN (United Kingdom); Warren, N. [Health and Safety Laboratory, Harpur Hill, Buxton, Derbyshire SK17 9JN (United Kingdom); Fahad, M.; Hall, G.; Marsden, B.J. [Nuclear Graphite Research Group, School of MACE, University of Manchester, Manchester M13 9PL (United Kingdom)

    2017-04-01

    Highlights: • A statistically-based methodology for estimating graphite density is presented. • Graphite shrinkage is accounted for using a finite element model. • Differences in weight loss forecasts were found when compared to the existing model. - Abstract: Physically based models, resolved using the finite element (FE) method are often used to model changes in dimensions and the associated stress fields of graphite moderator bricks within a reactor. These models require inputs that describe the loading conditions (temperature, fluence and weight loss ‘field variables’), and coded relationships describing the behaviour of graphite under these conditions. The weight loss field variables are calculated using a reactor chemistry/physics code FEAT DIFFUSE. In this work the authors consider an alternative data source of weight loss: that from a longitudinal dataset of density measurements made on small samples trepanned from operating reactors during statutory outages. A nonlinear mixed-effect model is presented for modelling the age and depth-related trends in density. A correction that accounts for irradiation-induced dimensional changes (axial and radial shrinkage) is subsequently applied. The authors compare weight loss forecasts made using FEAT DIFFUSE with those based on an alternative statistical model for a layer four moderator brick for the Hinkley Point B, Reactor 3. The authors compare the two approaches for the weight loss distribution through the brick with a particular focus on the interstitial keyway, and for the average (over the volume of the brick) weight loss.

  9. Cesium diffusion in graphite

    International Nuclear Information System (INIS)

    Evans, R.B. III; Davis, W. Jr.; Sutton, A.L. Jr.

    1980-05-01

    Experiments on diffusion of 137 Cs in five types of graphite were performed. The document provides a completion of the report that was started and includes a presentation of all of the diffusion data, previously unpublished. Except for data on mass transfer of 137 Cs in the Hawker-Siddeley graphite, analyses of experimental results were initiated but not completed. The mass transfer process of cesium in HS-1-1 graphite at 600 to 1000 0 C in a helium atmosphere is essentially pure diffusion wherein values of (E/epsilon) and ΔE of the equation D/epsilon = (D/epsilon) 0 exp [-ΔE/RT] are about 4 x 10 -2 cm 2 /s and 30 kcal/mole, respectively

  10. AGC-2 Graphite Preirradiation Data Analysis Report

    Energy Technology Data Exchange (ETDEWEB)

    William Windes; W. David Swank; David Rohrbaugh; Joseph Lord

    2013-08-01

    This report described the specimen loading order and documents all pre-irradiation examination material property measurement data for the graphite specimens contained within the second Advanced Graphite Capsule (AGC-2) irradiation capsule. The AGC-2 capsule is the second in six planned irradiation capsules comprising the Advanced Graphite Creep (AGC) test series. The AGC test series is used to irradiate graphite specimens allowing quantitative data necessary for predicting the irradiation behavior and operating performance of new nuclear graphite grades to be generated which will ascertain the in-service behavior of the graphite for pebble bed and prismatic Very High Temperature Reactor (VHTR) designs. Similar to the AGC-1 specimen pre-irradiation examination report, material property tests were conducted on specimens from 18 nuclear graphite types but on an increased number of specimens (512) prior to loading into the AGC-2 irradiation assembly. All AGC-2 specimen testing was conducted at Idaho National Laboratory (INL) from October 2009 to August 2010. This report also details the specimen loading methodology for the graphite specimens inside the AGC-2 irradiation capsule. The AGC-2 capsule design requires “matched pair” creep specimens that have similar dose levels above and below the neutron flux profile mid-plane to provide similar specimens with and without an applied load. This document utilized the neutron flux profile calculated for the AGC-2 capsule design, the capsule dimensions, and the size (length) of the selected graphite and silicon carbide samples to create a stacking order that can produce “matched pairs” of graphite samples above and below the AGC-2 capsule elevation mid-point to provide specimens with similar neutron dose levels.

  11. Characterization of graphite dust produced by pneumatic lift

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Ke [Guangdong Provincial Key Laboratory of Thermal Management Engineering and Materials, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055, Guangdong (China); Peng, Wei; Liu, Bing [Institute of Nuclear and New Energy Technology of Tsinghua University, Advanced Nuclear Energy Technology Cooperation Innovation Center, The Key Laboratory of Advanced Nuclear Engineering and Safety, Ministry of Education, Beijing 100084 (China); Kang, Feiyu [Guangdong Provincial Key Laboratory of Thermal Management Engineering and Materials, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055, Guangdong (China); Yang, Xiaoyong; Li, Weihua [Institute of Nuclear and New Energy Technology of Tsinghua University, Advanced Nuclear Energy Technology Cooperation Innovation Center, The Key Laboratory of Advanced Nuclear Engineering and Safety, Ministry of Education, Beijing 100084 (China); Yu, Suyuan, E-mail: suyuan@tsinghua.edu.cn [Center for Combustion Energy, The Key Laboratory for Thermal Science and Power Engineering, Ministry of Educations, Tsinghua University, Beijing 100084 (China)

    2016-08-15

    Highlights: • Generation of graphite dust by pneumatic lift. • Determination of morphology and particle size distribution of graphite dust. • The size of graphite dust in this study is compared to AVR and THTR-300 results. • Graphite dust originates from both filler and binder of the matrix graphite. - Abstract: Graphite dust is an important safety concern of high-temperature gas-cooled reactor (HTR). The graphite dust could adsorb fission products, and the radioactive dust is transported by the coolant gas and deposited on the surface of the primary loop. The simulation of coagulation, aggregation, deposition, and resuspension behavior of graphite dust requires parameters such as particle size distribution and particle shape, but currently very limited data on graphite dust is available. The only data we have are from AVR and THTR-300, however, the AVR result is likely to be prejudiced by the oil ingress. In pebble-bed HTR, graphite dust is generally produced by mechanical abrasion, in particular, by the abrasion of graphite pebbles in the lifting pipe of the fuel handling system. Here we demonstrate the generation and characterization of graphite dust that were produced by pneumatic lift. This graphite dust could substitute the real dust in HTR for characterization. The dust, exhibiting a lamellar morphology, showed a number-weighted average particle size of 2.38 μm and a volume-weighted average size of 14.62 μm. These two sizes were larger than the AVR and THTR results. The discrepancy is possibly due to the irradiation effect and prejudice caused by the oil ingress accident. It is also confirmed by the Raman spectrum that both the filler particle and binder contribute to the dust generation.

  12. NMR studies on graphite-methanol system

    International Nuclear Information System (INIS)

    El-Akkad, T.M.

    1977-01-01

    The nuclear magnetic relaxation times for protons of methanol on graphite have been studied. The perpendicular and the transversal magnetization as a function of temperature were measured. The results show that the presence of graphite slowed down the methanol movement compared with that in the pure alcohol, and that the methanol molecules are attached to the graphite surface via methyl groups. (author)

  13. Mixed graphite cast iron for automotive exhaust component applications

    OpenAIRE

    De-lin Li

    2017-01-01

    Both spheroidal graphite iron and compacted graphite iron are used in the automotive industry. A recently proposed mixed graphite iron exhibits a microstructure between the conventional spheroidal graphite iron and compacted graphite iron. Evaluation results clearly indicate the suitability and benefits of mixed graphite iron for exhaust component applications with respect to casting, machining, mechanical, thermophysical, oxidation, and thermal fatigue properties. A new ASTM standard speci...

  14. Graphite edge controlled registration of monolayer MoS{sub 2} crystal orientation

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Chun-I; Butler, Christopher John; Yang, Hung-Hsiang; Chu, Yu-Hsun; Luo, Chi-Hung; Sun, Yung-Che; Hsu, Shih-Hao; Yang, Kui-Hong Ou [Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China); Huang, Jing-Kai; Hsing, Cheng-Rong; Wei, Ching-Ming, E-mail: cmw@phys.sinica.edu.tw; Li, Lain-Jong, E-mail: lanceli@gate.sinica.edu.tw [Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan (China); Lin, Minn-Tsong, E-mail: mtlin@phys.ntu.edu.tw [Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan (China)

    2015-05-04

    Transition metal dichalcogenides such as the semiconductor MoS{sub 2} are a class of two-dimensional crystals. The surface morphology and quality of MoS{sub 2} grown by chemical vapor deposition are examined using atomic force and scanning tunneling microscopy techniques. By analyzing the moiré patterns from several triangular MoS{sub 2} islands, we find that there exist at least five different superstructures and that the relative rotational angles between the MoS{sub 2} adlayer and graphite substrate lattices are typically less than 3°. We conclude that since MoS{sub 2} grows at graphite step-edges, it is the edge structure which controls the orientation of the islands, with those growing from zig-zag (or armchair) edges tending to orient with one lattice vector parallel (perpendicular) to the step-edge.

  15. Self-consistent Optomechanical Dynamics and Radiation Forces in Thermal Light Fields

    International Nuclear Information System (INIS)

    Sonnleitner, M.

    2014-01-01

    We discuss two different aspects of the mechanical interaction between neutral matter and electromagnetic radiation.The first part addresses the complex dynamics of an elastic dielectric deformed by optical forces. To do so we use a one-dimensional model describing the medium by an array of beam splitters such that the interaction with the incident waves can be described with a transfer-matrix approach. Since the force on each individual beam splitter is known we thus obtain the correct volumetric force density inside the medium. Sending a light field through an initially homogeneous dielectric then results in density modulations which in turn alter the optical properties of this medium.The second part is concerned with mechanical light-effects on atoms in thermal radiation fields. At hand of a generic setup of an atom interacting with a hot sphere emitting blackbody radiation we show that the emerging gradient force may surpass gravity by several orders of magnitude. The strength of the repulsive scattering force strongly depends on the spectrum of the involved atoms and can be neglected in some setups. A special emphasis lies on possible implications on astrophysical scenarios where the interactions between heated dust and atoms, molecules or nanoparticles are of crucial interest. (author) [de

  16. Graphite crystals grown within electromagnetically levitated metallic droplets

    International Nuclear Information System (INIS)

    Amini, Shaahin; Kalaantari, Haamun; Mojgani, Sasan; Abbaschian, Reza

    2012-01-01

    Various graphite morphologies were observed to grow within the electromagnetically levitated nickel–carbon melts, including primary flakes and spheres, curved surface graphite and eutectic flakes, as well as engulfed and entrapped particles. As the supersaturated metallic solutions were cooled within the electromagnetic (EM) levitation coil, the primary graphite flakes and spheres formed and accumulated near the periphery of the droplet due to EM circulation. The primary graphite islands, moreover, nucleated and grew on the droplet surface which eventually formed a macroscopic curved graphite crystal covering the entire liquid. Upon further cooling, the liquid surrounding the primary graphite went under a coupled eutectic reaction while the liquid in the center formed a divorced eutectic due to EM mixing. This brought about the formation of graphite fine flakes and agglomerated particles close to the surface and in the center of the droplet, respectively. The graphite morphologies, growth mechanisms, defects, irregularities and growth instabilities were interpreted with detailed optical and scanning electron microscopies.

  17. Raman characterization of bulk ferromagnetic nanostructured graphite

    International Nuclear Information System (INIS)

    Pardo, Helena; Divine Khan, Ngwashi; Faccio, Ricardo; Araújo-Moreira, F.M.; Fernández-Werner, Luciana

    2012-01-01

    Raman spectroscopy was used to characterize bulk ferromagnetic graphite samples prepared by controlled oxidation of commercial pristine graphite powder. The G:D band intensity ratio, the shape and position of the 2D band and the presence of a band around 2950 cm -1 showed a high degree of disorder in the modified graphite sample, with a significant presence of exposed edges of graphitic planes as well as a high degree of attached hydrogen atoms.

  18. Fabrication of Graphene by Cleaving Graphite Chemically

    Institute of Scientific and Technical Information of China (English)

    ZHAO Shu-hua; ZHAO Xiao-ting; FAN Hou-gang; YANG Li-li; ZHANG Yong-jun; YANG Jing-hai

    2011-01-01

    Graphite was chemically cleaved to graphene by Billups Reaction,and the morphologies and microstructures of graphene were characterized by SEM,Raman and AFM.The results show that the graphite was first functionalized by l-iodododecane,which led to the cleavage of the graphene layer in the graphite.The second decoration cleaved the graphite further and graphene was obtained.The heights of the graphene layer were larger than 1 nm due to the organic decoration.

  19. Force-field parameters of the Psi and Phi around glycosidic bonds to oxygen and sulfur atoms.

    Science.gov (United States)

    Saito, Minoru; Okazaki, Isao

    2009-12-01

    The Psi and Phi torsion angles around glycosidic bonds in a glycoside chain are the most important determinants of the conformation of a glycoside chain. We determined force-field parameters for Psi and Phi torsion angles around a glycosidic bond bridged by a sulfur atom, as well as a bond bridged by an oxygen atom as a preparation for the next study, i.e., molecular dynamics free energy calculations for protein-sugar and protein-inhibitor complexes. First, we extracted the Psi or Phi torsion energy component from a quantum mechanics (QM) total energy by subtracting all the molecular mechanics (MM) force-field components except for the Psi or Phi torsion angle. The Psi and Phi energy components extracted (hereafter called "the remaining energy components") were calculated for simple sugar models and plotted as functions of the Psi and Phi angles. The remaining energy component curves of Psi and Phi were well represented by the torsion force-field functions consisting of four and three cosine functions, respectively. To confirm the reliability of the force-field parameters and to confirm its compatibility with other force-fields, we calculated adiabatic potential curves as functions of Psi and Phi for the model glycosides by adopting the Psi and Phi force-field parameters obtained and by energetically optimizing other degrees of freedom. The MM potential energy curves obtained for Psi and Phi well represented the QM adiabatic curves and also these curves' differences with regard to the glycosidic oxygen and sulfur atoms. Our Psi and Phi force-fields of glycosidic oxygen gave MM potential energy curves that more closely represented the respective QM curves than did those of the recently developed GLYCAM force-field. (c) 2009 Wiley Periodicals, Inc.

  20. Morphological changes of porphine films on graphite by perchloric and phosphoric electrolytes. An electrochemical-AFM study

    Science.gov (United States)

    Yivlialin, Rossella; Penconi, Marta; Bussetti, Gianlorenzo; Biroli, Alessio Orbelli; Finazzi, Marco; Duò, Lamberto; Bossi, Alberto

    2018-06-01

    Organic molecules have been proposed as promising candidates for electrode protection in acidic electrolytes. The use of tetraphenyl-porphines (H2TPP) as graphite surface-protecting agents in sulphuric acid (H2SO4) is one of the newest. With the aim of unveiling the mechanism of such a protective effect, in this paper we test the stability of a H2TPP thin film immersed in perchloric and phosphoric acid solutions that differently interact with porphyrins. The protective role of H2TPP is tested in the electrochemical potential range where the pristine graphite undergoes an oxidation process that erodes the surface and eventually exfoliate the stratified crystal. The electrochemical analysis is performed in a three-electrode cell, while the surface morphology is monitored ex-situ and in-situ by atomic force microscopy. Electrospray mass analysis is also employed to investigate the presence of H2TPP fragments in the solution. We find that the organic film is not stable in perchloric solution, while it is stable and avoids graphite surface corrosion in phosphoric acid solution. These results provide a rationale for the role played by free-base porphines in graphite protection.

  1. High temperature soldering of graphite

    International Nuclear Information System (INIS)

    Anikin, L.T.; Kravetskij, G.A.; Dergunova, V.S.

    1977-01-01

    The effect is studied of the brazing temperature on the strength of the brazed joint of graphite materials. In one case, iron and nickel are used as solder, and in another, molybdenum. The contact heating of the iron and nickel with the graphite has been studied in the temperature range of 1400-2400 ged C, and molybdenum, 2200-2600 deg C. The quality of the joints has been judged by the tensile strength at temperatures of 2500-2800 deg C and by the microstructure. An investigation into the kinetics of carbon dissolution in molten iron has shown that the failure of the graphite in contact with the iron melt is due to the incorporation of iron atoms in the interbase planes. The strength of a joint formed with the participation of the vapour-gas phase is 2.5 times higher than that of a joint obtained by graphite recrystallization through the carbon-containing metal melt. The critical temperatures are determined of graphite brazing with nickel, iron, and molybdenum interlayers, which sharply increase the strength of the brazed joint as a result of the formation of a vapour-gas phase and deposition of fine-crystal carbon

  2. Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics

    Science.gov (United States)

    Yin, Jian; Fenley, Andrew T.; Henriksen, Niel M.; Gilson, Michael K.

    2015-01-01

    Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligand affinity data into force field parametrization, but this would be inefficient and costly. We now demonstrate that sensitivity analysis can be used to efficiently tune Lennard-Jones parameters of aqueous host-guest systems for increasingly accurate calculations of binding enthalpy. These results highlight the promise of a comprehensive use of calorimetric host-guest binding data, along with existing validation data sets, to improve force field parameters for the simulation of noncovalent binding, with the ultimate goal of making protein-ligand modeling more accurate and hence speeding drug discovery. PMID:26181208

  3. Method of manufacturing a graphite coated fuel can

    International Nuclear Information System (INIS)

    Saito, Koichi; Uchida, Shunsuke.

    1984-01-01

    Purpose: To improve the close bondability and homogeneity of a graphite coating formed at the inner surface of a fuel can. Method: A coating containing graphite dispersed in a volatile organic solvent is used and a graphite coating is formed to the inner surface of a fuel can by way of a plunger method. After applying graphite coating, an inert gas is caused to flow at a certain flow rate to the inside of the fuel can horizontally rotaged so that gassification and evaporation of the volatile organic solvent contained in the graphite coating may be promoted. Since drying of the graphite coating coated to the inner surface of the fuel can thus be controlled, a graphite coating with satisfactory close bondability and homogeneity can be formed. (Kawakami, Y.)

  4. GRAPHITIZATION OF METASEDIMENTARY ROCKS IN THE WESTERN KONYA

    Directory of Open Access Journals (Sweden)

    Hüseyin KURT

    2000-01-01

    Full Text Available The Paleozoic-Mesozoic metasedimentary rocks in the study area are metacarbonate, metachert, metapelite, metasandstone and metaconglomerate. Graphite layers are 1cm to 2m thick, extend laterally for tens of meters and are intercalated with metasedimentary rocks. Generally, the graphite is black in color, with a well developed cleavage which is concordant with the cleavage of the host rocks. In addition, the crystal and flake graphites formed in metasedimentary rocks are mostly aligned parallel to the cleavage planes. These metamorphic rocks are subjected to shearing and granulation providing structural control for the development of graphite. It was probably this phenomenon that first led to emphasize the relationship between graphite and metasedimentary rocks. Graphite mineralization has been controlled by bedding, microfractures and granulations. Briefly, the metamorphism has converted carbonaceous matter into graphite .

  5. Methane generated from graphite--tritium interaction

    International Nuclear Information System (INIS)

    Coffin, D.O.; Walthers, C.R.

    1979-01-01

    When hydrogen isotopes are separated by cryogenic distillation, as little as 1 ppM of methane will eventually plug the still as frost accumulates on the column packings. Elemental carbon exposed to tritium generates methane spontaneously, and yet some dry transfer pumps, otherwise compatible with tritium, convey the gas with graphite rotors. This study was to determine the methane production rate for graphite in tritium. A pump manufacturer supplied graphite samples that we exposed to tritium gas at 0.8 atm. After 137 days we measured a methane synthesis rate of 6 ng/h per cm 2 of graphite exposed. At this rate methane might grow to a concentration of 0.01 ppM when pure tritium is transferred once through a typical graphite--rotor transfer pump. Such a low methane level will not cause column blockage, even if the cryogenic still is operated continuously for many years

  6. Channel uranium-graphite reactor mounting

    International Nuclear Information System (INIS)

    Polushkin, K.K.; Kuznetsov, A.G.; Zheleznyakov, B.N.

    1981-01-01

    According to theoretical principles of general engineering technology the engineering experience of construction-mounting works at the NPP with channel uranium-graphite reactors is systematized. Main parameters and structural features of the 1000 MW channel uranium-graphite reactors are considered. The succession of mounting operations, premounting equipment and pipelines preparation and mounting works technique are described. The most efficient methods of fitting, welding and machining of reactor elements are recommended. Main problems of technical control service are discussed. A typical netted diagram of main equipment of channel uranium-graphite reactors mounting is given

  7. Monovacancy paramagnetism in neutron-irradiated graphite probed by 13C NMR.

    Science.gov (United States)

    Zhang, Z T; Xu, C; Dmytriieva, D; Molatta, S; Wosnitza, J; Wang, Y T; Helm, M; Zhou, Shengqiang; Kühne, H

    2017-10-20

    We report on the magnetic properties of monovacancy defects in neutron-irradiated graphite, probed by 13 C nuclear magnetic resonance spectroscopy. The bulk paramagnetism of the defect moments is revealed by the temperature dependence of the NMR frequency shift and spectral linewidth, both of which follow a Curie behavior, in agreement with measurements of the macroscopic magnetization. Compared to pristine graphite, the fluctuating hyperfine fields generated by the defect moments lead to an enhancement of the 13 C nuclear spin-lattice relaxation rate [Formula: see text] by about two orders of magnitude. With an applied magnetic field of 7.1 T, the temperature dependence of [Formula: see text] below about 10 K can well be described by a thermally activated form, [Formula: see text], yielding a singular Zeeman energy of ([Formula: see text]) meV, in excellent agreement with the sole presence of polarized, non-interacting defect moments.

  8. Pyrolytic graphite gauge for measuring heat flux

    Science.gov (United States)

    Bunker, Robert C. (Inventor); Ewing, Mark E. (Inventor); Shipley, John L. (Inventor)

    2002-01-01

    A gauge for measuring heat flux, especially heat flux encountered in a high temperature environment, is provided. The gauge includes at least one thermocouple and an anisotropic pyrolytic graphite body that covers at least part of, and optionally encases the thermocouple. Heat flux is incident on the anisotropic pyrolytic graphite body by arranging the gauge so that the gauge surface on which convective and radiative fluxes are incident is perpendicular to the basal planes of the pyrolytic graphite. The conductivity of the pyrolytic graphite permits energy, transferred into the pyrolytic graphite body in the form of heat flux on the incident (or facing) surface, to be quickly distributed through the entire pyrolytic graphite body, resulting in small substantially instantaneous temperature gradients. Temperature changes to the body can thereby be measured by the thermocouple, and reduced to quantify the heat flux incident to the body.

