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Sample records for adiabatic heat-capacity calorimetry

  1. Accurate Measurement of Heat Capacity by Differential Scanning Calorimetry

    NASA Technical Reports Server (NTRS)

    1984-01-01

    Experience with high quality heat capacity measurement by differential scanning calorimetry is summarized and illustrated, pointing out three major causes of error: (1) incompatible thermal histories of the sample, reference and blank runs; (2) unstable initial and final isotherms; (3) incompatible differences between initial and final isotherm amplitudes for sample, reference and blank runs. Considering these problems, it is shown for the case of polyoxymethylene that accuracies in heat capacity of 0.1 percent may be possible.

  2. Heat Capacity Measurements by Simultaneous Relaxation and AC-Calorimetry

    NASA Astrophysics Data System (ADS)

    Kashuri, H.; Kashuri, K.; Iannacchione, G. S.

    2012-02-01

    A high-resolution method for measuring the heat capacity Cp using simultaneously AC and Relaxation Calorimetry techniques has been developed. This technique is useful for both first and second-order phase transitions of liquids and complex fluids. The difference of the Cp's measured by the Relaxation and AC calorimetry is a direct measurement of a phase transitions' latent heat. As a test, the Cp of two cyanobiphenyl liquid crystals, 5CB and 8CB, were measured using a square wave modulation pulse train over a base temperature range from 300 to 320 K in which 5CB exhibits a first-order phase transition and 8CB exhibits a first and second-order phase transition. Fourier transform analysis allows for the direct Cp measurement at the fundamental frequency of the square wave pulse train (as well as higher frequency orders) as function of temperature (i.e., AC-mode). The heating and cooling relaxations at the beginning and end of the square pulse heating allows for a relaxation analysis of Cp by applying the dual slope-method that includes all enthalpic conversions.

  3. A New Method for the Determination of the Specific Heat Capacity Using Laser-Flash Calorimetry Down to 77K

    NASA Astrophysics Data System (ADS)

    Göbel, A.; Hemberger, F.; Vidi, S.; Ebert, H.-P.

    2013-05-01

    A new method for evaluation of the specific heat capacity in the temperature regime between 77K and 330K using laser-flash calorimetry is presented. Usually, laser-flash calorimetry is accomplished by performing an additional laser-flash measurement on a reference specimen with a known specific heat capacity and by comparing the maximum rear-side temperatures rises. In this study, the calibration is achieved by comparison of the rear-side temperature rise to specific-heat-capacity data determined by other methods in an adjacent temperature regime. Subsequently, the thus yielded proportional factor is used for the evaluation of the specific heat capacity from laser-flash measurements at temperatures where no specific-heat-capacity data are available. The reliability of this method is shown by performing measurements on a material with known specific heat capacity, aluminum oxide. Furthermore, the specific heat capacity and thermal conductivity of borosilicate crown glass (BK7) was determined experimentally.

  4. Technique for determination of accurate heat capacities of volatile, powdered, or air-sensitive samples using relaxation calorimetry

    NASA Astrophysics Data System (ADS)

    Marriott, Robert A.; Stancescu, Maria; Kennedy, Catherine A.; White, Mary Anne

    2006-09-01

    We introduce a four-step technique for the accurate determination of the heat capacity of volatile or air-sensitive samples using relaxation calorimetry. The samples are encapsulated in a hermetically sealed differential scanning calorimetry pan, in which there is an internal layer of Apiezon N grease to assist thermal relaxation. Using the Quantum Design physical property measurement system to investigate benzoic acid and copper standards, we find that this method can lead to heat capacity determinations accurate to ±2% over the temperature range of 1-300K, even for very small samples (e.g., <10mg and contributing ca. 20% to the total heat capacity).