  9. Graphite nanoreinforcements in polymer nanocomposites

    Science.gov (United States)

    Fukushima, Hiroyuki

    Nanocomposites composed of polymer matrices with clay reinforcements of less than 100 nm in size, are being considered for applications such as interior and exterior accessories for automobiles, structural components for portable electronic devices, and films for food packaging. While most nanocomposite research has focused on exfoliated clay platelets, the same nanoreinforcement concept can be applied to another layered material, graphite, to produce nanoplatelets and nanocomposites. Graphite is the stiffest material found in nature (Young's Modulus = 1060 GPa), having a modulus several times that of clay, but also with excellent electrical and thermal conductivity. The key to utilizing graphite as a platelet nanoreinforcement is in the ability to exfoliate this material. Also, if the appropriate surface treatment can be found for graphite, its exfoliation and dispersion in a polymer matrix will result in a composite with not only excellent mechanical properties but electrical properties as well, opening up many new structural applications as well as non-structural ones where electromagnetic shielding and high thermal conductivity are requirements. In this research, a new process to fabricate exfoliated nano-scale graphite platelets was established (Patent pending). The size of the resulted graphite platelets was less than 1 um in diameter and 10 nm in thickness, and the surface area of the material was around 100 m2/g. The reduction of size showed positive effect on mechanical properties of composites because of the increased edge area and more functional groups attached with it. Also various surface treatment techniques were applied to the graphite nanoplatelets to improve the surface condition. As a result, acrylamide grafting treatment was found to enhance the dispersion and adhesion of graphite flakes in epoxy matrices. The resulted composites showed better mechanical properties than those with commercially available carbon fibers, vapor grown carbon fibers

  10. Characterisation of Chlorine Behavior in French Graphite

    International Nuclear Information System (INIS)

    Blondel, A.; Moncoffre, N.; Toulhoat, N.; Bererd, N.; Petit, L.; Laurent, G.; Lamouroux, C.

    2016-01-01

    Chlorine 36 is one of the main radionuclides of concern for French graphite waste disposal. In order to help the understanding of its leaching behaviour under disposal conditions, the respective impact of temperature, irradiation and gas radiolysis on chlorine release in reactor has been studied. Chlorine 36 has been simulated through chlorine 37 ion implantation in virgin nuclear graphite samples. Results show that part of chlorine is highly mobile in graphite in the range of French reactors operating temperatures in relation with graphite structural recovering. Ballistic damage generated by irradiation also promotes chlorine release whereas no clear impact of the coolant gas radiolysis was observed in the absence of graphite radiolytic corrosion. (author)

  11. Chemical sputtering of graphite by H+ ions

    International Nuclear Information System (INIS)

    Busharov, N.P.; Gorbatov, E.A.; Gusev, V.M.; Guseva, M.I.; Martynenko, Y.V.

    1976-01-01

    In a study of the sputtering coefficient S for the sputtering of graphite by 10-keV H + ions as a function of the graphite temperature during the bombardment, it is found that at T> or =750degreeC the coefficient S is independent of the target temperature and has an anomalously high value, S=0.085 atom/ion. The high rate of sputtering of graphite by atomic hydrogen ions is shown to be due to chemical sputtering of the graphite, resulting primarily in the formation of CH 4 molecules. At T=1100degreeC, S falls off by a factor of about 3. A model for the chemical sputtering of graphite is proposed

  12. Electric field and dielectrophoretic force on a dielectric particle chain in a parallel-plate electrode system

    International Nuclear Information System (INIS)

    Techaumnat, B; Eua-arporn, B; Takuma, T

    2004-01-01

    This paper presents results of calculations of the electric field and dielectrophoretic force on a dielectric particle chain suspended in a host liquid lying between parallel-plate electrodes. The method of calculation is based on the method of multipole images using the multipole re-expansion technique. We have investigated the effect of the particle permittivity, the tilt angle (between the chain and the applied field) and the chain arrangement on the electric field and force. The results show that the electric field intensification rises in accordance with the increase in the ratio of the particle-to-liquid permittivity, Γ ε . The electric field at the contact point between the particles decreases with increasing tilt angle, while the maximal field at the contact point between the particles and the plate electrodes is almost unchanged. The maximal field can be approximated by a simple formula, which is a quadratic function of Γ ε . The dielectrophoretic force depends significantly on the distance from other particles or an electrode. However, for the tilt angles in this paper, the horizontal force on the upper particle of the chain always has the direction opposite to the shear direction. The maximal horizontal force of a chain varies proportional to (Γ ε - 1) 1.7 if the particles in the chain are still in contact with each other. The approximated force, based on the force on an isolated chain, has been compared with our calculation results. The comparison shows that no approximation model agrees well with our results throughout the range of permittivity ratios

  13. Experiments on graphite block gaps connected with leak flow in bottom-core structure of experimental very high-temperature gas-cooled reactor

    International Nuclear Information System (INIS)

    Kikuchi, Kenji; Futakawa, Masatoshi; Takizuka, Takakazu; Kaburaki, Hideo; Sanokawa, Konomo

    1984-01-01

    In order to minimize the leak flow rate of an experimental VHTR (a multi-purpose very high-temperature gas-cooled reactor), the graphite blocks are tightened to reduce the gap distance between blocks by core restrainers surrounded outside of the fixed reflectors of the bottom-core structure and seal elements are placed in the gaps. By using a 1/2.75-scale model of the bottom-core structure, the experiments on the following items have been carried out: a relationship between core restraint force and block gap, a relationship between core restraint force and inclined angle of the model, leak flow characteristics of seal elements etc. The conclusions derived from the experiments are as follows: (1) Core restraint force is significantly effective for decreasing the gap distance between hot plenum blocks, but ineffective for the gap between hot plenum block and fixed reflector. (2) Graphite seal element reduces the leak flow rate from the top surface of hot plenum block into plenum region to one-third. (author)

  14. A 2-D nucleation-growth model of spheroidal graphite

    International Nuclear Information System (INIS)

    Lacaze, Jacques; Bourdie, Jacques; Castro-Román, Manuel Jesus

    2017-01-01

    Analysis of recent experimental investigations, in particular by transmission electron microscopy, suggests spheroidal graphite grows by 2-D nucleation of new graphite layers at the outer surface of the nodules. These layers spread over the surface along the prismatic direction of graphite which is the energetically preferred growth direction of graphite when the apparent growth direction of the nodules is along the basal direction of graphite. 2-D nucleation-growth models first developed for precipitation of pure substances are then adapted to graphite growth from the liquid in spheroidal graphite cast irons. Lateral extension of the new graphite layers is controlled by carbon diffusion in the liquid. This allows describing quantitatively previous experimental results giving strong support to this approach.

  15. DNA Origami Reorganizes upon Interaction with Graphite: Implications for High-Resolution DNA Directed Protein Patterning

    Directory of Open Access Journals (Sweden)

    Masudur Rahman

    2016-10-01

    Full Text Available Although there is a long history of the study of the interaction of DNA with carbon surfaces, limited information exists regarding the interaction of complex DNA-based nanostructures with the important material graphite, which is closely related to graphene. In view of the capacity of DNA to direct the assembly of proteins and optical and electronic nanoparticles, the potential for combining DNA-based materials with graphite, which is an ultra-flat, conductive carbon substrate, requires evaluation. A series of imaging studies utilizing Atomic Force Microscopy has been applied in order to provide a unified picture of this important interaction of structured DNA and graphite. For the test structure examined, we observe a rapid destabilization of the complex DNA origami structure, consistent with a strong interaction of single-stranded DNA with the carbon surface. This destabilizing interaction can be obscured by an intentional or unintentional primary intervening layer of single-stranded DNA. Because the interaction of origami with graphite is not completely dissociative, and because the frustrated, expanded structure is relatively stable over time in solution, it is demonstrated that organized structures of pairs of the model protein streptavidin can be produced on carbon surfaces using DNA origami as the directing material.

  16. DNA Origami Reorganizes upon Interaction with Graphite: Implications for High-Resolution DNA Directed Protein Patterning

    Science.gov (United States)

    Rahman, Masudur; Neff, David; Green, Nathaniel; Norton, Michael L.

    2016-01-01

    Although there is a long history of the study of the interaction of DNA with carbon surfaces, limited information exists regarding the interaction of complex DNA-based nanostructures with the important material graphite, which is closely related to graphene. In view of the capacity of DNA to direct the assembly of proteins and optical and electronic nanoparticles, the potential for combining DNA-based materials with graphite, which is an ultra-flat, conductive carbon substrate, requires evaluation. A series of imaging studies utilizing Atomic Force Microscopy has been applied in order to provide a unified picture of this important interaction of structured DNA and graphite. For the test structure examined, we observe a rapid destabilization of the complex DNA origami structure, consistent with a strong interaction of single-stranded DNA with the carbon surface. This destabilizing interaction can be obscured by an intentional or unintentional primary intervening layer of single-stranded DNA. Because the interaction of origami with graphite is not completely dissociative, and because the frustrated, expanded structure is relatively stable over time in solution, it is demonstrated that organized structures of pairs of the model protein streptavidin can be produced on carbon surfaces using DNA origami as the directing material. PMID:28335324

  17. Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

    Science.gov (United States)

    Jaffe, Richard; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

  18. ATK-ForceField: a new generation molecular dynamics software package

    Science.gov (United States)

    Schneider, Julian; Hamaekers, Jan; Chill, Samuel T.; Smidstrup, Søren; Bulin, Johannes; Thesen, Ralph; Blom, Anders; Stokbro, Kurt

    2017-12-01

    ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python programming environment that makes it easy to create and analyze both standard and highly customized simulations. This paper will focus on the atomic interaction potentials, molecular dynamics, and geometry optimization features of the software, however, many more advanced modeling features are available. The implementation details of these algorithms and their computational performance will be shown. We present three illustrative examples of the types of calculations that are possible with ATK-ForceField: modeling thermal transport properties in a silicon germanium crystal, vapor deposition of selenium molecules on a selenium surface, and a simulation of creep in a copper polycrystal.

  19. Irradiation-induced amorphization process in graphite

    Energy Technology Data Exchange (ETDEWEB)

    Abe, Hiroaki [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

    1996-04-01

    Effects of the element process of irradiation damage on irradiation-induced amorphization processes of graphite was studied. High orientation thermal decomposed graphite was cut about 100 nm width and used as samples. The irradiation experiments are carried out under the conditions of electronic energy of 100-400 KeV, ion energy of 200-600 KeV, ionic species Xe, Ar, Ne, C and He and the irradiation temperature at from room temperature to 900 K. The critical dose ({phi}a) increases exponentially with increasing irradiation temperature. The displacement threshold energy of graphite on c-axis direction was 27 eV and {phi}a{sup e} = 0.5 dpa. dpa is the average number of displacement to atom. The critical dose of ion irradiation ({phi}a{sup i}) was 0.2 dpa at room temperature, and amorphous graphite was produced by less than half of dose of electronic irradiation. Amorphization of graphite depending upon temperature is discussed. (S.Y.)

  20. Actinides in irradiated graphite of RBMK-1500 reactor

    Energy Technology Data Exchange (ETDEWEB)

    Plukienė, R., E-mail: rita@ar.fi.lt; Plukis, A.; Barkauskas, V.; Gudelis, A.; Gvozdaitė, R.; Duškesas, G.; Remeikis, V.

    2014-10-01

    Highlights: • Activation of actinides in the graphite of the RBMK-1500 reactor was analyzed. • Numerical modeling using SCALE 6.1 and MCNPX was used for actinide calculation. • Measurements of the irradiated graphite sample were used for model validation. • Results are important for further decommissioning process of the RBMK type reactors. - Abstract: The activation of graphite in the nuclear power plants is the problem of high importance related with later graphite reprocessing or disposal. The activation of actinide impurities in graphite due to their toxicity determines a particular long term risk to waste management. In this work the activation of actinides in the graphite constructions of the RBMK-1500 reactor is determined by nuclear spectrometry measurements of the irradiated graphite sample from the Ignalina NPP Unit I and by means of numerical modeling using two independent codes SCALE 6.1 (using TRITON-VI sequence) and MCNPX (v2.7 with CINDER). Both models take into account the 3D RBMK-1500 reactor core fragment with explicit graphite construction including a stack and a sleeve but with a different simplification level concerning surrounding graphite and construction of control roads. The verification of the model has been performed by comparing calculated and measured isotope ratios of actinides. Also good prediction capabilities of the actinide activation in the irradiated graphite have been found for both calculation approaches. The initial U impurity concentration in the graphite model has been adjusted taking into account the experimental results. The specific activities of actinides in the irradiated RBMK-1500 graphite constructions have been obtained and differences between numerical simulation results, different structural parts (sleeve and stack) as well as comparison with previous results (Ancius et al., 2005) have been discussed. The obtained results are important for further decommissioning process of the Ignalina NPP and other RBMK

  1. Influence of Particle Size on Properties of Expanded Graphite

    Directory of Open Access Journals (Sweden)

    Kurajica, S

    2010-02-01

    Full Text Available Expanded graphite has been applied widely in thermal insulation, adsorption, vibration damping, gasketing, electromagnetic interference shielding etc. It is made by intercalation of natural flake graphite followed by thermal expansion. Intercalation is a process whereby an intercalant material is inserted between the graphene layers of a graphite crystal. Exfoliation, a huge unidirectional expansion of the starting intercalated flakes, occurs when the graphene layers are forced apart by the sudden decomposition and vaporization of the intercalated species by thermal shock. Along with production methodologies, such as the intercalation process and heat treatment, the raw material characteristics, especially particle size, strongly influence the properties of the final product.This report evaluates the influence of the particle size of the raw material on the intercalation and expansion processes and consequently the properties of the exfoliated graphite. Natural crystalline flake graphite with wide particle diameter distribution (between dp = 80 and 425 µm was divided into four size-range portions by sieving. Graphite was intercalated via perchloric acid, glacial acetic acid and potassium dichromate oxidation and intercalation procedure. 5.0 g of graphite, 7.0 g of perchloric acid, 4.0 g of glacial acetic acid and 2.0 g of potassium dichromate were placed in glass reactor. The mixture was stirred with n = 200 min–1 at temperature of 45 °C during 60 min. Then it was filtered and washed with distilled water until pH~6 and dried at 60 °C during 24 h. Expansion was accomplished by thermal shock at 1000 °C for 1 min. The prepared samples were characterized by means of exfoliation volume measurements, simultaneous differential thermal analysis and thermo-gravimetry (DTA/TGA, X-ray diffraction (XRD, Fourier transform infrared spectroscopy (FTIR, BET measurements and scanning electron microscopy (SEM.X-ray diffraction indicated a change of distance

  2. Structural features of the adsorption layer of pentacene on the graphite surface and the PMMA/graphite hybrid surface

    Science.gov (United States)

    Fadeeva, A. I.; Gorbunov, V. A.; Litunenko, T. A.

    2017-08-01

    Using the molecular dynamics and the Monte Carlo methods, we have studied the structural features and growth mechanism of the pentacene film on graphite and polymethylmethacrylate /graphite surfaces. Monolayer capacity and molecular area, optimal angles between the pentacene molecules and graphite and PMMA/graphite surfaces as well as the characteristic angles between the neighboring pentacene molecules in the adsorption layer were estimated. It is shown that the orientation of the pentacene molecules in the film is determined by a number of factors, including the surface concentration of the molecules, relief of the surface, presence or absence of the polymer layer and its thickness. The pentacene molecules adsorbed on the graphite surface keep a horizontal position relative to the long axis at any surface coverage/thickness of the film. In the presence of the PMMA layer on the graphite, the increase of the number of pentacene molecules as well as the thickness of the PMMA layer induce the change of molecular orientation from predominantly horizontal to vertical one. The reason for such behavior is supposed to be the roughness of the PMMA surface.

  3. On the absorbing force of magnetic fields acting on magnetic particle under magnetic particle examination

    International Nuclear Information System (INIS)

    Maeda, N.

    1988-01-01

    During the magnetic particle examination, magnetic particles near defects are deposited by an absorbing force of magnetic fields acting on the magnetic particles. Therefore, a quantitative determination of this absorbing force is a theoretical and experimental basis for solving various problems associated with magnetic particle examinations. The absorbing force is formulated based on a magnetic dipole model, and a measuring method of the absorbing force using magnetic fields formed around linear current is proposed. Measurements according to this method produced appropriate results, verifying the validation of the concept and the measuring method

  4. Relationship of scattering phase shifts to special radiation force conditions for spheres in axisymmetric wave-fields.

    Science.gov (United States)

    Marston, Philip L; Zhang, Likun

    2017-05-01

    When investigating the radiation forces on spheres in complicated wave-fields, the interpretation of analytical results can be simplified by retaining the s-function notation and associated phase shifts imported into acoustics from quantum scattering theory. For situations in which dissipation is negligible, as taken to be the case in the present investigation, there is an additional simplification in that partial-wave phase shifts become real numbers that vanish when the partial-wave index becomes large and when the wave-number-sphere-radius product vanishes. By restricting attention to monopole and dipole phase shifts, transitions in the axial radiation force for axisymmetric wave-fields are found to be related to wave-field parameters for traveling and standing Bessel wave-fields by considering the ratio of the phase shifts. For traveling waves, the special force conditions concern negative forces while for standing waves, the special force conditions concern vanishing radiation forces. An intermediate step involves considering the functional dependence on phase shifts. An appendix gives an approximation for zero-force plane standing wave conditions. Connections with early investigations of acoustic levitation are mentioned and some complications associated with viscosity are briefly noted.

  5. Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing.

    Science.gov (United States)

    Vanommeslaeghe, K; MacKerell, A D

    2012-12-21

    Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug-like molecules alone or interacting with biological systems. In simulations involving biological macromolecules, the biological part is typically represented by a specialized biomolecular force field, while the drug is represented by a matching general (organic) force field. In order to apply these general force fields to an arbitrary drug-like molecule, functionality for assignment of atom types, parameters, and charges is required. In the present article, which is part I of a series of two, we present the algorithms for bond perception and atom typing for the CHARMM General Force Field (CGenFF). The CGenFF atom typer first associates attributes to the atoms and bonds in a molecule, such as valence, bond order, and ring membership among others. Of note are a number of features that are specifically required for CGenFF. This information is then used by the atom typing routine to assign CGenFF atom types based on a programmable decision tree. This allows for straightforward implementation of CGenFF's complicated atom typing rules and for equally straightforward updating of the atom typing scheme as the force field grows. The presented atom typer was validated by assigning correct atom types on 477 model compounds including in the training set as well as 126 test-set molecules that were constructed to specifically verify its different components. The program may be utilized via an online implementation at https://www.paramchem.org/ .

  6. Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis

    International Nuclear Information System (INIS)

    Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

    2015-01-01

    The wettability of graphitic carbon and silicon surfaces was numerically and theoretically investigated. A multi-response method has been developed for the analysis of conventional molecular dynamics (MD) simulations of droplets wettability. The contact angle and indicators of the quality of the computations are tracked as a function of the data sets analyzed over time. This method of analysis allows accurate calculations of the contact angle obtained from the MD simulations. Analytical models were also developed for the calculation of the work of adhesion using the mean-field theory, accounting for the interfacial entropy changes. A calibration method is proposed to provide better predictions of the respective contact angles under different solid-liquid interaction potentials. Estimations of the binding energy between a water monomer and graphite match those previously reported. In addition, a breakdown in the relationship between the binding energy and the contact angle was observed. The macroscopic contact angles obtained from the MD simulations were found to match those predicted by the mean-field model for graphite under different wettability conditions, as well as the contact angles of Si(100) and Si(111) surfaces. Finally, an assessment of the effect of the Lennard-Jones cutoff radius was conducted to provide guidelines for future comparisons between numerical simulations and analytical models of wettability

  7. Nuclear quadrupole interaction measurements of 19F* and 22Na* on Graphite

    International Nuclear Information System (INIS)

    Djoko-Surono, Th; Martin, Peter W

    1996-01-01

    Time differential perturbed angular distribution (TDPAD) technique has been used to investigate nuclear quadrupole interactions of 19 F * and 22 Na * in graphite. We concentrated the measurements on pseudo single crystal graphite called Highly Oriented Pyrolytic Graphite for it has an ordered structure in which the c-axes of the microcrystals aligned in a certain direction with the mosaic spread less than 1 o , while the a- and b-axes randomly oriented on a plane perpendicular to the c-axes. Interactions between quadrupole moment of 19 F * and 22 Na * with its surroundings electric field gradient were studied by detecting the γ-rays distribution, W(Θ,t). For 1 9F * we found one static interaction. The corresponding electric field gradient was V zz =3.24(19)x10 22 V/m 2 . In the case of 22 Na * we found no evidence of nuclear quadrupole interaction, however, we were able to conclude that |QV 22 | 19 bV/m 2 . Using theoretical calculation Q=0.06 barn, we find that |V zz | 20 V/m 2 . These results indicate that the value efg depend on two factors, the host crystal and the core electrons. The core electrons contribution to the total efg is considerably large

  8. Vector field statistical analysis of kinematic and force trajectories.

    Science.gov (United States)

    Pataky, Todd C; Robinson, Mark A; Vanrenterghem, Jos

    2013-09-27

    When investigating the dynamics of three-dimensional multi-body biomechanical systems it is often difficult to derive spatiotemporally directed predictions regarding experimentally induced effects. A paradigm of 'non-directed' hypothesis testing has emerged in the literature as a result. Non-directed analyses typically consist of ad hoc scalar extraction, an approach which substantially simplifies the original, highly multivariate datasets (many time points, many vector components). This paper describes a commensurately multivariate method as an alternative to scalar extraction. The method, called 'statistical parametric mapping' (SPM), uses random field theory to objectively identify field regions which co-vary significantly with the experimental design. We compared SPM to scalar extraction by re-analyzing three publicly available datasets: 3D knee kinematics, a ten-muscle force system, and 3D ground reaction forces. Scalar extraction was found to bias the analyses of all three datasets by failing to consider sufficient portions of the dataset, and/or by failing to consider covariance amongst vector components. SPM overcame both problems by conducting hypothesis testing at the (massively multivariate) vector trajectory level, with random field corrections simultaneously accounting for temporal correlation and vector covariance. While SPM has been widely demonstrated to be effective for analyzing 3D scalar fields, the current results are the first to demonstrate its effectiveness for 1D vector field analysis. It was concluded that SPM offers a generalized, statistically comprehensive solution to scalar extraction's over-simplification of vector trajectories, thereby making it useful for objectively guiding analyses of complex biomechanical systems. © 2013 Published by Elsevier Ltd. All rights reserved.

  9. Low temperature vapor phase digestion of graphite

    Energy Technology Data Exchange (ETDEWEB)

    Pierce, Robert A.

    2017-04-18

    A method for digestion and gasification of graphite for removal from an underlying surface is described. The method can be utilized to remove graphite remnants of a formation process from the formed metal piece in a cleaning process. The method can be particularly beneficial in cleaning castings formed with graphite molding materials. The method can utilize vaporous nitric acid (HNO.sub.3) or vaporous HNO.sub.3 with air/oxygen to digest the graphite at conditions that can avoid damage to the underlying surface.

  10. Sealing nuclear graphite with pyrolytic carbon

    International Nuclear Information System (INIS)

    Feng, Shanglei; Xu, Li; Li, Li; Bai, Shuo; Yang, Xinmei; Zhou, Xingtai

    2013-01-01

    Pyrolytic carbon (PyC) coatings were deposited on IG-110 nuclear graphite by thermal decomposition of methane at ∼1830 °C. The PyC coatings are anisotropic and airtight enough to protect IG-110 nuclear graphite against the permeation of molten fluoride salts and the diffusion of gases. The investigations indicate that the sealing nuclear graphite with PyC coating is a promising method for its application in Molten Salt Reactor (MSR)

  11. Status of Chronic Oxidation Studies of Graphite

    Energy Technology Data Exchange (ETDEWEB)

    Contescu, Cristian I. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mee, Robert W. [Univ. of Tennessee, Knoxville, TN (United States)

    2016-05-01

    Graphite will undergo extremely slow, but continuous oxidation by traces of moisture that will be present, albeit at very low levels, in the helium coolant of HTGR. This chronic oxidation may cause degradation of mechanical strength and thermal properties of graphite components if a porous oxidation layer penetrates deep enough in the bulk of graphite components during the lifetime of the reactor. The current research on graphite chronic oxidation is motivated by the acute need to understand the behavior of each graphite grade during prolonged exposure to high temperature chemical attack by moisture. The goal is to provide the elements needed to develop predictive models for long-time oxidation behavior of graphite components in the cooling helium of HTGR. The tasks derived from this goal are: (1) Oxidation rate measurements in order to determine and validate a comprehensive kinetic model suitable for prediction of intrinsic oxidation rates as a function of temperature and oxidant gas composition; (2) Characterization of effective diffusivity of water vapor in the graphite pore system in order to account for the in-pore transport of moisture; and (3) Development and validation of a predictive model for the penetration depth of the oxidized layer, in order to assess the risk of oxidation caused damage of particular graphite grades after prolonged exposure to the environment of helium coolant in HTGR. The most important and most time consuming of these tasks is the measurement of oxidation rates in accelerated oxidation tests (but still under kinetic control) and the development of a reliable kinetic model. This report summarizes the status of chronic oxidation studies on graphite, and then focuses on model development activities, progress of kinetic measurements, validation of results, and improvement of the kinetic models. Analysis of current and past results obtained with three grades of showed that the classical Langmuir-Hinshelwood model cannot reproduce all

  12. Effects of graphite doping on critical current density and microstructure of MgB2 bulks by an improved Mg-diffusion method

    International Nuclear Information System (INIS)

    Pan, X.F.; Zhao, Y.; Feng, Y.; Yang, Y.; Cheng, C.H.

    2008-01-01

    abstract: A series of graphite-doped MgB 2 bulks with high density have been successfully prepared by an improved Mg-diffusion method in ambient pressure. The effects of graphite doping on lattice parameters, T c , J c and microstructure of MgB 2 have been investigated. The results show that compared to the nano-C-doped or CNTs-doped MgB 2 , C is not easy to substitute B in graphite-doped MgB 2 . However, at the same C content, the graphite-doped MgB 2 has a higher J c . At 10 K and self-field, the J c for MgB 1.985 C 0.015 reaches 0.58 MA/cm 2 . For the MgB 1.945 C 0.055 , at 5 K, 7 T and 10 K, 6 T the J c achieves 10,000 A/cm 2 which is two orders of magnitude higher than that for the undoped sample. In addition to improving electron scattering and intergranular connectivity, the unreacted graphite in the graphite-doped MgB 2 is proposed to be responsible to the excellent J c properties of MgB 2 in high fields, due to depressed grain growth and enhanced grain boundary flux pinning

  13. Mean-field Ohm's law and coaxial helicity injection in force-free plasmas

    International Nuclear Information System (INIS)

    Weening, R. H.

    2011-01-01

    A theoretical analysis of steady-state coaxial helicity injection (CHI) in force-free plasmas is presented using a parallel mean-field Ohm's law that includes resistivity η and hyper-resistivity Λ terms. Using Boozer coordinates, a partial differential equation is derived for the time evolution of the mean-field poloidal magnetic flux, or magnetic Hamiltonian function, from the parallel mean-field Ohm's law. A general expression is obtained from the mean-field theory for the efficiency of CHI current drive in force-free plasmas. Inductances of internal energy, magnetic helicity, and poloidal magnetic flux are used to characterize axisymmetric plasma equilibria that have a model current profile. Using the model current profile, a method is suggested to determine the level of magnetohydrodynamic activity at the magnetic axis and the consequent deviation from the completely relaxed Taylor state. The mean-field Ohm's law model suggests that steady-state CHI can be viewed most simply as a boundary layer problem.

  14. New approaches and solutions of the nonlinear force-free field

    International Nuclear Information System (INIS)

    Xie Baisong; Yin Xintao; Luo Xia

    2006-01-01

    New approaches to nonlinear force-free field equations are presented and new exact solutions are found analytically. Examples are given and some implications of the results to astrophysical solar plasmas as well as tokamak plasmas are discussed

  15. Graphite oral tattoo: case report.

    Science.gov (United States)

    Moraes, Renata Mendonça; Gouvêa Lima, Gabriela de Morais; Guilhermino, Marinaldo; Vieira, Mayana Soares; Carvalho, Yasmin Rodarte; Anbinder, Ana Lia

    2015-10-16

    Pigmented oral lesions compose a large number of pathological entities, including exogenous pigmentat oral tattoos, such as amalgam and graphite tattoos. We report a rare case of a graphite tattoo on the palate of a 62-year-old patient with a history of pencil injury, compare it with amalgam tattoos, and determine the prevalence of oral tattoos in our Oral Pathology Service. We also compare the clinical and histological findings of grafite and amalgam tattoos. Oral tattoos affect women more frequently in the region of the alveolar ridge. Graphite tattoos occur in younger patients when compared with the amalgam type. Histologically, amalgam lesions represent impregnation of the reticular fibers of vessels and nerves with silver, whereas in cases of graphite tattoos, this impregnation is not observed, but it is common to observe a granulomatous inflammatory response, less evident in cases of amalgam tattoos. Both types of lesions require no treatment, but in some cases a biopsy may be done to rule out melanocytic lesions.

  16. Graphite materials for nuclear reactors

    International Nuclear Information System (INIS)

    Oku, Tatsuo

    1991-01-01

    Graphite materials have been used in the nuclear fission reactors from the beginning of the reactor development for the speed reduction and reflection of neutron. Graphite materials are used both as a moderator and as a reflector in the core of high temperature gas-cooled reactors, and both as a radiation shielding material and as a reflector in the surrounding of the core for the fast breeder reactor. On the other hand, graphite materials are being positively used as a first wall of plasma as it is known that low Z materials are useful for holding high temperature plasma in the nuclear fusion devices. In this paper the present status of the application of graphite materials to the nuclear fission reactors and fusion devices (reactors) is presented. In addition, a part of results on the related properties to the structural design and safety evaluation and results examined on the subjects that should be done in the future are also described. (author)

  17. Fracture behavior of nuclear graphites under tensile impact loading

    International Nuclear Information System (INIS)

    Ugachi, Hirokazu; Ishiyama, Shintaro; Eto, Motokuni

    1994-01-01

    Impact tensile strength test was performed with two kinds of HTTR graphites, fine grained isotropic graphite, IG-11 and coarse grained near isotropic graphite, PGX and deformation and fracture behavior under the strain rate of over 100s -1 was measured and the following results were derived: (1) Tensile strength for IG-11 graphite does not depend on the strain rate less than 1 s -1 , but over 1 s -1 , tensile strength for IG-11 graphite increase larger than that measured under 1 s -1 . At the strain rate more than 100 s -1 , remarkable decrease of tensile strength for IG-11 graphite was found. Tensile strength of PGX graphite does not depend on the strain rate less than 1 s -1 , but beyond this value, the sharp tensile strength decrease occurs. (2) Under 100 s -1 , fracture strain for both graphites increase with increase of strain rate and over 100 s -1 , drastic increase of fracture strain for IG-11 graphite was found. (3) At the part of gage length, volume of specimen increase with increase of tensile loading level and strain rate. (4) Poisson's ratio for both graphites decrease with increase of tensile loading level and strain rate. (5) Remarkable change of stress-strain curve for both graphites under 100 s -1 was not found, but over 100 s -1 , the slope of these curve for IG-11 graphite decrease drastically. (author)

  18. The Fracture Toughness of Nuclear Graphites Grades

    Energy Technology Data Exchange (ETDEWEB)

    Burchell, Timothy D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Erdman, III, Donald L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lowden, Rick R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hunter, James A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hannel, Cara C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-04-01

    New measurements of graphite mode I critical stress intensity factor, KIc (commonly referred to as the fracture toughness) and the mode II critical shear stress intensity, KIIc, are reported and compared with prior data for KIc and KIIc. The new data are for graphite grades PCEA, IG-110 and 2114. Variations of KIc and acoustic emission (AE) data with graphite texture are reported and discussed. The Codes and Standards applications of fracture toughness, KIc, data are also discussed. A specified minimum value for nuclear graphite KIc is recommended.

  19. Monovacancy paramagnetism in neutron-irradiated graphite probed by 13C NMR.

    Science.gov (United States)

    Zhang, Zhi Tao; Xu, C; Dmytriieva, Daryna; Molatta, Sebastian; Wosnitza, J; Wang, Y T; Helm, Manfred; Zhou, Shengqiang; Kuehne, Hannes

    2017-09-18

    We report on the magnetic properties of monovacancy defects in neutron-irradiated graphite, probed by $^{13}$C nuclear magnetic resonance spectroscopy. The bulk paramagnetism of the defect moments is revealed by the temperature dependence of the NMR frequency shift and spectral linewidth, both of which follow a Curie behavior, in agreement with measurements of the macroscopic magnetization. Compared to pristine graphite, the fluctuating hyperfine fields generated by the defect moments lead to an enhancement of the $^{13}$C nuclear spin-lattice relaxation rate $1/T_{1}$ by about two orders of magnitude. With an applied magnetic field of 7.1 T, the temperature dependence of $1/T_{1}$ below about 10 K can well be described by a thermally activated form, $1/T_{1}\\propto\\exp(-\\Delta/k_{B}T)$, yielding a singular Zeeman energy of ($0.41\\pm0.01$) meV, in excellent agreement with the sole presence of polarized, non-interacting defect moments. © 2017 IOP Publishing Ltd.

  20. Misorientations in spheroidal graphite: some new insights about spheroidal graphite growth in cast irons

    International Nuclear Information System (INIS)

    Lacaze, J; Theuwissen, K; Laffont, L; Véron, M

    2016-01-01

    Local diffraction patterning, orientation mapping and high resolution transmission electron microscopy imaging have been used to characterize misorientations in graphite spheroids of cast irons. Emphasis is put here on bulk graphite, away from the nucleus as well as from the outer surface of the spheroids in order to get information on their growth during solidification. The results show that spheroidal graphite consists in conical sectors made of elementary blocks piled up on each other. These blocks are elongated along the prismatic a direction of graphite with the c axes roughly parallel to the radius of the spheroids. This implies that the orientation of the blocks rotates around the spheroid centre giving low angle tilting misorientations along tangential direction within each sector. Misorientations between neighbouring sectors are of higher values and their interfaces show rippled layers which are characteristic of defects in graphene. Along a radius of the spheroid, clockwise and anticlockwise twisting between blocks is observed. These observations help challenging some of the models proposed to explain spheroidal growth in cast ions. (paper)

  1. Design of the Graphite Reflectors in Research Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jin Haeng; Cho, Yeong Garp; Kim, Tae Kyu; Kim, Jong In [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2012-05-15

    Graphite is often used as one of reflector materials for research reactors because of its low neutron absorption cross-section, good moderating properties, and relatively low and stable price. In addition, graphite has excellent properties at high temperatures, so it is widely used as a core material in high temperature reactors. However, its material characteristics such as strength, elastic modulus, thermal expansion coefficient, dimensional change, and thermal conductivity sensitively depend on neutron fluence, temperature, and its manufacturing process. In addition, the Wigner energy and the treatment of the graphite waste such as C-14 should also be considered. For the design of the graphite reflectors, it is therefore essential to understand the material characteristics of chosen graphite materials at given conditions. Especially, the dimensional changes and the thermal conductivity are very important factors to design the nuclear components using graphite as a nonstructural material. Hence, in this study, the material characteristics of graphite are investigated via some experiments in literature. Improving design methods for graphite reflectors in research reactors are then suggested to minimize the problems, and the advantages and disadvantages of each method are also discussed

  2. Modeling Fission Product Sorption in Graphite Structures

    International Nuclear Information System (INIS)

    Szlufarska, Izabela; Morgan, Dane; Allen, Todd

    2013-01-01

    The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high-temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products

  3. Quantifying the Attractive Force Exerted on the Pinned Calcium Spiral Waves by Using the Adventive Field

    International Nuclear Information System (INIS)

    Qiu Kang; Tang Jun; Luo Jin-Ming; Ma Jun

    2013-01-01

    The cytosolic calcium system is inhomogenous because of the discrete and random distribution of ion channels on the ER membrane. It is well known that the spiral tip can be pinned by the heterogenous area, and the field can detach the spiral from the heterogeneity. We use the adventive field to counteract the attractive force exerting on the calcium spiral wave by the heterogeneity, then the strength of the adventive field is used to quantify the attractive force indirectly. Two factors determining the attractive force are studied. It is found that: (1) the attractive force sharply increases with size of the heterogeneity for small-size heterogeneity, whereas the force increases to a saturated value for large-size heterogeneity; (2) for large-size heterogeneity, the force almost remains constant unless the level of the heterogeneity vanishes, the force decreases to zero linearly and sharply, and for small-size heterogeneity, the force decreases successively with the level of the heterogeneity. Furthermore, it is found that the forces exist only when the spiral tip is very close to the heterogenous area. Our study may shed some light on the control or suppression of the calcium spiral wave

  4. Coupled energy-drift and force-balance equations for high-field hot-carrier transport

    International Nuclear Information System (INIS)

    Huang, Danhong; Alsing, P.M.; Apostolova, T.; Cardimona, D.A.

    2005-01-01

    Coupled energy-drift and force-balance equations that contain a frictional force for the center-of-mass motion of electrons are derived for hot-electron transport under a strong dc electric field. The frictional force is found to be related to the net rate of phonon emission, which takes away the momentum of a phonon from an electron during each phonon-emission event. The net rate of phonon emission is determined by the Boltzmann scattering equation, which depends on the distribution of electrons interacting with phonons. The work done by the frictional force is included into the energy-drift equation for the electron-relative scattering motion and is found to increase the thermal energy of the electrons. The importance of the hot-electron effect in the energy-drift term under a strong dc field is demonstrated in reducing the field-dependent drift velocity and mobility. The Doppler shift in the energy conservation of scattering electrons interacting with impurities and phonons is found to lead to an anisotropic distribution of electrons in the momentum space along the field direction. The importance of this anisotropic distribution is demonstrated through a comparison with the isotropic energy-balance equation, from which we find that defining a state-independent electron temperature becomes impossible. To the leading order, the energy-drift equation is linearized with a distribution function by expanding it into a Fokker-Planck-type equation, along with the expansions of both the force-balance equation and the Boltzmann scattering equation for hot phonons

  5. Modification of structural graphite machining

    International Nuclear Information System (INIS)

    Lavrenev, M.M.

    1979-01-01

    Studied are machining procedures for structural graphites (GMZ, MG, MG-1, PPG) most widely used in industry, of the article mass being about 50 kg. Presented are dependences necessary for the calculation of cross sections of chip suction tappers and duster pipelines in machine shops for structural graphite machining

  6. Friction anisotropy in boronated graphite

    International Nuclear Information System (INIS)

    Kumar, N.; Radhika, R.; Kozakov, A.T.; Pandian, R.; Chakravarty, S.; Ravindran, T.R.; Dash, S.; Tyagi, A.K.

    2015-01-01

    Graphical abstract: - Highlights: • Friction anisotropy in boronated graphite is observed in macroscopic sliding condition. • Low friction coefficient is observed in basal plane and becomes high in prismatic direction. • 3D phase of boronated graphite transformed into 2D structure after friction test. • Chemical activity is high in prismatic plane forming strong bonds between the sliding interfaces. - Abstract: Anisotropic friction behavior in macroscopic scale was observed in boronated graphite. Depending upon sliding speed and normal loads, this value was found to be in the range 0.1–0.35 in the direction of basal plane and becomes high 0.2–0.8 in prismatic face. Grazing-incidence X-ray diffraction analysis shows prominent reflection of (0 0 2) plane at basal and prismatic directions of boronated graphite. However, in both the wear tracks (1 1 0) plane become prominent and this transformation is induced by frictional energy. The structural transformation in wear tracks is supported by micro-Raman analysis which revealed that 3D phase of boronated graphite converted into a disordered 2D lattice structure. Thus, the structural aspect of disorder is similar in both the wear tracks and graphite transfer layers. Therefore, the crystallographic aspect is not adequate to explain anisotropic friction behavior. Results of X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy shows weak signature of oxygen complexes and functional groups in wear track of basal plane while these species dominate in prismatic direction. Abundance of these functional groups in prismatic plane indicates availability of chemically active sites tends to forming strong bonds between the sliding interfaces which eventually increases friction coefficient

  7. Friction anisotropy in boronated graphite

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, N., E-mail: niranjan@igcar.gov.in [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Radhika, R. [Crystal Growth Centre, Anna University, Chennai (India); Kozakov, A.T. [Research Institute of Physics, Southern Federal University, Rostov-on-Don (Russian Federation); Pandian, R. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Chakravarty, S. [UGC-DAE CSR, Kalpakkam (India); Ravindran, T.R.; Dash, S.; Tyagi, A.K. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India)

    2015-01-01

    Graphical abstract: - Highlights: • Friction anisotropy in boronated graphite is observed in macroscopic sliding condition. • Low friction coefficient is observed in basal plane and becomes high in prismatic direction. • 3D phase of boronated graphite transformed into 2D structure after friction test. • Chemical activity is high in prismatic plane forming strong bonds between the sliding interfaces. - Abstract: Anisotropic friction behavior in macroscopic scale was observed in boronated graphite. Depending upon sliding speed and normal loads, this value was found to be in the range 0.1–0.35 in the direction of basal plane and becomes high 0.2–0.8 in prismatic face. Grazing-incidence X-ray diffraction analysis shows prominent reflection of (0 0 2) plane at basal and prismatic directions of boronated graphite. However, in both the wear tracks (1 1 0) plane become prominent and this transformation is induced by frictional energy. The structural transformation in wear tracks is supported by micro-Raman analysis which revealed that 3D phase of boronated graphite converted into a disordered 2D lattice structure. Thus, the structural aspect of disorder is similar in both the wear tracks and graphite transfer layers. Therefore, the crystallographic aspect is not adequate to explain anisotropic friction behavior. Results of X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy shows weak signature of oxygen complexes and functional groups in wear track of basal plane while these species dominate in prismatic direction. Abundance of these functional groups in prismatic plane indicates availability of chemically active sites tends to forming strong bonds between the sliding interfaces which eventually increases friction coefficient.

  8. Effects of Oxidation on Oxidation-Resistant Graphite

    Energy Technology Data Exchange (ETDEWEB)

    Windes, William [Idaho National Lab. (INL), Idaho Falls, ID (United States); Smith, Rebecca [Idaho National Lab. (INL), Idaho Falls, ID (United States); Carroll, Mark [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-05-01

    The Advanced Reactor Technology (ART) Graphite Research and Development Program is investigating doped nuclear graphite grades that exhibit oxidation resistance through the formation of protective oxides on the surface of the graphite material. In the unlikely event of an oxygen ingress accident, graphite components within the VHTR core region are anticipated to oxidize so long as the oxygen continues to enter the hot core region and the core temperatures remain above 400°C. For the most serious air-ingress accident which persists over several hours or days the continued oxidation can result in significant structural damage to the core. Reducing the oxidation rate of the graphite core material during any air-ingress accident would mitigate the structural effects and keep the core intact. Previous air oxidation testing of nuclear-grade graphite doped with varying levels of boron-carbide (B4C) at a nominal 739°C was conducted for a limited number of doped specimens demonstrating a dramatic reduction in oxidation rate for the boronated graphite grade. This report summarizes the conclusions from this small scoping study by determining the effects of oxidation on the mechanical strength resulting from oxidation of boronated and unboronated graphite to a 10% mass loss level. While the B4C additive did reduce mechanical strength loss during oxidation, adding B4C dopants to a level of 3.5% or more reduced the as-fabricated compressive strength nearly 50%. This effectively minimized any benefits realized from the protective film formed on the boronated grades. Future work to infuse different graphite grades with silicon- and boron-doped material as a post-machining conditioning step for nuclear components is discussed as a potential solution for these challenges in this report.

  9. Preparation of in-house graphite reference material for boron

    International Nuclear Information System (INIS)

    Kumar, Sanjukta A.; Venkatesh, K.; Swain, Kallola K.; Manisha, V.; Kamble, Granthali S.; Pandey, Shailaja P.; Remya Devi, P.S.; Ghosh, M.; Verma, R.

    2016-05-01

    Graphite is extensively used in nuclear technology. Boron concentration in graphite is one of the important parameters that decide its acceptability for nuclear applications. Reliable analytical methods are essential for the determination of boron in graphite at concentration about 5 mg kg -1 . Reference materials are used for validation of existing analytical methods and developing new methodologies. In view of the importance of determination of boron in graphite and unavailability of graphite reference material, an In-house graphite reference material was prepared in Analytical Chemistry Division. Graphite source material was procured, processed to obtain powder of ≤ 75 μm (200 mesh) and bottled. Procedures were developed for the determination of boron in graphite using inductively coupled plasma optical emission spectrometry (ICPOES) and inductively coupled plasma mass spectrometry (ICPMS) techniques. Homogeneity testing was carried out on the bottled units and boron content along with the combined and expanded uncertainties were established. The assigned boron concentration in the In-house graphite reference material is (7.3±0.46) mg kg -1 . (author)

  10. A bidirectional brain-machine interface algorithm that approximates arbitrary force-fields.

    Directory of Open Access Journals (Sweden)

    Alessandro Vato

    Full Text Available We examine bidirectional brain-machine interfaces that control external devices in a closed loop by decoding motor cortical activity to command the device and by encoding the state of the device by delivering electrical stimuli to sensory areas. Although it is possible to design this artificial sensory-motor interaction while maintaining two independent channels of communication, here we propose a rule that closes the loop between flows of sensory and motor information in a way that approximates a desired dynamical policy expressed as a field of forces acting upon the controlled external device. We previously developed a first implementation of this approach based on linear decoding of neural activity recorded from the motor cortex into a set of forces (a force field applied to a point mass, and on encoding of position of the point mass into patterns of electrical stimuli delivered to somatosensory areas. However, this previous algorithm had the limitation that it only worked in situations when the position-to-force map to be implemented is invertible. Here we overcome this limitation by developing a new non-linear form of the bidirectional interface that can approximate a virtually unlimited family of continuous fields. The new algorithm bases both the encoding of position information and the decoding of motor cortical activity on an explicit map between spike trains and the state space of the device computed with Multi-Dimensional-Scaling. We present a detailed computational analysis of the performance of the interface and a validation of its robustness by using synthetic neural responses in a simulated sensory-motor loop.

  11. Structure and functionality of bromine doped graphite.

    Science.gov (United States)

    Hamdan, Rashid; Kemper, A F; Cao, Chao; Cheng, H P

    2013-04-28

    First-principles calculations are used to study the enhanced in-plane conductivity observed experimentally in Br-doped graphite, and to study the effect of external stress on the structure and functionality of such systems. The model used in the numerical calculations is that of stage two doped graphite. The band structure near the Fermi surface of the doped systems with different bromine concentrations is compared to that of pure graphite, and the charge transfer between carbon and bromine atoms is analyzed to understand the conductivity change along different high symmetry directions. Our calculations show that, for large interlayer separation between doped graphite layers, bromine is stable in the molecular form (Br2). However, with increased compression (decreased layer-layer separation) Br2 molecules tend to dissociate. While in both forms, bromine is an electron acceptor. The charge exchange between the graphite layers and Br atoms is higher than that with Br2 molecules. Electron transfer to the Br atoms increases the number of hole carriers in the graphite sheets, resulting in an increase of conductivity.

  12. Mode II interlaminar fracture of graphite/epoxy and graphite/PEEK

    Science.gov (United States)

    Carlsson, L. A.; Gillespie, J. W.; Trethewey, B. R.

    1986-01-01

    The end notched flexure (ENF) specimen is employed in an investigation of the interlaminar fracture toughness in Mode II (skew symmetric shear) loading of unidirectional graphite/epoxy and graphite/PEEK composites. Important experimental parameters such as the influence of precracking and the data reduction scheme for the Mode II toughness are discussed. Nonlinear load-deflection response is significant for the tough thermoplastic resin composite but is also present for the brittle thermoset composite. The observed nonlinearities, which are highly rate dependent, are attributed to a combination of slow stable crack growth preceding unstable crack growth and material inelastic behavior in the process zone around the crack tip.

  13. Synthesis of graphene nanoplatelets from peroxosulfate graphite intercalation compounds

    OpenAIRE

    MELEZHYK A.V.; TKACHEV A.G.

    2014-01-01

    Ultrasonic exfoliation of expanded graphite compound obtained by cold expansion of graphite intercalated with peroxodisulfuric acid was shown to allow the creation of graphene nanoplatelets with thickness of about 5-10 nm. The resulting graphene material contained surface oxide groups. The expanded graphite intercalation compound was exfoliated by ultrasound much easier than thermally expanded graphite. A mechanism for the cleavage of graphite to graphene nanoplatelets is proposed. It include...

  14. Chemisputtering of interstellar graphite grains

    International Nuclear Information System (INIS)

    Draine, B.T.

    1979-01-01

    The rate of erosion of interstellar graphite grains as a result of chemical reaction with H, N, and O is estimated using the available experiment evidence. It is argued that ''chemical sputtering'' yields for interstellar graphite grains will be much less than unity, contrary to earlier estimates by Barlow and Silk. Chemical sputtering of graphite grains in evolving H II regions is found to be unimportant, except in extremely compact (n/sub H/> or approx. =10 5 cm -3 ) H II regions. Alternative explanations are considered for the apparent weakness of the lambda=2175 A extinction ''bump'' in the direction of several early type stars

  15. Obtention of nuclear grade graphite

    International Nuclear Information System (INIS)

    Ferreira, M.L.

    1984-01-01

    The impurity level of natural graphite found in some of the most important mines of the State of Minas Gerais - Brasil is determined. It is also concerned with the development and use of natural graphite in nuclear reactors. Standard methods for chemical and instrumentsal analysis such as Spectrografic Determination by Emission, Spectrografic Determination by X-Rays, Spectrografic Determination by Atomic Asorption, Photometric Determination, and also chemical and physical methods for separation of impurities as well standard method for Estimating the Thermal Neutron Absorption Cross Section of graphite were employed. Some aditionals methods of purification to the ordinary treatment such as the use of metanol and halogens are also described. (Author) [pt

  16. Low-energy electron observation of graphite and molybdenite crystals. Application to the study of graphite oxidation

    International Nuclear Information System (INIS)

    David, G.

    1969-01-01

    The LEED study of cleaved (0001) faces of crystals having a layered structure allowed to investigate flakes free of steps on graphite and molybdenite, to show twinning on natural graphite. By intensity measurements and computation in the case of a kinematical approximation it has been possible to determine an inner potential of 19 eV for graphite and to identify the direction of the Mo-S bond of the surface layer of molybdenite. The oxidation of graphite has been studied by observing changes, in symmetry of the diffraction patterns and by mass spectrometry of the gases evolved during the oxidation. No surface compounds have been detected and the carbon layers appeared to be peeled off one after the other. The oxidation took place at temperatures higher than 520 C under an oxygen pressure of 10 -5 torr. (author) [fr

  17. A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate

    Science.gov (United States)

    Zeman, Johannes; Uhlig, Frank; Smiatek, Jens; Holm, Christian

    2017-12-01

    We present a coarse-grained polarizable molecular dynamics force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]). For the treatment of electronic polarizability, we employ the Drude model. Our results show that the new explicitly polarizable force field reproduces important static and dynamic properties such as mass density, enthalpy of vaporization, diffusion coefficients, or electrical conductivity in the relevant temperature range. In situations where an explicit treatment of electronic polarizability might be crucial, we expect the force field to be an improvement over non-polarizable models, while still profiting from the reduction of computational cost due to the coarse-grained representation.

  18. Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds

    Science.gov (United States)

    Pietropolli Charmet, Andrea; Cornaton, Yann

    2018-05-01

    This work presents an investigation of the theoretical predictions yielded by anharmonic force fields having the cubic and quartic force constants are computed analytically by means of density functional theory (DFT) using the recursive scheme developed by M. Ringholm et al. (J. Comput. Chem. 35 (2014) 622). Different functionals (namely B3LYP, PBE, PBE0 and PW86x) and basis sets were used for calculating the anharmonic vibrational spectra of two halomethanes. The benchmark analysis carried out demonstrates the reliability and overall good performances offered by hybrid approaches, where the harmonic data obtained at the coupled cluster with single and double excitations level of theory augmented by a perturbational estimate of the effects of connected triple excitations, CCSD(T), are combined with the fully analytic higher order force constants yielded by DFT functionals. These methods lead to reliable and computationally affordable calculations of anharmonic vibrational spectra with an accuracy comparable to that yielded by hybrid force fields having the anharmonic force fields computed at second order Møller-Plesset perturbation theory (MP2) level of theory using numerical differentiation but without the corresponding potential issues related to computational costs and numerical errors.

  19. Separation medium containing thermally exfoliated graphite oxide

    Science.gov (United States)

    Prud'homme, Robert K. (Inventor); Aksay, Ilhan A. (Inventor); Herrera-Alonso, Margarita (Inventor)

    2012-01-01

    A separation medium, such as a chromatography filling or packing, containing a modified graphite oxide material, which is a thermally exfoliated graphite oxide with a surface area of from about 300 m.sup.2/g to 2600 m.sup.2/g, wherein the thermally exfoliated graphite oxide has a surface that has been at least partially functionalized.

  20. Influence of irradiation on high-strength graphites

    International Nuclear Information System (INIS)

    Virgil'ev, Yu.S.; Grebennik, V.N.; Kalyagina, I.P.

    1989-01-01

    To ensure efficiency of the graphite elements of the construction of the masonry of reactors, the graphite must possess high radiation stability, strength, and heat resistance. In this connection, the physical properties of graphites based on uncalcined petroleum coke with a binder - high-temperature hard coal pitch - the amount of which reaches 40% are considered in this paper

  1. Surface area-burnoff correlation for the steam--graphite reaction

    International Nuclear Information System (INIS)

    Stark, W.A. Jr.; Malinauskas, A.P.

    1977-01-01

    The oxidation of core graphite by steam of air represents a problem area of significant concern in safety analyses for the high temperature gas cooled reactor (HTGR). Core and core-support graphite integrity and strength deteriorate with oxidation of the graphite, and oxidation furthermore could affect the rate of fission product release under upset conditions. Consequently, modeling of core response during steam or air ingress conditions requires an expression for the rate of graphite interaction with those impurities. The steam--graphite reaction in particular is a complex interaction of mass transport within the graphite with chemi-sorption and reaction on accessible surfaces; experimental results from graphite to graphite are highly variable, and the description of the reaction is not yet completely consistent. A simple etch pit model relating surface area to burnoff has been proposed and shown to provide reasonable correlation with experimental data obtained from steam oxidation studies of nuclear grade H-327 graphite. Unaccounted differences between theory and experiment arise at burnoffs exceeding 3 to 5 percent. The model, while not complete nor comprehensive, is consistent with experimental observations of graphite oxidation by O 2 (air), CO 2 , or H 2 O, and could have some utility in safety analysis

  2. Experience with graphite in JET

    International Nuclear Information System (INIS)

    Pick, M.A.; Celentano, G.; Deksnis, E.; Dietz, K.J.; Shaw, R.; Sonnenberg, K.; Walravens, M.

    1987-01-01

    During the current operational period of JET more than 50% of the internal area of the machine is covered in graphite tiles. This includes the 15 m 2 of carbon tiles installed in the new toroidal limiter, the 40 poloidal belts of graphite tiles covering the U-joints and bellows as well as a two metre high ring (-- 20 m 2 ) or carbon tiles on the inner wall of the Torus. A ring of tiles in the equatorial plane (3 tiles high) consists of carbon-carbon fibre tiles. Test bed results indicated that the fine grained graphite tiles cracked at ∼ 1 kW/cm 2 for 2s of irradiation whereas the carbon-carbon fibre tiles were able to sustain a flux, limited by the irradiation facility, of 3.5 kW for 3s without any damage. The authors report on the generally positive experience they have had had with the installed graphite during the present and previous in-vessel configurations. This includes the physical integrity of the tiles under severe conditions such as high energy run-away electron beams, plasma disruptions and high heat fluxes. They report on the importance of the precise positioning of the inner wall and x-point tiles at the very high power fluxes of JET and the effect of deviations on both graphite and carbon-fibre tiles

  3. Studies of Reduced Graphene Oxide and Graphite Oxide in the Aspect of Their Possible Application in Gas Sensors

    Science.gov (United States)

    Drewniak, Sabina; Muzyka, Roksana; Stolarczyk, Agnieszka; Pustelny, Tadeusz; Kotyczka-Morańska, Michalina; Setkiewicz, Maciej

    2016-01-01

    The paper presents the results of investigations on resistance structures based on graphite oxide (GRO) and graphene oxide (rGO). The subject matter of the investigations was thaw the sensitivity of the tested structures was affected by hydrogen, nitrogen dioxide and carbon dioxide. The experiments were performed at a temperature range from 30 °C to 150 °C in two carrier gases: nitrogen and synthetic air. The measurements were also aimed at characterization of the graphite oxide and graphene oxide. In our measurements we used (among others) techniques such as: Atomic Force Microscopy (AFM); Scanning Electron Microscopy (SEM); Raman Spectroscopy (RS); Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Photoelectron Microscopy (XPS). The data resulting from the characterizations of graphite oxide and graphene oxide have made it possible to interpret the obtained results from the point of view of physicochemical changes occurring in these structures. PMID:26784198

  4. Studies of Reduced Graphene Oxide and Graphite Oxide in the Aspect of Their Possible Application in Gas Sensors.

    Science.gov (United States)

    Drewniak, Sabina; Muzyka, Roksana; Stolarczyk, Agnieszka; Pustelny, Tadeusz; Kotyczka-Morańska, Michalina; Setkiewicz, Maciej

    2016-01-15

    The paper presents the results of investigations on resistance structures based on graphite oxide (GRO) and graphene oxide (rGO). The subject matter of the investigations was thaw the sensitivity of the tested structures was affected by hydrogen, nitrogen dioxide and carbon dioxide. The experiments were performed at a temperature range from 30 °C to 150 °C in two carrier gases: nitrogen and synthetic air. The measurements were also aimed at characterization of the graphite oxide and graphene oxide. In our measurements we used (among others) techniques such as: Atomic Force Microscopy (AFM); Scanning Electron Microscopy (SEM); Raman Spectroscopy (RS); Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Photoelectron Microscopy (XPS). The data resulting from the characterizations of graphite oxide and graphene oxide have made it possible to interpret the obtained results from the point of view of physicochemical changes occurring in these structures.

  5. Effects of lorentz force on flow fields of free burning arc and wall stabilized non-transferred arc

    International Nuclear Information System (INIS)

    Peng Yi; Huang Heji; Pan Wenxia

    2013-01-01

    The flow fields of two typical DC plasma arcs, namely the transferred free burning arc and the non-transferred arc were simulated by solving hydrodynamic equations and electromagnetic equations. The effects of the Lorentz force on the characteristics of the flow fields of these two typical DC plasma arcs were estimated. Results show that in the case of the free burning arc, the Lorentz force due to the current self-induced magnetic field has significant impact on the flow fields, as the self-induced magnetic compression is the main arc constraint mechanism. However, in the case of the non-transferred arc generated in a torch with long and narrow inter-electrode inserts and an abruptly expanded anode, the Lorentz force has limited impact on the flow fields of the plasma especially at the downstream of the inter-electrode inserts, compared with the strong wall constraints and relatively high aerodynamic force. This is because the ratio of the electromagnetic force to the aerodynamic force is only about 0.01 in this region. When the main consideration is outlet parameters of the wall stabilized non-transferred DC arc plasma generator, in order to improve the efficiency of the numerical simulation program, the Lorentz force could be neglected in the non-transferred arc in some cases. (authors)

  6. Regularization of fields for self-force problems in curved spacetime: Foundations and a time-domain application

    International Nuclear Information System (INIS)

    Vega, Ian; Detweiler, Steven

    2008-01-01

    We propose an approach for the calculation of self-forces, energy fluxes and waveforms arising from moving point charges in curved spacetimes. As opposed to mode-sum schemes that regularize the self-force derived from the singular retarded field, this approach regularizes the retarded field itself. The singular part of the retarded field is first analytically identified and removed, yielding a finite, differentiable remainder from which the self-force is easily calculated. This regular remainder solves a wave equation which enjoys the benefit of having a nonsingular source. Solving this wave equation for the remainder completely avoids the calculation of the singular retarded field along with the attendant difficulties associated with numerically modeling a delta-function source. From this differentiable remainder one may compute the self-force, the energy flux, and also a waveform which reflects the effects of the self-force. As a test of principle, we implement this method using a 4th-order (1+1) code, and calculate the self-force for the simple case of a scalar charge moving in a circular orbit around a Schwarzschild black hole. We achieve agreement with frequency-domain results to ∼0.1% or better.

  7. Adsorption of charged albumin subdomains on a graphite surface.

    Science.gov (United States)

    Raffaini, Giuseppina; Ganazzoli, Fabio

    2006-03-01

    We report some new molecular dynamics simulation results about the adsorption on a hydrophobic graphite surface of two albumin subdomains, each formed by three different alpha-helices, considering the correctly charged side groups at pH = 7 instead of the neutral ones as done in our previous exploratory paper (Raffaini and Ganazzoli, Langmuir 2003;19:3403-3412). We find that the presence of charges affects somewhat the initial adsorption stage on the electrostatically neutral surface, but not the final one. Thus, we recover the result that a monolayer of aminoacids is eventually formed, with a rough parallelism of distant strands to optimize both the intramolecular and the surface interactions. This feature is consistent with the adsorption on the hydrophobic surface being driven by dispersion forces only, and with the "soft" nature of albumin. Additional optimizations of the final monolayer carried out at pH = 3 and 11 do not modify appreciably this picture, suggesting that adsorption on graphite is basically independent of pH. The enhanced hydration of the final adsorption state due to the (delocalized) charges of the side groups is also discussed in comparison with similar results of the neutralized subdomains. (c) 2005 Wiley Periodicals, Inc.

  8. Magnetohydrodynamic Modeling of Solar Coronal Dynamics with an Initial Non-force-free Magnetic Field

    Energy Technology Data Exchange (ETDEWEB)

    Prasad, A.; Bhattacharyya, R.; Kumar, Sanjay [Udaipur Solar Observatory, Physical Research Laboratory, Dewali, Bari Road, Udaipur-313001 (India)

    2017-05-01

    The magnetic fields in the solar corona are generally neither force-free nor axisymmetric and have complex dynamics that are difficult to characterize. Here we simulate the topological evolution of solar coronal magnetic field lines (MFLs) using a magnetohydrodynamic model. The simulation is initialized with a non-axisymmetric non-force-free magnetic field that best correlates with the observed vector magnetograms of solar active regions (ARs). To focus on these ideas, simulations are performed for the flaring AR 11283 noted for its complexity and well-documented dynamics. The simulated dynamics develops as the initial Lorentz force pushes the plasma and facilitates successive magnetic reconnections at the two X-type null lines present in the initial field. Importantly, the simulation allows for the spontaneous development of mass flow, unique among contemporary works, that preferentially reconnects field lines at one of the X-type null lines. Consequently, a flux rope consisting of low-lying twisted MFLs, which approximately traces the major polarity inversion line, undergoes an asymmetric monotonic rise. The rise is attributed to a reduction in the magnetic tension force at the region overlying the rope, resulting from the reconnection. A monotonic rise of the rope is in conformity with the standard scenario of flares. Importantly, the simulated dynamics leads to bifurcations of the flux rope, which, being akin to the observed filament bifurcation in AR 11283, establishes the appropriateness of the initial field in describing ARs.

  9. Microscopic derivation of the force on a dielectric fluid in an electromagnetic field

    International Nuclear Information System (INIS)

    Lai, H.M.; Suen, W.M.; Young, K.

    1982-01-01

    The force acting on a Clausius-Mossotti fluid in an electromagnetic field is evaluated microscopically. Owing to the modification of the two-particle density by the electric field, an additional mechanical force Δf/sup( M/) is found. When this is added to the electrical force f/sup( E/), the total force in the static case becomes identical to that deduced macroscopically by Helmholtz. The analysis is extended to various time-dependent cases, and it is pointed out that Δf/sup( M/) essentially assumes its static value on time scales longer than T/sub c/, the relaxation time of the two-particle density, but is otherwise negligibly small. Thus Peierls's theory of the momentum of light is valid only for pulses much shorter than T/sub c/; the necessary correction due to Δf/sup( M/) in other cases is given and discussed

  10. Scalar meson field and many-body forces. Chapter 23

    International Nuclear Information System (INIS)

    Nyman, E.M.

    1979-01-01

    In applications of field theory to the theory of the nuclear forces, one has frequently assumed that there is a scalar meson. It will then be responsible for most of the medium-range attraction between the nucleons. According to current ideas, however, it is possible to account for the medium-range attraction without an elementary sigma meson. This approach requires a careful treatment of the exchange of interacting pairs of π mesons, such as to include those ππ interactions which are responsible for the formation and decay of the sigma meson. Recently, the scalar field in the nuclear many-body problem has begun to receive more attention. There are two reasons for this change of philosophy. One reason is the discovery of neutron stars. In neutron stars, the nucleon number density can be much higher than in nuclei. One therefore wants to derive the equation of state from a relativistic many-body theory. This forces one to deal explicitly with a set of mesons, such that in the non-relativistic limit one recovers the one-boson-exchange potential. (Auth.)

  11. Collective modes in superconducting rhombohedral graphite

    Energy Technology Data Exchange (ETDEWEB)

    Kauppila, Ville [O.V. Lounasmaa Laboratory, Aalto University (Finland); Hyart, Timo; Heikkilae, Tero [University of Jyvaeskylae (Finland)

    2015-07-01

    Recently it was realized that coupling particles with a Dirac dispersion (such as electrons in graphene) can lead to a topologically protected state with flat band dispersion. Such a state could support superconductivity with unusually high critical temperatures. Perhaps the most promising way to realize such coupling in real materials is in the surface of rhombohedrally stacked graphite. We consider collective excitations (i.e. the Higgs modes) in surface superconducting rhombohedral graphite. We find two amplitude and two phase modes corresponding to the two surfaces of the graphite where the superconductivity lives. We calculate the dispersion of these modes. We also derive the Ginzburg-Landau theory for this material. We show that in superconducting rhombohedral graphite, the collective modes, unlike in conventional BCS superconductors, give a large contribution to thermodynamic properties of the material.

  12. Computer Package for Graphite Total Cross-Section Calculations

    International Nuclear Information System (INIS)

    Adib, M.; Fathalla, M.

    2008-01-01

    An additive formula is given which allows calculating the contribution of the total neut.>neutron transmission through crystalline graphite. The formula takes into account the graphite form of poly or pyrolytic crystals and its parameters. Computer package Graphite has been designed in order to provide the required calculations in the neutron energy range from 0.1 MeV to 10 eV. The package includes three codes: PCG (Polycrystalline Graphite), PG (Pyrolytic Graphite) and HOPG (Highly Oriented Pyrolytic Graphite) for calculating neutron transmission through fine graphite powder (polycrystalline), neutron transmission and removal coefficient of PG crystal in terms of its mosaic spread for neutrons incident along its c-axis and the transmission of neutrons incident on HOPG crystal at different angles, respectively. For comparison of the experimental neutron transmission data with the calculated values, the program takes into consideration the effect of both wavelength and neutron beam divergence in either 2 constant wavelength spread mode (δλ=constant) or constant wavelength resolution mode (δλ/λ=constant). In order to check the validity for application of computer package Graphite in cross-section calculations, a comparison between calculated values with the available experimental data were carried out. An overall agreement is indicated with an accuracy sufficient for determine the neutron transmission characteristics

  13. How sensitive are nanosecond molecular dynamics simulations of proteins to changes in the force field?

    NARCIS (Netherlands)

    Villa, Alessandra; Fan, Hao; Wassenaar, Tsjerk; Mark, Alan E.

    2007-01-01

    The sensitivity of molecular dynamics simulations to variations in the force field has been examined in relation to a set of 36 structures corresponding to 31 proteins simulated by using different versions of the GROMOS force field. The three parameter sets used (43a1, 53a5, and 53a6) differ

  14. Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose Iâ

    Science.gov (United States)

    Fernando L. Dri; Xiawa Wu; Robert J. Moon; Ashlie Martini; Pablo D. Zavattieri

    2015-01-01

    Molecular dynamics simulation is commonly used to study the properties of nanocellulose-based materials at the atomic scale. It is well known that the accuracy of these simulations strongly depends on the force field that describes energetic interactions. However, since there is no force field developed specifically for cellulose, researchers utilize models...

  15. Force-field dependence of the conformational properties of ,-dimethoxypolyethylene glycol

    NARCIS (Netherlands)

    Winger, Moritz; de Vries, Alex H.; van Gunsteren, Wilfred F.

    2009-01-01

    A molecular dynamics (MD) study of ,-dimethoxypolyethylene glycol has been carried out under various conditions with respect to solvent composition, ionic strength, chain length, force field and temperature. A previous MD study on a 15-mer of polyethyleneglycol (PEG) suggested a helical equilibrium

  16. Understanding the Growth Mechanism of GaN Epitaxial Layers on Mechanically Exfoliated Graphite.

    Science.gov (United States)

    Li, Tianbao; Liu, Chenyang; Zhang, Zhe; Yu, Bin; Dong, Hailiang; Jia, Wei; Jia, Zhigang; Yu, Chunyan; Gan, Lin; Xu, Bingshe; Jiang, Haiwei

    2018-04-27

    The growth mechanism of GaN epitaxial layers on mechanically exfoliated graphite is explained in detail based on classic nucleation theory. The number of defects on the graphite surface can be increased via O-plasma treatment, leading to increased nucleation density on the graphite surface. The addition of elemental Al can effectively improve the nucleation rate, which can promote the formation of dense nucleation layers and the lateral growth of GaN epitaxial layers. The surface morphologies of the nucleation layers, annealed layers and epitaxial layers were characterized by field-emission scanning electron microscopy, where the evolution of the surface morphology coincided with a 3D-to-2D growth mechanism. High-resolution transmission electron microscopy was used to characterize the microstructure of GaN. Fast Fourier transform diffraction patterns showed that cubic phase (zinc-blend structure) GaN grains were obtained using conventional GaN nucleation layers, while the hexagonal phase (wurtzite structure) GaN films were formed using AlGaN nucleation layers. Our work opens new avenues for using highly oriented pyrolytic graphite as a substrate to fabricate transferable optoelectronic devices.

  17. Efficient nonparametric n -body force fields from machine learning

    Science.gov (United States)

    Glielmo, Aldo; Zeni, Claudio; De Vita, Alessandro

    2018-05-01

    We provide a definition and explicit expressions for n -body Gaussian process (GP) kernels, which can learn any interatomic interaction occurring in a physical system, up to n -body contributions, for any value of n . The series is complete, as it can be shown that the "universal approximator" squared exponential kernel can be written as a sum of n -body kernels. These recipes enable the choice of optimally efficient force models for each target system, as confirmed by extensive testing on various materials. We furthermore describe how the n -body kernels can be "mapped" on equivalent representations that provide database-size-independent predictions and are thus crucially more efficient. We explicitly carry out this mapping procedure for the first nontrivial (three-body) kernel of the series, and we show that this reproduces the GP-predicted forces with meV /Å accuracy while being orders of magnitude faster. These results pave the way to using novel force models (here named "M-FFs") that are computationally as fast as their corresponding standard parametrized n -body force fields, while retaining the nonparametric character, the ease of training and validation, and the accuracy of the best recently proposed machine-learning potentials.

  18. Determination of Cl-36 in Irradiated Reactor Graphite

    International Nuclear Information System (INIS)

    Beer, H.-F.; Schumann, D.; Stowasser, T.; Hartmann, E.; Kramer, A.

    2016-01-01

    Two of the three research reactors at the Paul Scherrer Institute (PSI), the reactors DIORIT and PROTEUS, contained reactor graphite. Whereas the former research reactor DIORIT has been dismantled completely the PROTEUS is subject to a future decommissioning. In case of the DIORIT the reactor graphite was conditioned applying a procedure developed at PSI. In this case the 36 Cl content had to be determined after the conditioning. The result is reported in this paper. The radionuclide inventory including 36 Cl of the graphite used in PROTEUS was measured and the results are reported in here. It has been proven that the graphite from PROTEUS has a radionuclide inventory near the detection limits. All determined radionuclide activities are far below the Swiss exemptions limits. The graphite from PROTEUS therefore poses no radioactive waste. In contrast, the 36 Cl content of graphite from DIORIT is well above the exemption limits. (author)

  19. Force field inside the void in complex plasmas under microgravity conditions

    International Nuclear Information System (INIS)

    Kretschmer, M.; Khrapak, S.A.; Zhdanov, S.K.; Thomas, H.M.; Morfill, G.E.; Fortov, V.E.; Lipaev, A.M.; Molotkov, V.I.; Ivanov, A.I.; Turin, M.V.

    2005-01-01

    Observations of complex plasmas under microgravity conditions onboard the International Space Station performed with the Plasma-Kristall experiment-Nefedov facility are reported. A weak instability of the boundary between the central void (region free of microparticles) and the microparticle cloud is observed at low gas pressures. The instability leads to periodic injections of a relatively small number of particles into the void region (by analogy this effect is called the 'trampoline effect'). The trajectories of injected particles are analyzed providing information on the force field inside the void. The experimental results are compared with theory which assumes that the most important forces inside the void are the electric and the ion drag forces. Good agreement is found clearly indicating that under conditions investigated the void formation is caused by the ion drag force

  20. Temperature distribution in graphite during annealing in air cooled reactors

    International Nuclear Information System (INIS)

    Oliveira Avila, C.R. de.

    1989-01-01

    A model for the evaluation temperature distributions in graphite during annealing operation in graphite. Moderated an-cooled reactors, is presented. One single channel and one dimension for air and graphite were considered. A numerical method based on finite control volumes was used for partioning the mathematical equations. The problem solution involves the use of unsteady equations of mass, momentum and energy conservation for air, and energy conservation for graphite. The source term was considered as stored energy release during annealing for describing energy conservation in the graphite. The coupling of energy conservation equations in air and graphite is performed by the heat transfer term betwen air and graphite. The results agree with experimental data. A sensitivity analysis shown that the termal conductivity of graphite and the maximum inlet channel temperature have great effect on the maximum temperature reached in graphite during the annealing. (author)

  1. Acceptance test for graphite components and construction status of HTTR

    International Nuclear Information System (INIS)

    Iyoku, T.; Ishihara, M.; Maruyama, S.; Shiozawa, S.; Tsuji, N.; Miki, T.

    1996-01-01

    In March, 1991, the Japan Atomic Energy Research Institute (JAERI) started to constructed the High Temperature engineering Test Reactor(HTTR) which is a 30-MW(thermal) helium gas-cooled reactor with a core composed of prismatic graphite blocks piled on the core support graphite structures. Two types of graphite materials are used in the HTTR. One is the garde IG-110, isotropic fine grain graphite, another is the grade PGX, medium-to-fine grained molded graphite. These materials were selected on the basis of the appropriate properties required by the HTTR reactor design. Industry-wide standards for an acceptance test of graphite materials used as main components of a nuclear reactor had not been established. The acceptance standard for graphite components of the HTTR, therefore, was drafted by JAERI and reviewed by specialists outside JAERI. The acceptance standard consists of the material testing, non-destructive examination such as the ultrasonic and eddy current testings, dimensional and visual inspections and assembly test. Ultrasonic and eddy current testings are applied to graphite logs to detect an internal flaw and to graphite components to detect a surface flaw, respectively. The assembly test is performed at the works, prior to their installation in the reactor pressure vessel, to examine fabricating precision of each component and alignment of piled-up structures. The graphite components of the HTTR had been tested on the basis of the acceptance standard. It was confirmed that the graphite manufacturing process was well controlled and high quality graphite components were provided to the HTTR. All graphite components except for the fuel graphite blocks are to be installed in the reactor pressure vessel of the HTTR in September 1995. The paper describes the construction status of the HTTR focusing on the graphite components. The acceptance test results are also presented in this paper. (author). Figs

  2. Nanostructured carbon films with oriented graphitic planes

    International Nuclear Information System (INIS)

    Teo, E. H. T.; Kalish, R.; Kulik, J.; Kauffmann, Y.; Lifshitz, Y.

    2011-01-01

    Nanostructured carbon films with oriented graphitic planes can be deposited by applying energetic carbon bombardment. The present work shows the possibility of structuring graphitic planes perpendicular to the substrate in following two distinct ways: (i) applying sufficiently large carbon energies for deposition at room temperature (E>10 keV), (ii) utilizing much lower energies for deposition at elevated substrate temperatures (T>200 deg. C). High resolution transmission electron microscopy is used to probe the graphitic planes. The alignment achieved at elevated temperatures does not depend on the deposition angle. The data provides insight into the mechanisms leading to the growth of oriented graphitic planes under different conditions.

  3. Principle design and data of graphite components

    International Nuclear Information System (INIS)

    Ishihara, Masahiro; Sumita, Junya; Shibata, Taiju; Iyoku, Tatsuo; Oku, Tatsuo

    2004-01-01

    The High Temperature Engineering Test Reactor (HTTR) constructed by Japan Atomic Energy Research Institute (JAERI) is a graphite-moderated and helium-gas-cooled reactor with prismatic fuel elements of hexagonal blocks. The reactor internal structures of the HTTR are mainly made up of graphite components. As well known, the graphite is a brittle material and there were no available design criteria for brittle materials. Therefore, JAERI had to develop the design criteria taking account of the brittle fracture behavior. In this paper, concept and key specification of the developed graphite design criteria is described, and also an outline of the quality control specified in the design criteria is mentioned

  4. Technique for production of graphite-carbon products

    Energy Technology Data Exchange (ETDEWEB)

    Antonov, A.N.; Bentsianovskaya, I.A.; Filatova, V.A.; Nabokov, V.S.; Nestor, V.P.; Zil' bergleyt, I.M.

    1982-01-01

    The technique for producing carbon-graphite products that includes filtration under a pressure of 0.1-015 MPa (through graphite stock) of an aqueous carbon material with the addition of surfactant, drying, and subsequent thermal treatment, is simplified and made less lengthy. Oxidized graphite is utilized with a prior addition of 1-10% water-soluble organic substance into the suspension -molasses, hemicellulose, sugar or polyacrylamide. A 0.03-1.5% suspension of oxidized graphite is utilized, with a particle size of 0.02-0.1 mkm. Thermal processing is done in a carbon fill, at a rate of 10-20 degrees/hour to 700-800/sup 0/, maintained 2-3 hours.

  5. Nonlinear gravitational self-force: Field outside a small body

    Science.gov (United States)

    Pound, Adam

    2012-10-01

    A small extended body moving through an external spacetime gαβ creates a metric perturbation hαβ, which forces the body away from geodesic motion in gαβ. The foundations of this effect, called the gravitational self-force, are now well established, but concrete results have mostly been limited to linear order. Accurately modeling the dynamics of compact binaries requires proceeding to nonlinear orders. To that end, I show how to obtain the metric perturbation outside the body at all orders in a class of generalized wave gauges. In a small buffer region surrounding the body, the form of the perturbation can be found analytically as an expansion for small distances r from a representative worldline. Given only a specification of the body’s multipole moments, the field obtained in the buffer region suffices to find the metric everywhere outside the body via a numerical puncture scheme. Following this procedure at first and second order, I calculate the field in the buffer region around an arbitrarily structured compact body at sufficiently high order in r to numerically implement a second-order puncture scheme, including effects of the body’s spin. I also define nth-order (local) generalizations of the Detweiler-Whiting singular and regular fields and show that in a certain sense, the body can be viewed as a skeleton of multipole moments.

  6. Dynamics of graphite flake on a liquid

    Science.gov (United States)

    Miura, K.; Tsuda, D.; Kaneta, Y.; Harada, R.; Ishikawa, M.; Sasaki, N.

    2006-11-01

    One-directional motion, where graphite flakes are driven by a nanotip on an octamethylcyclotetrasiloxane (OMCTS) liquid surface, is presented. A transition from quasiperiodic to chaotic motions occurs in the dynamics of a graphite flake when its velocity is increased. The dynamics of graphite flakes pulled by the nanotip on an OMCTS liquid surface can be treated as that of a nanobody on a liquid.

  7. A systematic study of acoustic emission from nuclear graphites

    International Nuclear Information System (INIS)

    Neighbour, G.B.; McEnaney, B.

    1996-01-01

    Acoustic emission (AE) monitoring has been identified as a possible method to determine internal stresses in nuclear graphites using the Kaiser effect, i.e., on stressing a graphite that has been subject to a prior stress, the onset of AE occurs at the previous peak stress. For three nuclear graphites (PGA, IM1-24 and VNEC), AE was monitored during both monotonic and cyclic loading to failure in tensile, compressive and flexural test modes. For unirradiated graphites, the Kaiser effect was not found in cyclic loading, but a Felicity effect was observed, i.e., the onset of AE occurred below the previously applied peak stress. The Felicity effect was attributed to time-dependent relaxation and recovery processes and was characterized using a new parameter, the Recovery ratio. It was shown that AE can be used to monitor creep strain and creep recovery in graphites at zero load. The AE-time responses from these experiments were fitted to equations similar to those used for creep strain-time at elevated temperatures. The number of AE counts from irradiated graphites were greater than those from unirradiated graphites, subject to similar stresses, due to increases in porosity caused by radiolytic oxidation. A Felicity effect was also observed on cyclic loading of irradiated graphites, but no evidence for a Kaiser effect was found for irradiated graphites loaded monotonically to failure. Thus internal stresses in irradiated graphites could not be measured using AE. This was attributed to relaxation and recovery processes that occur between removing the irradiated graphite from the reactor and AE testing. This work indicated that AE monitoring is not a suitable technique for measuring internal stresses in irradiated graphite. (author). 19 refs, 6 figs, 6 tabs

  8. Leveraging intellectual capital through Lewin's Force Field Analysis: The case of software development companies

    Directory of Open Access Journals (Sweden)

    Alexandru Capatina

    2017-09-01

    Full Text Available This article presents an original conceptual framework for the strategic management of intellectual capital assets in software development companies. The framework is based on Lewin's Force Field Analysis. The framework makes it possible to assess software company managers’ opinions regarding the way driving and restraining forces affect the pillars of intellectual capital. The capacity to adapt to change is vital for companies in knowledge-intensive industries. Accordingly, this study examined a sample of 74 Romanian software development companies. The aim was to help companies benefit from managing the driving and restraining forces acting upon the pillars of intellectual capital (human, structural, and relational. The effects of the driving forces, quantified by PathMaker software's Force Field Tool, were observed to be greater than the restraining forces for each pillar of intellectual capital. This paper contributes by showing the explanatory power of this framework. The framework thus offers a tool that helps managers drive change in their organizations through effective intellectual capital management. Furthermore, this article describes how to encourage the implementation of changes that create value for software development companies.

  9. Measurements of anomalous neutron transport in bulk graphite

    International Nuclear Information System (INIS)

    Bowman, C.D.; Smith, G.A.; Vogelaar, B.; Howell, C.R.; Bilpuch, E.G.; Tornow, W.

    2003-01-01

    The neutron absorption of bulk granular graphite has been measured in a classical exponential diffusion experiment. Our first measurements of April 2002 implementing both exponential decay and pulsed die-away experiments and using the TUNL pulsed accelerator at Duke University as a neutron source indicated a capture cross section for graphite a striking factor of three lower than the measured value for carbon of 3.4 millibarns. Therefore a new exponential experiment with an improved geometry enabling greater accuracy has been performed giving an apparent cross section for carbon in the form of bulk granular graphite of less than 0.5 millibarns. This result confirms our first result and is also consistent with less than one part per million of boron in our graphite. The bulk density of the graphite is 1.02 compared with the actual particle density of 1.60 indicating a packing fraction of 0.64 or a void fraction of 0.36. We suspect that the apparent suppression of absorption in bulk graphite may be associated with the strong coherent diffraction of neutrons that dominates neutron transport in graphite. Coherent diffraction has never been taken into account in graphite reactor design and no neutron transport code including general use codes such as MCNP incorporate diffraction effects even though diffraction dominates many practical thermal neutron transport problems. (orig.)

  10. Technical development of graphite waste treatment in NUPEC

    International Nuclear Information System (INIS)

    Saishu, S.; Inoue, T.

    2001-01-01

    In Japan, Tokai Power Station, which is a Gas Cooled Reactor and uses graphite as moderator, ceased operation at the end of March in 1998 and it is planned to transfer to decommissioning stage. In this decommissioning stage it is very important to be able to treat and dispose the graphite waste in order to carry out the decommissioning safely and economically. NUPEC has been developing the graphite treatment and disposal technology since 1997 and we introduce the outline of the technical development. For the technology on high density packing into disposal container, the high density packing method and the assessment method on nuclide leaching characteristics were developed, and the cementing test for graphite powder by using Tokai spare graphite was performed and the hydrophobic characteristics between graphite and cement was grasped and the accelerator candidature for affinity was selected. From the view point of economical treatment, the incinerating technology was selected as candidature, and the methods for incinerating graphite and treating off gas are developed. The method of collecting C-14 in off gas was selected for reducing the off gas radiation level. The applicability of actual graphite treatment technology was considered from the view point of safety, economics and preparation of technical standard; the technical theme appeared, the developing planning items were established, and the detailed and actual scale tests will be carried out according to the planning. (author)

  11. Measurements of anomalous neutron transport in bulk graphite

    Energy Technology Data Exchange (ETDEWEB)

    Bowman, C.D.; Smith, G.A. [ADNA Corp., Los Alamos, NM (United States); Vogelaar, B. [Virginia Tech., Blacksburg, VA (United States); Howell, C.R.; Bilpuch, E.G.; Tornow, W. [Triangle Univ. Nuclear Lab., Duke Univ., Durham, NC (United States)

    2003-07-01

    The neutron absorption of bulk granular graphite has been measured in a classical exponential diffusion experiment. Our first measurements of April 2002 implementing both exponential decay and pulsed die-away experiments and using the TUNL pulsed accelerator at Duke University as a neutron source indicated a capture cross section for graphite a striking factor of three lower than the measured value for carbon of 3.4 millibarns. Therefore a new exponential experiment with an improved geometry enabling greater accuracy has been performed giving an apparent cross section for carbon in the form of bulk granular graphite of less than 0.5 millibarns. This result confirms our first result and is also consistent with less than one part per million of boron in our graphite. The bulk density of the graphite is 1.02 compared with the actual particle density of 1.60 indicating a packing fraction of 0.64 or a void fraction of 0.36. We suspect that the apparent suppression of absorption in bulk graphite may be associated with the strong coherent diffraction of neutrons that dominates neutron transport in graphite. Coherent diffraction has never been taken into account in graphite reactor design and no neutron transport code including general use codes such as MCNP incorporate diffraction effects even though diffraction dominates many practical thermal neutron transport problems. (orig.)

  12. Nuclear graphite waste management. Proceedings of a technical committee meeting

    International Nuclear Information System (INIS)

    2001-05-01

    The purpose of the seminar was to bring together the specialists dealing with various aspects of radioactive graphite waste management to exchange and review information on the decommissioning, characterisation, processing and disposal of irradiated graphite from reactor cores and other graphite waste associated with reactor operation. The seminar covered radioactive graphite characterisation, the effect of irradiation on graphite components, Wigner energy, radioactive graphite waste treatment, conditioning, interim storage and long term disposal options. Individual papers presented at the seminar were indexed separately

  13. Low cost sic coated erosion resistant graphite

    International Nuclear Information System (INIS)

    Zafar, M.F.; Nicholls, J.R.

    2007-01-01

    The development of materials with unique and improved properties using low cost processes is essential to increase performance and reduce cost of the solid rocket motors. Specifically advancements are needed for boost phase nozzle. As these motors operate at very high pressure and temperatures, the nozzle must survive high thermal stresses with minimal erosion to maintain performance. Currently three material choices are being exploited; which are refractory metals, graphite and carbon-carbon composites. Of these three materials graphite is the most attractive choice because of its low cost, light weight, and easy forming. However graphite is prone to erosion, both chemical and mechanical, which may affect the ballistic conditions and mechanical properties of the nozzle. To minimize this erosion high density graphite is usually preferred; which is again very expensive. Another technique used to minimize the erosion is Pyrolytic Graphite (PG) coating inside the nozzle. However PG coating is prone to cracking and spallation along with very cumbersome deposition process. Another possible methodology to avoid this erosion is to convert the inside surface of the rocket nozzle to Silicon Carbide (SiC), which is very erosion resistant and have much better thermal stability compared to graphite and even PG. Due to its functionally gradient nature such a layer will be very adherent and resistant to spallation. The current research is focused on synthesizing, characterizing and oxidation testing of such a converted SiC layer on commercial grade graphite. (author)

  14. Analysis of electrochemical disintegration process of graphite matrix

    International Nuclear Information System (INIS)

    Tian Lifang; Wen Mingfen; Chen Jing

    2010-01-01

    The electrochemical method with ammonium nitrate as electrolyte was studied to disintegrate the graphite matrix from the simulative fuel elements for high temperature gas-cooled reactor. The influences of process parameters, including salt concentration, system temperature and current density, on the disintegration rate of graphite fragments were investigated in the present work. The experimental results showed that the disintegration rate depended slightly on the temperature and salt concentration. The current density strongly affected the disintegration rate of graphite fragments. Furthermore, the content of introduced oxygen in final graphite fragments was independent of the current density and the concentration of electrolyte. Moreover, the structural evolution of graphite was analyzed based on the microstructural parameters determined by X-ray diffraction profile fitting analysis using MAUD (material analysis using diffraction) before and after the disintegration process. It may safely be concluded that the graphite disintegration can be ascribed to the influences of the intercalation of foreign molecules in between crystal planes and the partial oxidation involved. The disintegration process was described deeply composed of intercalate part and further oxidation part of carbon which effected together to lead to the collapse of graphite crystals.

  15. Surface coating of graphite pebbles for Korean HCCR TBM

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Youngmin [National Fusion Research Institute, Daejeon (Korea, Republic of); Yun, Young-Hoon, E-mail: yunh2@dsu.ac.kr [Dongshin University, Naju (Korea, Republic of); Park, Yi-Hyun; Ahn, Mu-Young; Cho, Seungyon [National Fusion Research Institute, Daejeon (Korea, Republic of)

    2014-10-15

    Highlights: • A CVR-SiC coating was successfully formed on graphite pebbles for neutron reflector. • Dense and fine-grained surface morphologies of the SiC coatings were observed. • Oxidation resistance of the CVR-SiC-coated graphite pebbles was improved. - Abstract: The new concept of the recently modified Helium-Cooled Ceramic Reflector (HCCR) Test Blanket Module (TBM) is to adopt a graphite reflector in the form of a pebble bed. A protective SiC coating is applied to the graphite pebbles to prohibit their reaction with steam or air as well as dust generation during TBM operation. In this research, the chemical vapor reaction (CVR) method was applied to fabricate SiC-coated graphite pebbles in a silica source. Relatively dense CVR-SiC coating was successfully formed on the graphite pebbles through the reduction of the graphite phase with SiO gas that was simply created from the silica source at 1850 °C (2 h). The microstructural features, XRD patterns, pore-size distribution and oxidation behavior of the SiC-coated graphite pebbles were investigated. To develop the practical process, which will be applied for mass production hereafter, a novel alternative method was applied to form the layer of SiC coating on the graphite pebbles over the silica source.

  16. Surface coating of graphite pebbles for Korean HCCR TBM

    International Nuclear Information System (INIS)

    Lee, Youngmin; Yun, Young-Hoon; Park, Yi-Hyun; Ahn, Mu-Young; Cho, Seungyon

    2014-01-01

    Highlights: • A CVR-SiC coating was successfully formed on graphite pebbles for neutron reflector. • Dense and fine-grained surface morphologies of the SiC coatings were observed. • Oxidation resistance of the CVR-SiC-coated graphite pebbles was improved. - Abstract: The new concept of the recently modified Helium-Cooled Ceramic Reflector (HCCR) Test Blanket Module (TBM) is to adopt a graphite reflector in the form of a pebble bed. A protective SiC coating is applied to the graphite pebbles to prohibit their reaction with steam or air as well as dust generation during TBM operation. In this research, the chemical vapor reaction (CVR) method was applied to fabricate SiC-coated graphite pebbles in a silica source. Relatively dense CVR-SiC coating was successfully formed on the graphite pebbles through the reduction of the graphite phase with SiO gas that was simply created from the silica source at 1850 °C (2 h). The microstructural features, XRD patterns, pore-size distribution and oxidation behavior of the SiC-coated graphite pebbles were investigated. To develop the practical process, which will be applied for mass production hereafter, a novel alternative method was applied to form the layer of SiC coating on the graphite pebbles over the silica source

  17. Development of integrated waste management options for irradiated graphite

    Energy Technology Data Exchange (ETDEWEB)

    Wareing, Alan; Abrahamsen-Mills, Liam; Fowler, Linda; Jarvis, Richard; Banford, Anthony William [National Nuclear Laboratory, Warrington (United Kingdom); Grave, Michael [Doosan Babcock, Gateshead (United Kingdom); Metcalfe, Martin [National Nuclear Laboratory, Gloucestershire (United Kingdom); Norris, Simon [Radioactive Waste Management Limited, Oxon (United Kingdom)

    2017-08-15

    The European Treatment and Disposal of Irradiated Graphite and other Carbonaceous Waste project sought to develop best practices in the retrieval, treatment, and disposal of irradiated graphite including other irradiated carbonaceous waste such as structural material made of graphite, nongraphitized carbon bricks, and fuel coatings. Emphasis was given on legacy irradiated graphite, as this represents a significant inventory in respective national waste management programs. This paper provides an overview of the characteristics of graphite irradiated during its use, primarily as a moderator material, within nuclear reactors. It describes the potential techniques applicable to the retrieval, treatment, recycling/reuse, and disposal of these graphite wastes. Considering the lifecycle of nuclear graphite, from manufacture to final disposal, a number of waste management options have been developed. These options consider the techniques and technologies required to address each stage of the lifecycle, such as segregation, treatment, recycle, and ultimate disposal in a radioactive waste repository, providing a toolbox to aid operators and regulators to determine the most appropriate management strategy. It is noted that national waste management programs currently have, or are in the process of developing, respective approaches to irradiated graphite management. The output of the Treatment and Disposal of Irradiated Graphite and other Carbonaceous Waste project is intended to aid these considerations, rather than dictate them.

  18. A experimental system for the checking of the absorption of E.C.A.G. graphite; Empilement pour le controle du graphite E.C.A.G

    Energy Technology Data Exchange (ETDEWEB)

    Raievski, V; Vidal, R [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1958-07-01

    A system is described for measuring the mean absorption cross section in thermal neutrons of graphite. This system consists of a graphite stack containing a Ra-Be source and a BF3 counter. A cavity in the stack receives the graphite to be studied or the graphite standard. By comparing the counting rates their absorption ratio can be deduced. The measurement is performed on graphite rods which have been machined before being placed in the pile. It provides the possibility of detecting over a batch of 1 ton of graphite, in a single measurement, a difference in absorption of 0.1 milli barn. (author) [French] On decrit un dispositif permettant de mesurer la section efficace moyenne d'absorption en neutrons thermiques du graphite. Ce dispositif est constitue par un empilement de graphite contenant une source de Ra-Be et un compteur a BF3. Une cavite menagee dans l'empilement peut recevoir le graphite a etudier ou le graphite etalon. Par comparaison des taux de comptage, on en deduit leur rapport d'absorption. La mesure est effectuee sur des barres de graphite usinees avant leur mise en place dans la pile. Elle permet de deceler sur un lot de graphite de 1 tonne, en une seule mesure, une difference d'absorption de 0,1 millibarn. (auteur)

  19. Ion irradiated graphite exposed to fusion-relevant deuterium plasma

    International Nuclear Information System (INIS)

    Deslandes, Alec; Guenette, Mathew C.; Corr, Cormac S.; Karatchevtseva, Inna; Thomsen, Lars; Ionescu, Mihail; Lumpkin, Gregory R.; Riley, Daniel P.

    2014-01-01

    Graphite samples were irradiated with 5 MeV carbon ions to simulate the damage caused by collision cascades from neutron irradiation in a fusion environment. The ion irradiated graphite samples were then exposed to a deuterium plasma in the linear plasma device, MAGPIE, for a total ion fluence of ∼1 × 10 24 ions m −2 . Raman and near edge X-ray absorption fine structure (NEXAFS) spectroscopy were used to characterize modifications to the graphitic structure. Ion irradiation was observed to decrease the graphitic content and induce disorder in the graphite. Subsequent plasma exposure decreased the graphitic content further. Structural and surface chemistry changes were observed to be greatest for the sample irradiated with the greatest fluence of MeV ions. D retention was measured using elastic recoil detection analysis and showed that ion irradiation increased the amount of retained deuterium in graphite by a factor of four

  20. Large-scale preparation of hollow graphitic carbon nanospheres

    International Nuclear Information System (INIS)

    Feng, Jun; Li, Fu; Bai, Yu-Jun; Han, Fu-Dong; Qi, Yong-Xin; Lun, Ning; Lu, Xi-Feng

    2013-01-01

    Hollow graphitic carbon nanospheres (HGCNSs) were synthesized on large scale by a simple reaction between glucose and Mg at 550 °C in an autoclave. Characterization by X-ray diffraction, Raman spectroscopy and transmission electron microscopy demonstrates the formation of HGCNSs with an average diameter of 10 nm or so and a wall thickness of a few graphenes. The HGCNSs exhibit a reversible capacity of 391 mAh g −1 after 60 cycles when used as anode materials for Li-ion batteries. -- Graphical abstract: Hollow graphitic carbon nanospheres could be prepared on large scale by the simple reaction between glucose and Mg at 550 °C, which exhibit superior electrochemical performance to graphite. Highlights: ► Hollow graphitic carbon nanospheres (HGCNSs) were prepared on large scale at 550 °C ► The preparation is simple, effective and eco-friendly. ► The in situ yielded MgO nanocrystals promote the graphitization. ► The HGCNSs exhibit superior electrochemical performance to graphite.

  1. Calculated bond properties of K adsorbed on graphite

    International Nuclear Information System (INIS)

    Hjortstam, O.; Wills, J.M.; Johansson, B.; Eriksson, O.

    1998-01-01

    The properties of the chemical bond of K adsorbed on a graphite(0001) surface have been studied for different coverages, by means of a full-potential slab method. Specific modifications of the Hamiltonian are performed in order to make it possible to study K on graphite in the disperse phase (dilute limit). It is found that K forms a metallic state when covering a graphite surface with a (2x2) coverage. For a (3x3) coverage as well as in the disperse phase K is found to form an ionic bond with graphite. It is shown that in the disperse phase, the hybridization between the K 4s level and graphite is weak. Our findings are consistent with recent experiments. Furthermore the cohesive energies of K adsorption on graphite are found to be larger in the (2x2) coverage compared to the (3x3) coverage. copyright 1998 The American Physical Society

  2. Enhanced and selective optical trapping in a slot-graphite photonic crystal.

    Science.gov (United States)

    Krishnan, Aravind; Huang, Ningfeng; Wu, Shao-Hua; Martínez, Luis Javier; Povinelli, Michelle L

    2016-10-03

    Applicability of optical trapping tools for nanomanipulation is limited by the available laser power and trap efficiency. We utilized the strong confinement of light in a slot-graphite photonic crystal to develop high-efficiency parallel trapping over a large area. The stiffness is 35 times higher than our previously demonstrated on-chip, near field traps. We demonstrate the ability to trap both dielectric and metallic particles of sub-micron size. We find that the growth kinetics of nanoparticle arrays on the slot-graphite template depends on particle size. This difference is exploited to selectively trap one type of particle out of a binary colloidal mixture, creating an efficient optical sieve. This technique has rich potential for analysis, diagnostics, and enrichment and sorting of microscopic entities.

  3. Low-energy electron observation of graphite and molybdenite crystals. Application to the study of graphite oxidation; Observation au moyen d'electrons de faible energie de cristaux de graphite et de molybdenite. Application a l'etude de l'oxydation du graphite

    Energy Technology Data Exchange (ETDEWEB)

    David, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    The LEED study of cleaved (0001) faces of crystals having a layered structure allowed to investigate flakes free of steps on graphite and molybdenite, to show twinning on natural graphite. By intensity measurements and computation in the case of a kinematical approximation it has been possible to determine an inner potential of 19 eV for graphite and to identify the direction of the Mo-S bond of the surface layer of molybdenite. The oxidation of graphite has been studied by observing changes, in symmetry of the diffraction patterns and by mass spectrometry of the gases evolved during the oxidation. No surface compounds have been detected and the carbon layers appeared to be peeled off one after the other. The oxidation took place at temperatures higher than 520 C under an oxygen pressure of 10{sup -5} torr. (author) [French] L'etude par diffraction des electrons lents des faces (0001) de cristaux ayant une structure en feuillet a permis de mettre en evidence des plages sans gradins sur des clivages de graphite et de molybdenite caracterisees par la symetrie ternaire des diagrammes, de montrer l'existence de macles sur des cristaux de graphite naturel. Un calcul utilisant une approximation cinematique a ete applique aux intensites mesurees des taches de diffraction; il a ete ainsi possible de determiner un potentiel interne de 19 eV pour le graphite et de preciser la direction de la liaison Mo-S du feuillet superficiel de la molybdenite. L'oxydation du graphite a ete etudiee en mettant en relation des changements de symetrie des diagrammes de diffraction avec l'analyse des gaz provenant de la reaction carbone-oxygene. Il a ete montre qu'il n'y avait pas formation de composes de surface et que les couches de carbone etaient enlevees les unes apres les autres. L'oxydation a ete observee sous une pression d'oxygene de 10{sup -5} torr au-dessus de 520 C. (auteur)

  4. Graphite selection for the FMIT test cell

    International Nuclear Information System (INIS)

    Morgan, W.C.

    1982-06-01

    This document provides the basis for procuring a grade of graphite, at minimum cost, having minimum dimensional changes at low irradiation temperatures (nominal range 90 to 140 0 C). In light of those constraints, the author concludes that the most feasible approach is to attempt to reproduce a grade of graphite (TSGBF) which has exhibited a high degree of dimensional stability during low-temperature irradiations and on which irradiation-induced changes in other physical properties have been measured. The effects of differences in raw materials, especially coke morphology, and processing conditions, primarily graphitization temperture are briefly reviewed in terms of the practicality of producing a new grade of graphite with physical properties and irradiation-induced changes which would be very similar to those of TSGBF graphite. The production history and physical properties of TSGBF are also reviewed; no attempt is made, to project changes in dimensions or physical properties under the projected irradiation conditions

  5. The Quantum Space Phase Transitions for Particles and Force Fields

    Directory of Open Access Journals (Sweden)

    Chung D.-Y.

    2006-07-01

    Full Text Available We introduce a phenomenological formalism in which the space structure is treated in terms of attachment space and detachment space. Attachment space attaches to an object, while detachment space detaches from the object. The combination of these spaces results in three quantum space phases: binary partition space, miscible space and binary lattice space. Binary lattice space consists of repetitive units of alternative attachment space and detachment space. In miscible space, attachment space is miscible to detachment space, and there is no separation between attachment space and detachment spaces. In binary partition space, detachment space and attachment space are in two separat continuous regions. The transition from wavefunction to the collapse of wavefuction under interference becomes the quantum space phase transition from binary lattice space to miscible space. At extremely conditions, the gauge boson force field undergoes a quantum space phase transition to a "hedge boson force field", consisting of a "vacuum" core surrounded by a hedge boson shell, like a bubble with boundary.

  6. Molecular modeling studies of structural properties of polyvinyl alcohol: a comparative study using INTERFACE force field.

    Science.gov (United States)

    Radosinski, Lukasz; Labus, Karolina

    2017-10-05

    Polyvinyl alcohol (PVA) is a material with a variety of applications in separation, biotechnology, and biomedicine. Using combined Monte Carlo and molecular dynamics techniques, we present an extensive comparative study of second- and third-generation force fields Universal, COMPASS, COMPASS II, PCFF, and the newly developed INTERFACE, as applied to this system. In particular, we show that an INTERFACE force field provides a possibility of composing a reliable atomistic model to reproduce density change of PVA matrix in a narrow temperature range (298-348 K) and calculate a thermal expansion coefficient with reasonable accuracy. Thus, the INTERFACE force field may be used to predict mechanical properties of the PVA system, being a scaffold for hydrogels, with much greater accuracy than latter approaches. Graphical abstract Molecular Dynamics and Monte Carlo studies indicate that it is possible to predict properties of the PVA in narrow temperature range by using the INTERFACE force field.

  7. Irradiation Creep in Graphite

    Energy Technology Data Exchange (ETDEWEB)

    Ubic, Rick; Butt, Darryl; Windes, William

    2014-03-13

    An understanding of the underlying mechanisms of irradiation creep in graphite material is required to correctly interpret experimental data, explain micromechanical modeling results, and predict whole-core behavior. This project will focus on experimental microscopic data to demonstrate the mechanism of irradiation creep. High-resolution transmission electron microscopy should be able to image both the dislocations in graphite and the irradiation-induced interstitial clusters that pin those dislocations. The team will first prepare and characterize nanoscale samples of virgin nuclear graphite in a transmission electron microscope. Additional samples will be irradiated to varying degrees at the Advanced Test Reactor (ATR) facility and similarly characterized. Researchers will record microstructures and crystal defects and suggest a mechanism for irradiation creep based on the results. In addition, the purchase of a tensile holder for a transmission electron microscope will allow, for the first time, in situ observation of creep behavior on the microstructure and crystallographic defects.

  8. Plastic strain caused by contraction of pores in polycrystalline graphites

    International Nuclear Information System (INIS)

    Ioka, Ikuo; Yoda, Shinichi; Konishi, Takashi.

    1989-01-01

    The effects of porosity on mechanical properties and deformation behavior of four isotropic polycrystalline graphites were studied. The pore size distributions of the graphites were measured using a conventional mercury penetration technique. The average pore radius of ISO-88 graphite was about one-tenth of that of ISEM-1, IG-11 or IG-15 graphites. Young's modulus of the graphites decreased with increasing porosity. The stress-strain curve of each graphite was measured in its lateral and axial directions. Young's modulus of graphite decreased with increasing load. The plastic strain at a given compressive load was calculated from the stress-strain curve and the initial gradient of the unloading curve at the load. The ratio of lateral plastic strain to axial plastic strain for the graphites was less than 0.5, indicating that the volume of the graphites decreased during compressive loading. By assuming that the volume change was caused by contraction of pores, plastic strain associated with contraction of pores was calculated from the axial plastic strain and lateral plastic strain by slips along the basal planes. The plastic strain increased with increasing axial plastic strain and porosity of graphite. (author)

  9. Study on graphite samples for nuclear usage

    International Nuclear Information System (INIS)

    Suarez, J.C.M.; Silva Roseira, M. da

    1994-01-01

    Available as short communication only. The graphite, due to its properties (mechanical strength, thermal conductivity, high-temperature stability, machinability etc.) have many industrial applications, and consequently, an important strategic value. In the nuclear area, it has been used as moderator and reflector of neutrons in the fission process of uranium. The graphite can be produced from many types of carbonaceous materials by a variety of process dominated by the manufactures. This is the reason why there are in the world market a lot of graphite types with different physical and mechanical properties. The present investigation studies some physical characteristics of the graphite samples destined to use in a nuclear reactor. (author). 8 refs, 1 fig, 1 tab

  10. Gravitomagnetic field of the universe and Coriolis force on the rotating Earth

    International Nuclear Information System (INIS)

    Veto, B

    2011-01-01

    The Machian effect of distant masses of the universe in the frame of reference of the rotating Earth is demonstrated using the gravitomagnetic approach of general relativity. This effect appears in the form of a gravitomagnetic Lorentz force acting on moving bodies on the Earth. The gravitomagnetic field of the universe-deduced from a simple model-exerts a gravitomagnetic Lorentz force on moving bodies, a force parallel to and with comparable strength to the Coriolis force observed on the rotating Earth. It seems after simple considerations that the Coriolis force happens to be the gravitomagnetic Lorentz force exerted by the mass of a black hole universe. The description of the phenomenon is simpler using the gravitomagnetic approach than the standard formulation of general relativity, so the method relying on gravitomagnetism is advisable in lectures intended for master's degree level physics students and advanced undergraduates.

  11. Calibrated work function mapping by Kelvin probe force microscopy

    Science.gov (United States)

    Fernández Garrillo, Pablo A.; Grévin, Benjamin; Chevalier, Nicolas; Borowik, Łukasz

    2018-04-01

    We propose and demonstrate the implementation of an alternative work function tip calibration procedure for Kelvin probe force microscopy under ultrahigh vacuum, using monocrystalline metallic materials with known crystallographic orientation as reference samples, instead of the often used highly oriented pyrolytic graphite calibration sample. The implementation of this protocol allows the acquisition of absolute and reproducible work function values, with an improved uncertainty with respect to unprepared highly oriented pyrolytic graphite-based protocols. The developed protocol allows the local investigation of absolute work function values over nanostructured samples and can be implemented in electronic structures and devices characterization as demonstrated over a nanostructured semiconductor sample presenting Al0.7Ga0.3As and GaAs layers with variable thickness. Additionally, using our protocol we find that the work function of annealed highly oriented pyrolytic graphite is equal to 4.6 ± 0.03 eV.

  12. Gold clusters sliding on graphite: a possible quartz crystal microbalance experiment?

    International Nuclear Information System (INIS)

    Pisov, S; Tosatti, E; Tartaglino, U; Vanossi, A

    2007-01-01

    A large measured two-dimensional (2D) diffusion coefficient of gold nanoclusters on graphite has been known experimentally and theoretically for about a decade. When subjected to a lateral force, these clusters should slide with an amount of friction that can be measured. We examine the hypothetical possibility of measuring by quartz crystal microbalance (QCM) the phononic sliding friction of gold clusters in the size range around 250 atoms on a graphite substrate between 300 and 600 K. Assuming the validity of Einstein's relations of ordinary Brownian motion and making use of the experimentally available activated behaviour of the diffusion coefficients, we can predict the sliding friction and slip times as a function of temperature. It is found that a prototypical deposited gold cluster could yield slip times at the standard measurable size of 10 -9 s for temperatures around 450-500 K, or 200 0 C. Since gold nanoclusters may also melt at around these temperatures, QCM could offer the additional chance of observing this phenomenon through a frictional change

  13. Hydrophilization of graphite using plasma above/in a solution

    Science.gov (United States)

    Hoshino, Shuhei; Kawahara, Kazuma; Takeuchi, Nozomi

    2018-01-01

    A hydrophilization method for graphite is required for applications such as conductive ink. In typical chemical oxidation methods for graphite have the problems of producing many defects in graphite and a large environmental impact. In recent years, the plasma treatment has attracted attention because of the high quality of the treated samples and the low environmental impact. In this study, we proposed an above-solution plasma treatment with a high contact probability of graphite and plasma since graphite accumulates on the solution surface due to its hydrophobicity, which we compared with a so-called solution plasma treatment. Graphite was hydrophilized via reactions with OH radicals generated by the plasma. It was confirmed that hydroxyl and carboxyl groups were modified to the graphite and the dispersibility was improved. The above-solution plasma achieved more energy-efficient hydrophilization than the solution plasma and it was possible to enhance the dispersibility by increasing the plasma-solution contact area.

  14. Anisotropic Material Behavior of Uni-axially Compacted Graphite Matrix for HTGR Fuel Compact Fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young-Woo; Yeo, Seunghwan; Yoon, Ji-Hae; Cho, Moon Sung [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    In developing the fuel compact fabrication technology, and fuel graphite material to meet the required material properties, it is essential to investigate the relationship among the process parameters of the matrix graphite powder preparation, the fabrication parameters of fuel element green compact and the heat treatments conditions and the material properties of fuel element. It was observed, during this development, that the pressing technique employed for the compaction fabrication prior to the two successive heat treatments (carbonization and final high temperature heat treatment) was of extreme importance in determining the material properties of the final compact product. In this work, the material behavior of the uni-axially pressed graphite matrix during the carbonization and final heat treatment are evaluated and summarized along the different directions, viz., perpendicular and parallel directions to pressing direction. In this work, the dimensional variations and variations in thermal expansion, thermal conductivity and Vickers hardness of the graphite matrix compact samples in the axial and radial directions prepared by uni-axial pressing are evaluated, and compared with those of samples prepared by cold isostatic pressing with the available data. From this work, the followings are observed. 1) Dimensional changes of matrix graphite green compacts during carbonization show that the difference in radial and axial variations shows a large anisotropic behavior in shrinkage. The radial variation is very small while the axial variation is large. During carbonization, the stresses caused by the force would be released in to the axial direction together with the phenolic resin vapor. 2) Dimensional variation of compact samples in perpendicular and parallel directions during carbonization shows a large difference in behavior when compact sample is prepared by uni-axial pressing. However, when compact sample is prepared by cold isostatic pressing, there is

  15. Anisotropic Material Behavior of Uni-axially Compacted Graphite Matrix for HTGR Fuel Compact Fabrication

    International Nuclear Information System (INIS)

    Lee, Young-Woo; Yeo, Seunghwan; Yoon, Ji-Hae; Cho, Moon Sung

    2016-01-01

    In developing the fuel compact fabrication technology, and fuel graphite material to meet the required material properties, it is essential to investigate the relationship among the process parameters of the matrix graphite powder preparation, the fabrication parameters of fuel element green compact and the heat treatments conditions and the material properties of fuel element. It was observed, during this development, that the pressing technique employed for the compaction fabrication prior to the two successive heat treatments (carbonization and final high temperature heat treatment) was of extreme importance in determining the material properties of the final compact product. In this work, the material behavior of the uni-axially pressed graphite matrix during the carbonization and final heat treatment are evaluated and summarized along the different directions, viz., perpendicular and parallel directions to pressing direction. In this work, the dimensional variations and variations in thermal expansion, thermal conductivity and Vickers hardness of the graphite matrix compact samples in the axial and radial directions prepared by uni-axial pressing are evaluated, and compared with those of samples prepared by cold isostatic pressing with the available data. From this work, the followings are observed. 1) Dimensional changes of matrix graphite green compacts during carbonization show that the difference in radial and axial variations shows a large anisotropic behavior in shrinkage. The radial variation is very small while the axial variation is large. During carbonization, the stresses caused by the force would be released in to the axial direction together with the phenolic resin vapor. 2) Dimensional variation of compact samples in perpendicular and parallel directions during carbonization shows a large difference in behavior when compact sample is prepared by uni-axial pressing. However, when compact sample is prepared by cold isostatic pressing, there is

  16. Mechanical design philosophy for the graphite components of the core structure of an HTGR

    International Nuclear Information System (INIS)

    Bodmann, E.

    1987-01-01

    Parallel to the layout and design of the graphite components for THTRs and the succeeding high temperature reactor projects, the design methods for graphite components have been improved over the years. The aim of this works is to develop the design methods which take into account both the particular properties of graphite and the particular functions of the components. Because of the close relation ship between materials and design codes, this development work has progressed with the development, testing and qualification of German reactor graphite. In this paper, the experience in this field of Hochtemperatur Reaktorbau GmbH and the results of the work and approach to the design problems are reported. The example of a HTR 500 design for a 550 MWe power station is taken up, and the core structure is explained. The graphite components are divided into three classes according to the stress limits. The loading of these components is reviewed. The aim of the design is not the complete avoidance of failure, but to avoid the failure of a single component from leading to a disadvantageous consequence which is not allowable. The classification of loading events, Weibull statistics and maximum allowable stress, the formation of the permissible stress, the assessment of stress due to multiaxial loading and so on are described. (Kako, I.)

  17. Tailoring the Oxygen Content of Graphite and Reduced Graphene Oxide for Specific Applications.

    Science.gov (United States)

    Morimoto, Naoki; Kubo, Takuya; Nishina, Yuta

    2016-02-25

    Graphene oxide (GO) is widely recognized as a promising material in a variety of fields, but its structure and composition has yet to be fully controlled. We have developed general strategies to control the oxidation degree of graphene-like materials via two methods: oxidation of graphite by KMnO4 in H2SO4 (oGO), and reduction of highly oxidized GO by hydrazine (rGO). Even though the oxygen content may be the same, oGO and rGO have different properties, for example the adsorption ability, oxidation ability, and electron conductivity. These differences in property arise from the difference in the underlying graphitic structure and the type of defect present. Our results can be used as a guideline for the production of tailor-made graphitic carbons. As an example, we show that rGO with 23.1 wt% oxygen showed the best performance as an electrode of an electric double-layer capacitor.

  18. Effect of Graphite Nanosheets on Properties of Poly(3-hydroxybutyrate-co-3-hydroxyvalerate

    Directory of Open Access Journals (Sweden)

    Larissa Stieven Montagna

    2017-01-01

    Full Text Available The influence of different contents, 0.25, 0.50, and 1.00 wt%, of graphite nanosheets (GNS on the properties of poly(3-hydroxybutyrate-co-3-hydroxyvalerate (PHBV nanocomposites obtained by solution casting method has been studied. GNS were prepared by three steps: intercalation (chemical exfoliation, expansion (thermal treatment, and the GNS obtainment (physical treatment by ultrasonic exfoliation. X-ray diffraction (XRD, Raman spectroscopy, and field emission gun-scanning electron microscopy (FE-SEM showed that the physical, chemical, and thermal treatments preserved the graphite sheets structure. XRD and Raman results also showed that GNS were dispersed in the PHBV matrix. The degree of crystallinity (Xc of the nanocomposites did not change when the graphite nanosheets were added. However, the GNS acted as nucleation agent for crystallization; that is, in the second heating the samples containing GNS showed two melting peaks. The addition the GNS did not change the thermal stability of the PHBV.

  19. Tailoring the Oxygen Content of Graphite and Reduced Graphene Oxide for Specific Applications

    Science.gov (United States)

    Morimoto, Naoki; Kubo, Takuya; Nishina, Yuta

    2016-02-01

    Graphene oxide (GO) is widely recognized as a promising material in a variety of fields, but its structure and composition has yet to be fully controlled. We have developed general strategies to control the oxidation degree of graphene-like materials via two methods: oxidation of graphite by KMnO4 in H2SO4 (oGO), and reduction of highly oxidized GO by hydrazine (rGO). Even though the oxygen content may be the same, oGO and rGO have different properties, for example the adsorption ability, oxidation ability, and electron conductivity. These differences in property arise from the difference in the underlying graphitic structure and the type of defect present. Our results can be used as a guideline for the production of tailor-made graphitic carbons. As an example, we show that rGO with 23.1 wt% oxygen showed the best performance as an electrode of an electric double-layer capacitor.

  20. The MARTINI force field : Coarse grained model for biomolecular simulations

    NARCIS (Netherlands)

    Marrink, Siewert J.; Risselada, H. Jelger; Yefimov, Serge; Tieleman, D. Peter; de Vries, Alex H.

    2007-01-01

    We present an improved and extended version of our coarse grained lipid model. The new version, coined the MARTINI force field, is parametrized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. To

  1. Intercomparison of graphite irradiations

    Energy Technology Data Exchange (ETDEWEB)

    Hering, H; Perio, P; Seguin, M [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    While fast neutrons only are effective in damaging graphite, results of irradiations are more or less universally expressed in terms of thermal neutron fluxes. This paper attempts to correlate irradiations made in different reactors, i.e., in fluxes of different spectral compositions. Those attempts are based on comparison of 1) bulk length change and volume expansion, and 2) crystalline properties (e.g., lattice parameter C, magnetic susceptibility, stored energy, etc.). The methods used by various authors for determining the lattice constants of irradiated graphite are discussed. (author)

  2. Development of integrated waste management options for irradiated graphite

    Directory of Open Access Journals (Sweden)

    Alan Wareing

    2017-08-01

    Full Text Available The European Treatment and Disposal of Irradiated Graphite and other Carbonaceous Waste project sought to develop best practices in the retrieval, treatment, and disposal of irradiated graphite including other irradiated carbonaceous waste such as structural material made of graphite, nongraphitized carbon bricks, and fuel coatings. Emphasis was given on legacy irradiated graphite, as this represents a significant inventory in respective national waste management programs. This paper provides an overview of the characteristics of graphite irradiated during its use, primarily as a moderator material, within nuclear reactors. It describes the potential techniques applicable to the retrieval, treatment, recycling/reuse, and disposal of these graphite wastes. Considering the lifecycle of nuclear graphite, from manufacture to final disposal, a number of waste management options have been developed. These options consider the techniques and technologies required to address each stage of the lifecycle, such as segregation, treatment, recycle, and ultimate disposal in a radioactive waste repository, providing a toolbox to aid operators and regulators to determine the most appropriate management strategy. It is noted that national waste management programs currently have, or are in the process of developing, respective approaches to irradiated graphite management. The output of the Treatment and Disposal of Irradiated Graphite and other Carbonaceous Waste project is intended to aid these considerations, rather than dictate them.

  3. Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.

    Science.gov (United States)

    Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Guohui

    2016-03-05

    The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  4. Magnetic field sensor based on the Ampere's force using dual-polarization DBR fiber laser

    Science.gov (United States)

    Yao, Shuang; Zhang, Yang; Guan, Baiou

    2015-08-01

    A novel magnetic field sensor using distributed Bragg reflector (DBR) fiber laser by Ampere's force effect is proposed and experimentally demonstrated. The key sensing element, that is the dual-polarization DBR fiber laser, is fixed on the middle part of two copper plates which carry the current. Ampere's force is applied onto the coppers due to an external magnetic field generated by a DC solenoid. Thus, the lateral force from the coppers is converted to a corresponding beat frequency signal shift produced by the DBR laser. The electric current sensing is also realized by the same configuration and same principle simultaneously in an intuitive manner. Good agreement between the theory calculation and the experimental results is obtained, which shows a good linearity. This sensor's sensitivity to the magnetic field and to the electric current finally reaches ~258.92 kHz/mT and ~1.08727 MHz/A, respectively.

  5. Final report on graphite irradiation test OG-2

    International Nuclear Information System (INIS)

    Price, R.J.; Beavan, L.A.

    1975-01-01

    Results are presented of dimensional, thermal expansivity, thermal conductivity, Young's modulus, and tensile strength measurements on specimens of nuclear graphites irradiated in capsule OG-2. About half the irradiation space was allocated to H-451 near-isotropic petroleum-coke-based graphite or its subsized prototype grade H-429. Most of these specimens had been previously irradiated. Virgin specimens of another near-isotropic graphite, grade TS-1240, were irradiated. Some previously irradiated specimens of needle-coke-based H-327 graphite and pitch-coke-based P 3 JHAN were also included

  6. Effects of graphite doping on critical current density and microstructure of MgB{sub 2} bulks by an improved Mg-diffusion method

    Energy Technology Data Exchange (ETDEWEB)

    Pan, X.F. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhao, Y. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)], E-mail: yshao@home.swjtu.edu.cn; Feng, Y. [Northwest Institute for Nonferrous Metal Research, P.O. Box 51, Xi' an, Shaanxi 710016 (China); Western Superconductivity Technology Company, Xi' an (China); Yang, Y. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Cheng, C.H. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)

    2008-09-15

    abstract: A series of graphite-doped MgB{sub 2} bulks with high density have been successfully prepared by an improved Mg-diffusion method in ambient pressure. The effects of graphite doping on lattice parameters, T{sub c}, J{sub c} and microstructure of MgB{sub 2} have been investigated. The results show that compared to the nano-C-doped or CNTs-doped MgB{sub 2}, C is not easy to substitute B in graphite-doped MgB{sub 2}. However, at the same C content, the graphite-doped MgB{sub 2} has a higher J{sub c}. At 10 K and self-field, the J{sub c} for MgB{sub 1.985}C{sub 0.015} reaches 0.58 MA/cm{sup 2}. For the MgB{sub 1.945}C{sub 0.055}, at 5 K, 7 T and 10 K, 6 T the J{sub c} achieves 10,000 A/cm{sup 2} which is two orders of magnitude higher than that for the undoped sample. In addition to improving electron scattering and intergranular connectivity, the unreacted graphite in the graphite-doped MgB{sub 2} is proposed to be responsible to the excellent J{sub c} properties of MgB{sub 2} in high fields, due to depressed grain growth and enhanced grain boundary flux pinning.

  7. Characteristics of first loaded IG-110 graphite in HTTR core

    International Nuclear Information System (INIS)

    Sumita, Junya; Shibata, Taiju; Iyoku, Tatsuo; Sawa, Kazuhiro; Hanawa, Satoshi; Ishihara, Masahiro

    2006-10-01

    IG-110 graphite is a fine-grained isotropic and nuclear-grade graphite with excellent resistivity on both irradiation and corrosion and with high strength. The IG-110 graphite is used for the graphite components of High Temperature Engineering Test Reactor (HTTR) such as fuel and control rod guide blocks and support posts. In order to design and fabricate the graphite components in the HTTR, the Japan Atomic Energy Research Institute (the Japan Atomic Energy Agency at present) had established the graphite structural design code and design data on the basis of former research results. After the design code establishment, the IG-110 graphite components were fabricated and loaded in the HTTR core. This report summarized the characteristics of the first loaded IG-110 graphite as basic data for surveillance test, measuring material characteristics changed by neutron irradiation and oxidation. By comparing the design data, it was shown that the first loaded IG-110 graphite had excellent strength properties and enough safety margins to the stress limits in the design code. (author)

  8. Graphite matrix materials for nuclear waste isolation

    International Nuclear Information System (INIS)

    Morgan, W.C.

    1981-06-01

    At low temperatures, graphites are chemically inert to all but the strongest oxidizing agents. The raw materials from which artificial graphites are produced are plentiful and inexpensive. Morover, the physical properties of artificial graphites can be varied over a very wide range by the choice of raw materials and manufacturing processes. Manufacturing processes are reviewed herein, with primary emphasis on those processes which might be used to produce a graphite matrix for the waste forms. The approach, recommended herein, involves the low-temperature compaction of a finely ground powder produced from graphitized petroleum coke. The resultant compacts should have fairly good strength, low permeability to both liquids and gases, and anisotropic physical properties. In particular, the anisotropy of the thermal expansion coefficients and the thermal conductivity should be advantageous for this application. With two possible exceptions, the graphite matrix appears to be superior to the metal alloy matrices which have been recommended in prior studies. The two possible exceptions are the requirements on strength and permeability; both requirements will be strongly influenced by the containment design, including the choice of materials and the waste form, of the multibarrier package. Various methods for increasing the strength, and for decreasing the permeability of the matrix, are reviewed and discussed in the sections in Incorporation of Other Materials and Elimination of Porosity. However, it would be premature to recommend a particular process until the overall multi-barrier design is better defined. It is recommended that increased emphasis be placed on further development of the low-temperature compacted graphite matrix concept

  9. Graphite as negative electrode in Li-ion batteries; Le graphite comme electrode negative dans les accumulateurs Li-ion

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, F.; Monnier, A. [Timcal SA (France)

    1996-12-31

    The last developments in lithium batteries design have demonstrated the advantages of graphite: competitive cost, flat output curve, high capacity thanks to the obtention of a final compound close to LiC{sub 6}, good behaviour during cycling and a high mass energy. However, these advantages are slightly tarnished by parasite secondary reactions during the evolution of the element. Two different cases are encountered: the formation of a passivation layer (loss of Li ions and formation of irreversible bounds) and the formation of a passivation layer with a reaction between graphite and the solvent (partial destruction of the graphite crystal lattice). In the first case, the theoretical graphite insertion capacity remains at 372 mAh/g while in the second case the insertion capacity is greatly reduced. Abstract only. (J.S.)

  10. Graphite as negative electrode in Li-ion batteries; Le graphite comme electrode negative dans les accumulateurs Li-ion

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, F; Monnier, A [Timcal SA (France)

    1997-12-31

    The last developments in lithium batteries design have demonstrated the advantages of graphite: competitive cost, flat output curve, high capacity thanks to the obtention of a final compound close to LiC{sub 6}, good behaviour during cycling and a high mass energy. However, these advantages are slightly tarnished by parasite secondary reactions during the evolution of the element. Two different cases are encountered: the formation of a passivation layer (loss of Li ions and formation of irreversible bounds) and the formation of a passivation layer with a reaction between graphite and the solvent (partial destruction of the graphite crystal lattice). In the first case, the theoretical graphite insertion capacity remains at 372 mAh/g while in the second case the insertion capacity is greatly reduced. Abstract only. (J.S.)

  11. Graphite suspension in carbon dioxide

    International Nuclear Information System (INIS)

    Roche, R.

    1965-01-01

    Since 1963 the Atomic Division of SNECMA has been conducting, under a contract with the CEA, an experimental work with a two-component fluid comprised of carbon dioxide and small graphite particles. The primary purpose was the determination of basic engineering information pertaining to the stability and the flowability of the suspension. The final form of the experimental loop consists mainly of the following items: a light-phase compressor, a heavy-phase pump, an electrical-resistance type heater section, a cooling heat exchanger, a hairpin loop, a transparent test section and a separator. During the course of the testing, it was observed that the fluid could be circulated quite easily in a broad range of variation of the suspension density and velocity - density from 30 to 170 kg/m 3 and velocity from 2 to 24 m/s. The system could be restarted and circulation maintained without any difficulty, even with the heavy-phase pump alone. The graphite did not have a tendency to pack or agglomerate during operation. No graphite deposition was observed on the wall of the tubing. A long period run (250 hours) has shown the evolution of the particle dimensions. Starting with graphite of surface area around 20 m 2 /g (graphite particles about 1 μ), the powder surface area reaches an asymptotic value of 300 m 2 /g (all the particles less than 0.3 μ). Moisture effect on flow stability, flow distribution between two parallel channels, pressure drop in straight tubes, recompression ratio in diffusers were also investigated. (author) [fr

  12. A molecular mechanics (MM3(96)) force field for metal-amide complexes

    International Nuclear Information System (INIS)

    Hay, B.P.; Clement, O.; Sandrone, G.; Dixon, D.A.

    1998-01-01

    A molecular mechanics (MM3(96)) force field is reported for modeling metal complexes of amides in which the amide is coordinated through oxygen. This model uses a points-on-a-sphere approach which involves the parameterization of the Msingle bondO stretch, the Msingle bondO double-bond C bend, and the Msingle bondO double-bond Csingle bondX (X = C, H, N) torsion interactions. Relationships between force field parameters and metal ion properties (charge, ionic radius, and electronegativity) are presented that allow the application of this model to a wide range of metal ions. The model satisfactorily reproduces the structures of over fifty amide complexes with the alkaline earths, transition metals, lanthanides, and actinides

  13. Bioactive conformational generation of small molecules: A comparative analysis between force-field and multiple empirical criteria based methods

    Directory of Open Access Journals (Sweden)

    Jiang Hualiang

    2010-11-01

    Full Text Available Abstract Background Conformational sampling for small molecules plays an essential role in drug discovery research pipeline. Based on multi-objective evolution algorithm (MOEA, we have developed a conformational generation method called Cyndi in the previous study. In this work, in addition to Tripos force field in the previous version, Cyndi was updated by incorporation of MMFF94 force field to assess the conformational energy more rationally. With two force fields against a larger dataset of 742 bioactive conformations of small ligands extracted from PDB, a comparative analysis was performed between pure force field based method (FFBM and multiple empirical criteria based method (MECBM hybrided with different force fields. Results Our analysis reveals that incorporating multiple empirical rules can significantly improve the accuracy of conformational generation. MECBM, which takes both empirical and force field criteria as the objective functions, can reproduce about 54% (within 1Å RMSD of the bioactive conformations in the 742-molecule testset, much higher than that of pure force field method (FFBM, about 37%. On the other hand, MECBM achieved a more complete and efficient sampling of the conformational space because the average size of unique conformations ensemble per molecule is about 6 times larger than that of FFBM, while the time scale for conformational generation is nearly the same as FFBM. Furthermore, as a complementary comparison study between the methods with and without empirical biases, we also tested the performance of the three conformational generation methods in MacroModel in combination with different force fields. Compared with the methods in MacroModel, MECBM is more competitive in retrieving the bioactive conformations in light of accuracy but has much lower computational cost. Conclusions By incorporating different energy terms with several empirical criteria, the MECBM method can produce more reasonable conformational

  14. Dissolved organic carbon--contaminant interaction descriptors found by 3D force field calculations.

    Science.gov (United States)

    Govers, H A J; Krop, H B; Parsons, J R; Tambach, T; Kubicki, J D

    2002-03-01

    Enthalpies of transfer at 300 K of various partitioning processes were calculated in order to study the suitability of 3D force fields for the calculation of partitioning constants. A 3D fulvic acid (FA) model of dissolved organic carbon (DOC) was built in a MM+ force field using AMI atomic charges and geometrical optimization (GO). 3,5-Dichlorobiphenyl (PCB14), 4,4'-dichlorobiphenyl (PCB15), 1,1,1-trichloro-2,2-bis-(4-chlorophenyl)-ethane (PPDDT) and 2-chloro-4-ethylamino-6-isopropylamino-s-triazine (Atrazine) were inserted into different sites and their interaction energies with FA were calculated. Energies of hydration were calculated and subtracted from FA-contaminant interactions of selected sites. The resulting values for the enthalpies of transfer from water to DOC were 2.8, -1.4, -6.4 and 0.0 kcal/mol for PCB 14, PCB15, PPDDT and Atrazine, respectively. The value of PPDDT compared favorably with the experimental value of -5.0 kcal/mol. Prior to this, the method was studied by the calculation of the enthalpies of vaporization and aqueous solution using various force fields. In the MM + force field GO predicted enthalpies of vaporization deviated by +0.7 (PCB14), +3.6 (PCB15) and -0.7 (PPDDT)kcal/mol from experimental data, whereas enthalpies of aqueous solution deviated by -3.6 (PCB14), +5.8 (PCB15) and +3.7 (PPDDT) kcal/mol. Only for PCB14 the wrong sign of this enthalpy value was predicted. Potential advantages and limitations of the approach were discussed.

  15. A NEW CODE FOR NONLINEAR FORCE-FREE FIELD EXTRAPOLATION OF THE GLOBAL CORONA

    International Nuclear Information System (INIS)

    Jiang Chaowei; Feng Xueshang; Xiang Changqing

    2012-01-01

    Reliable measurements of the solar magnetic field are still restricted to the photosphere, and our present knowledge of the three-dimensional coronal magnetic field is largely based on extrapolations from photospheric magnetograms using physical models, e.g., the nonlinear force-free field (NLFFF) model that is usually adopted. Most of the currently available NLFFF codes have been developed with computational volume such as a Cartesian box or a spherical wedge, while a global full-sphere extrapolation is still under development. A high-performance global extrapolation code is in particular urgently needed considering that the Solar Dynamics Observatory can provide a full-disk magnetogram with resolution up to 4096 × 4096. In this work, we present a new parallelized code for global NLFFF extrapolation with the photosphere magnetogram as input. The method is based on the magnetohydrodynamics relaxation approach, the CESE-MHD numerical scheme, and a Yin-Yang spherical grid that is used to overcome the polar problems of the standard spherical grid. The code is validated by two full-sphere force-free solutions from Low and Lou's semi-analytic force-free field model. The code shows high accuracy and fast convergence, and can be ready for future practical application if combined with an adaptive mesh refinement technique.

  16. Seismic research on graphite reactor core

    International Nuclear Information System (INIS)

    Lai Shigang; Sun Libin; Zhang Zhengming

    2013-01-01

    Background: Reactors with graphite core structure include production reactor, water-cooled graphite reactor, gas-cooled reactor, high-temperature gas-cooled reactor and so on. Multi-body graphite core structure has nonlinear response under seismic excitation, which is different from the response of general civil structure, metal connection structure or bolted structure. Purpose: In order to provide references for the designing and construction of HTR-PM. This paper reviews the history of reactor seismic research evaluation from certain countries, and summarizes the research methods and research results. Methods: By comparing the methods adopted in different gas-cooled reactor cores, inspiration for our own HTR seismic research was achieved. Results and Conclusions: In this paper, the research ideas of graphite core seismic during the process of designing, constructing and operating HTR-10 are expounded. Also the project progress of HTR-PM and the research on side reflection with the theory of similarity is introduced. (authors)

  17. A Kirkwood-Buff derived force field for alkaline earth halide salts

    Science.gov (United States)

    Naleem, Nawavi; Bentenitis, Nikolaos; Smith, Paul E.

    2018-06-01

    The activity and function of many macromolecules in cellular environments are coupled with the binding of divalent ions such as calcium or magnesium. In principle, computer simulations can be used to understand the molecular level aspects of how many important macromolecules interact with ions. However, most of the force fields currently available often fail to accurately reproduce the properties of divalent ions in aqueous environments. Here we develop classical non-polarizable force fields for the aqueous alkaline earth metal halides (MX2), where M = Mg2+, Ca2+, Sr2+, Ba2+ and X = Cl-, Br-, I-, which can be used in bimolecular simulations and which are compatible with the Simple Point Charge/Extended (SPC/E) water model. The force field parameters are specifically developed to reproduce the experimental Kirkwood-Buff integrals for aqueous solutions and thereby the experimental activity derivatives, partial molar volumes, and excess coordination numbers. This ensures that a reasonable balance between ion-ion, ion-water, and water-water distributions is obtained. However, this requires a scaling of the cation to water oxygen interaction strength in order to accurately reproduce the integrals. The scaling factors developed for chloride salts are successfully transferable to the bromide and iodide salts. Use of these new models leads to reasonable diffusion constants and dielectric decrements. However, the performance of the models decreases with increasing salt concentration (>4m), and simulations of the pure crystals exhibited unstable behavior.

  18. Large-scale preparation of hollow graphitic carbon nanospheres

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Jun; Li, Fu [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Bai, Yu-Jun, E-mail: byj97@126.com [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); State Key laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Han, Fu-Dong; Qi, Yong-Xin; Lun, Ning [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Lu, Xi-Feng [Lunan Institute of Coal Chemical Engineering, Jining 272000 (China)

    2013-01-15

    Hollow graphitic carbon nanospheres (HGCNSs) were synthesized on large scale by a simple reaction between glucose and Mg at 550 Degree-Sign C in an autoclave. Characterization by X-ray diffraction, Raman spectroscopy and transmission electron microscopy demonstrates the formation of HGCNSs with an average diameter of 10 nm or so and a wall thickness of a few graphenes. The HGCNSs exhibit a reversible capacity of 391 mAh g{sup -1} after 60 cycles when used as anode materials for Li-ion batteries. -- Graphical abstract: Hollow graphitic carbon nanospheres could be prepared on large scale by the simple reaction between glucose and Mg at 550 Degree-Sign C, which exhibit superior electrochemical performance to graphite. Highlights: Black-Right-Pointing-Pointer Hollow graphitic carbon nanospheres (HGCNSs) were prepared on large scale at 550 Degree-Sign C Black-Right-Pointing-Pointer The preparation is simple, effective and eco-friendly. Black-Right-Pointing-Pointer The in situ yielded MgO nanocrystals promote the graphitization. Black-Right-Pointing-Pointer The HGCNSs exhibit superior electrochemical performance to graphite.

  19. Superconducting Sweet-Spot in Microcrystalline Graphite Revealed by Point-Contact Spectroscopy

    Science.gov (United States)

    Arnold, F.; Nyéki, J.; Saunders, J.

    2018-05-01

    In this letter we describe the observation of a magnetic field dependent electronic gap, suggestive of local superconductivity, in the point-contact spectrum of micro-crystalline graphite. Magnetic field dependent point-contact spectroscopy was carried out at a temperature of 1.8K using an etched aluminium tip. At zero field a gap structure in the differential conductance is observed, showing a gap of Δ = 4.2 meV. On applying magnetic fields of up to 500mT, this gap gradually closes, following the theoretical prediction by Ginzburg and Landau for a fully flux-penetrated superconductor. By applying BCS-theory, we infer a critical superconducting temperature of 14K.

  20. A Non-Linear Force-Free Field Model for the Evolving Magnetic Structure of Solar Filaments

    Science.gov (United States)

    Mackay, Duncan H.; van Ballegooijen, A. A.

    2009-12-01

    In this paper the effect of a small magnetic element approaching the main body of a solar filament is considered through non-linear force-free field modeling. The filament is represented by a series of magnetic dips. Once the dips are calculated, a simple hydrostatic atmosphere model is applied to determine which structures have sufficient column mass depth to be visible in Hα. Two orientations of the bipole are considered, either parallel or anti-parallel to the overlying arcade. The magnetic polarity that lies closest to the filament is then advected towards the filament. Initially for both the dominant and minority polarity advected elements, right/left bearing barbs are produced for dextral/sinsitral filaments. The production of barbs due to dominant polarity elements is a new feature. In later stages the filament breaks into two dipped sections and takes a highly irregular, non-symmetrical form with multiple pillars. The two sections are connected by field lines with double dips even though the twist of the field is less than one turn. Reconnection is not found to play a key role in the break up of the filament. The non-linear force-free fields produce very different results to extrapolated linear-force free fields. For the cases considered here the linear force-free field does not produce the break up of the filament nor the production of barbs as a result of dominant polarity elements.

  1. Examination of forced unsteady separated flow fields on a rotating wind turbine blade

    Energy Technology Data Exchange (ETDEWEB)

    Huyer, S [Univ. of Colorado, Boulder, CO (US)

    1993-04-01

    The wind turbine industry faces many problems regarding the construction of efficient and predictable wind turbine machines. Steady state, two-dimensional wind tunnel data are generally used to predict aerodynamic loads on wind turbine blades. Preliminary experimental evidence indicates that some of the underlying fluid dynamic phenomena could be attributed to dynamic stall, or more specifically to generation of forced unsteady separated flow fields. A collaborative research effort between the University of Colorado and the National Renewable Energy Laboratory was conducted to systematically categorize the local and global effects of three- dimensional forced unsteady flow fields.

  2. Negative pressure and spallation in graphite targets under nano- and picosecond laser irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Belikov, R S; Khishchenko, K V [Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow (Russian Federation); Krasyuk, I K; Semenov, A Yu; Stuchebryukhov, I A [A M Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation); Rinecker, T; Schoenlein, A [Goethe University Frankfurt am Main (Germany); Rosmej, O N [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Germany, 64291 Darmstadt, Planckstraße, 1 (Germany); Tomut, M [Technische Universität Darmstadt, Germany, 64289 Darmstadt, Karolinenplatz, 5 (Germany)

    2015-05-31

    We present the results of experiments on the spallation phenomena in graphite targets under shock-wave nano- and picosecond irradiation, which have been performed on Kamerton-T (GPI, Moscow, Russia) and PHELIX (GSI, Darmstadt, Germany) laser facilities. In the range of the strain rates of 10{sup 6} – 10{sup 7} s{sup -1}, the data on the dynamic mechanical strength of the material at rapure (spallation) have been for the first time obtained. With a maximal strain rate of 1.4 × 10{sup 7} s{sup -1}, the spall strength of 2.1 GPa is obtained, which constitutes 64% of the theoretical ultimate tensile strength of graphite. The effect of spallation is observed not only on the rear side of the target, but also on its irradiated (front) surface. With the use of optical and scanning electron microscopes, the morphology of the front and rear surfaces of the targets is studied. By means of Raman scattering of light, the graphite structure both on the target front surface under laser exposure and on its rear side in the spall zone is investigated. A comparison of the dynamic strength of graphite and synthetic diamond is performed. (extreme light fields and their applications)

  3. A Basic Experiment on Two-Dimensional Force of HTSC-Bulk in DC Magnetic-Field

    OpenAIRE

    吉田, 欣二郎; 松田, 茂雄; 松本, 洋和

    2000-01-01

    High temperature superconducting (HTSC) bulk can levitate stably on a track which consists of permanent magnets of the same polarity. This is because HTSC-bulk has a pinning force which keeps from vertical displacement due to the weight. We have proposed a new LSM theory which is based on an idea of considering the pinning force as synchronizing force in using armature travelling-magnetic-field instead of permanent magnets. However, the lift force enough to levitate the vehicle on the ground ...

  4. Porous graphite electrodes for rechargeable ion-transfer batteries

    Energy Technology Data Exchange (ETDEWEB)

    Novak, P; Scheifele, W; Haas, O [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    The influence of preparation pressure and pore-forming additives on the properties of graphite-based, Li{sup +}-intercalating electrodes for ion-transfer batteries have been investigated. The electrochemical performance of graphite electrodes could be improved by adjusting the porosity. Specific charge of >300 Ah/kg (with respect to the graphite mass) could be achieved. (author) 4 figs., 2 refs.

  5. Graphite reactor physics; Physique des piles a graphite

    Energy Technology Data Exchange (ETDEWEB)

    Bacher, P; Cogne, F [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Noc, B [Electricite de France (EDF), 75 - Paris (France)

    1964-07-01

    The study of graphite-natural uranium power reactor physics, undertaken ten years ago when the Marcoule piles were built, has continued to keep in step with the development of this type of pile. From 1960 onwards the critical facility Marius has been available for a systematic study of the properties of lattices as a function of their pitch, of fuel geometry and of the diameter of cooling channels. This study has covered a very wide field: lattice pitch varying from 19 to 38 cm. uranium rods and tubes of cross-sections from 6 to 35 cm{sup 2}, channels with diameters between 70 and 140 mm. The lattice calculation methods could thus be checked and where necessary adapted. The running of the Marcoule piles and the experiments carried out on them during the last few years have supplied valuable information on the overall evolution of the neutronic properties of the fuel as a function of irradiation. More detailed experiments have also been performed in Marius with plutonium-containing fuels (irradiated or synthetic fuels), and will be undertaken at the beginning of 1965 at high temperature in the critical facility Cesar, which is just being completed at Cadarache. Spent fuel analyses complement these results and help in their interpretation. The thermalization and spectra theories developed in France can thus be verified over the whole valid temperature range. The efficiency of control rods as a function of their dimensions, the materials of which they are made and the lattices surrounding them has been measured in Marius, and the results compared with calculation on the one hand and with the measurements carried out in EDF 1 on the other. Studies on the control proper of graphite piles were concerned essentially with the risks of spatial instability and the means of detecting and controlling them, and with flux distortions caused by the control rods. (authors) [French] Entreprise il y a dix ans a l'occasion de la construction des piles de Marcoule, l'etude de la

  6. Crystallization degree change of expanded graphite by milling and annealing

    International Nuclear Information System (INIS)

    Tang Qunwei; Wu Jihuai; Sun Hui; Fang Shijun

    2009-01-01

    Expanded graphite was ball milled with a planetary mill in air atmosphere, and subsequently thermal annealed. The samples were characterized by using X-ray diffraction spectroscopy (XRD), scanning electron microscopy (SEM) and thermal gravimetric analysis (TGA). It was found that in the milling initial stage (less than 12 h), the crystallization degree of the expanded graphite declined gradually, but after milling more than 16 h, a recrystallization of the expanded graphite toke place, and ordered nanoscale expanded graphite was formed gradually. In the annealing initial stage, the non-crystallization of the graphite occurred, but, beyond an annealing time, recrystallizations of the graphite arise. Higher annealing temperature supported the recrystallization. The milled and annealed expanded graphite still preserved the crystalline structure as raw material and hold high thermal stability.

  7. Cementation of Nuclear Graphite Using Geopolymers

    International Nuclear Information System (INIS)

    Girke, N.A.; Steinmetz, H-J.; Bukaemsky, A.; Bosbach, D.; Hermann, E.; Griebel, I.

    2016-01-01

    Geopolymers are solid aluminosilicate materials usually formed by alkali hydroxide or alkali silicate activation of solid precursors such as coal fly ash, calcined clay and/or metallurgical slag. Today the primary application of geopolymer technology is in the development of alternatives to Portland-based cements. Variations in the ratio of aluminium to silicon, and alkali to silicon or addition of structure support, produce geopolymers with different physical and mechanical properties. These materials have an amorphous three-dimensional structure that gives geopolymers certain properties, such as fire and acid resistance, low leach rate, which make them an ideal substitute for ordinary Portland cement (OPC) in a wide range of applications especially in conditioning and storage of radioactive waste. Therefore investigations have been initiated on how and to which amount graphite as a hydrophobic material can be mixed with cement or concrete to form stable waste products and which concretes fulfil the necessary specifications best. As a result, geopolymers have been identified as a promising matrix for graphite containing nuclear wastes. With geopolymers, both favourable properties in the cementation process and a high long time structural stability of the products can be achieved. Investigations include: • direct mixing of graphite with geopolymers with or without sand as a mechanically stabilizing medium; • production of cement-graphite granulates as intermediate products and embedding of these granulates in geopolymer; • coating of formed graphite pieces with geopolymer.The report shows that carbon in the form of graphite can both be integrated with different grain size spectra as well as shaped in the hydraulic binder geopolymer and meets the requirements for a stable long-term immobilisation. (author)

  8. Effect of various dopant elements on primary graphite growth

    International Nuclear Information System (INIS)

    Valle, N; Theuwissen, K; Lacaze, J; Sertucha, J

    2012-01-01

    Five spheroidal graphite cast irons were investigated, a usual ferritic grade and four pearlitic alloys containing Cu and doped with Sb, Sn and Ti. These alloys were remelted in a graphite crucible, leading to volatilization of the magnesium added for spheroidization and to carbon saturation of the liquid. The alloys were then cooled down and maintained at a temperature above the eutectic temperature. During this step, primary graphite could develop showing various features depending on the doping elements added. The largest effects were that of Ti which greatly reduces graphite nucleation and growth, and that of Sb which leads to rounded agglomerates instead of lamellar graphite. The samples have been investigated with secondary ion mass spectrometry to enlighten distribution of elements in primary graphite. SIMS analysis showed almost even distribution of elements, including Mg and Al (from the inoculant) in the ferritic grade, while uneven distribution was evident in all doped alloys. Investigations are going on to clarify if the uneven distribution is associated with structural defects in the graphite precipitates.

  9. New insights into canted spiro carbon interstitial in graphite

    Science.gov (United States)

    EL-Barbary, A. A.

    2017-12-01

    The self-interstitial carbon is the key to radiation damage in graphite moderator nuclear reactor, so an understanding of its behavior is essential for plant safety and maximized reactor lifetime. The density functional theory is applied on four different graphite unit cells, starting from of 64 carbon atoms up to 256 carbon atoms, using AIMPRO code to obtain the energetic, athermal and mechanical properties of carbon interstitial in graphite. This study presents first principles calculations of the energy of formation that prove its high barrier to athermal diffusion (1.1 eV) and the consequent large critical shear stress (39 eV-50 eV) necessary to shear graphite planes in its presence. Also, for the first time, the gamma surface of graphite in two dimensions is calculated and found to yield the critical shear stress for perfect graphite. Finally, in contrast to the extensive literature describing the interstitial of carbon in graphite as spiro interstitial, in this work the ground state of interstitial carbon is found to be canted spiro interstitial.

  10. Asymptotic forms for the energy of force-free magnetic field ion figurations of translational symmetry

    Science.gov (United States)

    Sturrock, P. A.; Antiochos, S. K.; Klinchuk, J. A.; Roumeliotis, G.

    1994-01-01

    It is known from computer calculations that if a force-free magnetic field configuration is stressed progressively by footpoint displacements, the configuration expands and approaches the open configuration with the same surface flux distribution and the energy of the field increases progressively. For configurations of translationalsymmetry, it has been found empirically that the energy tends asymptotically to a certain functional form. It is here shown that analysis of a simple model of the asymptotic form of force-free fields of translational symmetry leads to and therefore justifies this functional form. According to this model, the field evolves in a well-behaved manner with no indication of instability or loss of equilibrium.

  11. Effect of Graphite on the Properties of Natural Rubber

    Directory of Open Access Journals (Sweden)

    Auda jabber Braihi

    2016-09-01

    Full Text Available Natural rubber-graphite composites (0, 1, 2, 3, 4 pphr graphite were prepared on a laboratory two-roll mill. Swelling measurements were used to evaluate the impacts of graphite on the properties of natural rubber. Swelling results showed that the volume fraction of natural rubber in the swollen gel, the interaction parameter, and the cross-link density decreased by increasing graphite loadings, while the average molecular weight of natural rubber between cross-links increased. Vulcanization results showed that only scorch time parameter increased with increasing graphite loadings, while other parameters (Max. torque, Min. torque, cure rate and cure rate index decreased. Both thermal and AC conductivities increased.

  12. From spent graphite to amorphous sp2+sp3 carbon-coated sp2 graphite for high-performance lithium ion batteries

    Science.gov (United States)

    Ma, Zhen; Zhuang, Yuchan; Deng, Yaoming; Song, Xiaona; Zuo, Xiaoxi; Xiao, Xin; Nan, Junmin

    2018-02-01

    Today, with the massive application of lithium ion batteries (LIBs) in the portable devices and electric vehicles, to supply the active materials with high-performances and then to recycle their wastes are two core issues for the development of LIBs. In this paper, the spent graphite (SG) in LIBs is used as raw materials to fabricate two comparative high-capacity graphite anode materials. Based on a microsurgery-like physical reconstruction, the reconstructed graphite (RG) with a sp2+sp3 carbon surface is prepared through a microwave exfoliation and subsequent spray drying process. In contrast, the neural-network-like amorphous sp2+sp3 carbon-coated graphite (AC@G) is synthesized using a self-reconfigurable chemical reaction strategy. Compared with SG and commercial graphite (CG), both RG and AC@G have enhanced specific capacities, from 311.2 mAh g-1 and 360.7 mAh g-1 to 409.7 mAh g-1 and 420.0 mAh g-1, at 0.1C after 100 cycles. In addition, they exhibit comparable cycling stability, rate capability, and voltage plateau with CG. Because the synthesis of RG and AC@G represents two typical physical and chemical methods for the recycling of SG, these results on the sp2+sp3 carbon layer coating bulk graphite also reveal an approach for the preparation of high-performance graphite anode materials derived from SG.

  13. Adsorption of lead over graphite oxide.

    Science.gov (United States)

    Olanipekun, Opeyemi; Oyefusi, Adebola; Neelgund, Gururaj M; Oki, Aderemi

    2014-01-24

    The adsorption efficiency and kinetics of removal of lead in presence of graphite oxide (GO) was determined using the Atomic Absorption Spectrophotometer (AAS). The GO was prepared by the chemical oxidation of graphite and characterized using FTIR, SEM, TGA and XRD. The adsorption efficiency of GO for the solution containing 50, 100 and 150 ppm of Pb(2+) was found to be 98%, 91% and 71% respectively. The adsorption ability of GO was found to be higher than graphite. Therefore, the oxidation of activated carbon in removal of heavy metals may be a viable option to reduce pollution in portable water. Published by Elsevier B.V.

  14. Effect of reacting surface density on the overall graphite oxidation rate

    International Nuclear Information System (INIS)

    Oh, Chang; Kim, Eung; Lim, Jong; Schultz, Richard; Petti, David

    2009-01-01

    Graphite oxidation in an air-ingress accident is presently a very important issue for the reactor safety of the very high temperature gas cooled-reactor (VHTR), the concept of the next generation nuclear plant (NGNP) because of its potential problems such as mechanical degradation of the supporting graphite in the lower plenum of the VHTR might lead to core collapse if the countermeasure is taken carefully. The oxidation process of graphite has known to be affected by various factors, including temperature, pressure, oxygen concentration, types of graphite, graphite shape and size, flow distribution, etc. However, our recent study reveals that the internal pore characteristics play very important roles in the overall graphite oxidation rate. One of the main issues regarding graphite oxidation is the potential core collapse problem that may occur following the degradation of graphite mechanical strength. In analyzing this phenomenon, it is very important to understand the relationship between the degree of oxidization and strength degradation. In addition, the change of oxidation rate by graphite oxidation degree characterization by burn-off (ratio of the oxidized graphite density to the original density) should be quantified because graphite strength degradation is followed by graphite density decrease, which highly affects oxidation rates and patterns. Because the density change is proportional to the internal pore surface area, they should be quantified in advance. In order to understand the above issues, the following experiments were performed: (1) Experiment on the fracture of the oxidized graphite and validation of the previous correlations, (2) Experiment on the change of oxidation rate using graphite density and data collection, (3) Measure the BET surface area of the graphite. The experiments were performed using H451 (Great Lakes Carbon Corporation) and IG-110 (Toyo Tanso Co., Ltd) graphite. The reason for the use of those graphite materials is because

  15. Calculation of thermal stresses in graphite fuel blocks

    International Nuclear Information System (INIS)

    Lejeail, Y.; Cabrillat, M.T.

    2005-01-01

    This paper presents a parametric study of temperature and thermal stress calculations inside a HTGR core graphite block, taking into account the effect of fluence on the thermal and mechanical properties, up to 4. 10 21 n/cm 2 . The Finite Element model, realized with Cast3M CEA code, includes the effects of irradiation creep, which tends to produce secondary stress relaxation. Then, the Weibull weakest link theory is recalled, evaluating the possible effects of volume, stress field distribution (loading factor), and multiaxiality for graphite-type materials, and giving the methodology to compare the stress to rupture for the structure to the one obtained from characterization, in the general case. The maximum of the Weibull stress in Finite Element calculations is compared to the value for tensile specimens. It is found that the maximum of the stress corresponds to the end of the irradiation cycle, after reactor shutdown, since both thermal conductivity and Young's modulus increase with time. However, this behaviour is partly counterbalanced by the increase of material strength with irradiation. (authors)

  16. Effect of graphite reflector on activation of fusion breeding blanket

    International Nuclear Information System (INIS)

    Lee, Cheol Woo; Lee, Young-Ouk; Lee, Dong Won; Cho, Seungyon; Ahn, Mu-Young

    2016-01-01

    Highlights: • The graphite reflector concept has been applied in the design of the Korea HCCR TBM for ITER and this concept is also a candidate design option for Korea Demo. • In the graphite reflector, C-14, B-11 and Be-10 are produced after an irradiation. Impurities in both case of beryllium and graphite is dominant in the shutdown dose after an irradiation. • Based on the evaluation, the graphite reflector is a good alternative of the beryllium multiplier in the view of induced activity and shutdown dose. But C-14 produced in the graphite reflector should be considered carefully in the view of radwaste management. - Abstract: Korea has proposed a Helium-Cooled Ceramic Reflector (HCCR) breeding blanket concept relevant to fusion power plants. Here, graphite is used as a reflector material by reducing the amount of beryllium multiplier. In this paper, activity analysis was performed and the effect of graphite reflector in the view of activation was compared to the beryllium multiplier. As a result, it is expected that using the graphite reflector instead of the beryllium multiplier decreases total activity very effectively. But the graphite reflector produces C-14 about 17.2 times than the beryllium multiplier. Therefore, C-14 produced in the graphite reflector is expected as a significant nuclide in the view of radwaste management.

  17. 3-Dimensional atomic scale structure of the ionic liquid-graphite interface elucidated by AM-AFM and quantum chemical simulations

    Science.gov (United States)

    Page, Alister J.; Elbourne, Aaron; Stefanovic, Ryan; Addicoat, Matthew A.; Warr, Gregory G.; Voïtchovsky, Kislon; Atkin, Rob

    2014-06-01

    In situ amplitude modulated atomic force microscopy (AM-AFM) and quantum chemical simulations are used to resolve the structure of the highly ordered pyrolytic graphite (HOPG)-bulk propylammonium nitrate (PAN) interface with resolution comparable with that achieved for frozen ionic liquid (IL) monolayers using STM. This is the first time that (a) molecular resolution images of bulk IL-solid interfaces have been achieved, (b) the lateral structure of the IL graphite interface has been imaged for any IL, (c) AM-AFM has elucidated molecular level structure immersed in a viscous liquid and (d) it has been demonstrated that the IL structure at solid surfaces is a consequence of both thermodynamic and kinetic effects. The lateral structure of the PAN-graphite interface is highly ordered and consists of remarkably well-defined domains of a rhomboidal superstructure composed of propylammonium cations preferentially aligned along two of the three directions in the underlying graphite lattice. The nanostructure is primarily determined by the cation. Van der Waals interactions between the propylammonium chains and the surface mean that the cation is enriched in the surface layer, and is much less mobile than the anion. The presence of a heterogeneous lateral structure at an ionic liquid-solid interface has wide ranging ramifications for ionic liquid applications, including lubrication, capacitive charge storage and electrodeposition.In situ amplitude modulated atomic force microscopy (AM-AFM) and quantum chemical simulations are used to resolve the structure of the highly ordered pyrolytic graphite (HOPG)-bulk propylammonium nitrate (PAN) interface with resolution comparable with that achieved for frozen ionic liquid (IL) monolayers using STM. This is the first time that (a) molecular resolution images of bulk IL-solid interfaces have been achieved, (b) the lateral structure of the IL graphite interface has been imaged for any IL, (c) AM-AFM has elucidated molecular level

  18. Analysis of picosecond pulsed laser melted graphite

    International Nuclear Information System (INIS)

    Steinbeck, J.; Braunstein, G.; Speck, J.; Dresselhaus, M.S.; Huang, C.Y.; Malvezzi, A.M.; Bloembergen, N.

    1986-01-01

    A Raman microprobe and high resolution TEM have been used to analyze the resolidified region of liquid carbon generated by picosecond pulse laser radiation. From the relative intensities of the zone center Raman-allowed mode for graphite at 1582 cm -1 and the disorder-induced mode at 1360 cm -1 , the average graphite crystallite size in the resolidified region is determined as a function of position. By comparison with Rutherford backscattering spectra and Raman spectra from nonosecond pulsed laser melting experiments, the disorder depth for picosecond pulsed laser melted graphite is determined as a function of irradiating energy density. Comparisons of TEM micrographs for nanosecond and picosecond pulsed laser melting experiments show that the structure of the laser disordered regions in graphite are similar and exhibit similar behavior with increasing laser pulse fluence

  19. A standard graphite block

    Energy Technology Data Exchange (ETDEWEB)

    Ivkovic, M; Zdravkovic, Z; Sotic, O [Department of Reactor Physics and Dynamics, Boris Kidric Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)

    1966-04-15

    A graphite block was calibrated for the thermal neutron flux of the Ra-Be source using indium foils as detectors. Experimental values of the thermal neutron flux along the central vertical axis of the system were corrected for the self-shielding effect and depression of flux in the detector. The experimental values obtained were compared with the values calculated on the basis of solving the conservation neutron equation by the continuous slowing-down theory. In this theoretical calculation of the flux the Ra-Be source was divided into three resonance energy regions. The measurement of the thermal neutron diffusion length in the standard graphite block is described. The measurements were performed in the thermal neutron region of the system. The experimental results were interpreted by the diffusion theory for point thermal neutron source in the finite system. The thermal neutron diffusion length was calculated to be L= 50.9 {+-}3.1 cm for the following graphite characteristics: density = 1.7 g/cm{sup 3}; boron content = 0.1 ppm; absorption cross section = 3.7 mb.

  20. A standard graphite block

    International Nuclear Information System (INIS)

    Ivkovic, M.; Zdravkovic, Z.; Sotic, O.

    1966-04-01

    A graphite block was calibrated for the thermal neutron flux of the Ra-Be source using indium foils as detectors. Experimental values of the thermal neutron flux along the central vertical axis of the system were corrected for the self-shielding effect and depression of flux in the detector. The experimental values obtained were compared with the values calculated on the basis of solving the conservation neutron equation by the continuous slowing-down theory. In this theoretical calculation of the flux the Ra-Be source was divided into three resonance energy regions. The measurement of the thermal neutron diffusion length in the standard graphite block is described. The measurements were performed in the thermal neutron region of the system. The experimental results were interpreted by the diffusion theory for point thermal neutron source in the finite system. The thermal neutron diffusion length was calculated to be L= 50.9 ±3.1 cm for the following graphite characteristics: density = 1.7 g/cm 3 ; boron content = 0.1 ppm; absorption cross section = 3.7 mb