  5. A sample-saving method for heat capacity measurements on powders using relaxation calorimetry.

    PubMed

    Dachs, Edgar; Benisek, Artur

    2011-08-01

    An experimental method is described for determining the low-temperature heat capacity (C(p)) of mg-sized powder samples using the Quantum Design "Physical Properties Measurement System" (PPMS). The powder is contained in an Al pan as an ∼1 mm thick compressed layer. The sample is not mixed with Apiezon N grease, as compared to other methods. Thus, it is not contaminated and can be used for further study. This is necessary for samples that are only available in tiny amounts. To demonstrate the method various samples, all insulating in nature, were studied including benzoic acid, sapphire and different silicate minerals. The measurements show that the method has an accuracy in C(p) to better than 1% at T above 30-50 K and ±3-5% up to ±10% below. The experimental procedure is based on three independent PPMS and three independent differential scanning calorimetry (DSC) measurements. The DSC C(p) data are used to slightly adjust the PPMS C(p) data by a factor CpDSC/CpPPMSat298K. This is done because heat capacities measured with a DSC device are more accurate around ambient T (⩽0.6%) than PPMS values and is possible because the deviation of PPMS heat capacities from reference values is nearly constant between about 50 K and 300 K. The resulting standard entropies agree with published reference values within 0.21% for the silicates, by 0.34% for corundum, and by 0.9% for powdered benzoic acid. The method thus allows entropy determinations on powders with an accuracy of better than 1%. The advantage of our method compared to other experimental techniques is that the sample powder is not contaminated with grease and that heat capacity values show less scatter at high temperatures.

  6. High-temperature adiabatic calorimeter for constant-volume heat capacity measurements of compressed gases and liquids

    SciTech Connect

    Magee, J.W.; Deal, R.J.; Blanco, J.C.

    1998-01-01

    A high-temperature adiabatic calorimeter has been developed to measure the constant-volume specific heat capacities (c{sub v}) of both gases and liquids, especially fluids of interest to emerging energy technologies. The chief design feature is its nearly identical twin bomb arrangement, which allows accurate measurement of energy differences without large corrections for energy losses due to thermal radiation fluxes. Operating conditions for the calorimeter cover a range of temperatures from 250 K to 700 K and at pressures up to 20 MPa. Performance tests were made with a sample of twice-distilled water. Heat capacities for water were measured from 300 K to 420 K at pressures to 20 MPa. The measured heat capacities differed from those calculated with an independently developed standard reference formulation with a root-mean-square fractional deviation of 0.48%.

  7. THE HEAT CAPACITY OF FLUORINATED PROPANE AND BUTANE DERIVATIVES BY DIFFERENTIAL SCANNING CALORIMETRY

    EPA Science Inventory

    The paper gives results of the measurement (to 3% accuracy) of the constant-pressure liquid-phase heat capacities of 21 hydrogen-containing fluorinated propane and butane derivatives and one fluorinated ether (CF3OCF2H) with boiling points ranging from -34.6 to 76.7 C, using diff...

  8. Thermal characterization of starch-water system by photopyroelectric technique and adiabatic scanning calorimetry

    NASA Astrophysics Data System (ADS)

    Cruz-Orea, A.; Bentefour, E. H.; Jamée, P.; Chirtoc, M.; Glorieux, C.; Pitsi, G.; Thoen, J.

    2003-01-01

    Starch is one of the most important carbohydrate sources in human nutrition. For the thermal analysis of starch, techniques such as differential scanning calorimetry have been extensively used. As an alternative, we have applied a photopyroelectric (PPE) configuration and adiabatic scanning calorimetry (ASC) to study the thermal properties of starch-water systems. For this study we used nixtamalized corn flour and potato starch with different quantities of distilled water, in order to obtain samples with different moisture content. By using PPE and ASC methods we have measured, for each technique separately, the heat capacity by unit volume (ρcp) at room temperature for a corn flour sample at 90% moisture. The obtained values agree within experimental uncertainty. By using these techniques we also studied the thermal behavior of potato starch, at 80% moisture, in the temperature range where phase transitions occur. In this case the PPE signal phase could be used as a sensitive and versatile monitor for phase transitions.

  9. Practical approach for measuring heat capacity of pharmaceutical crystals/glasses by modulated-temperature differential scanning calorimetry.

    PubMed

    Harada, Takuji; Kawakami, Kohsaku; Yoshihashi, Yasuo; Yonemochi, Etsuo; Terada, Katsuhide; Moriyama, Hiroshi

    2013-01-01

    A practical protocol to obtain accurate heat capacity values of pharmaceutical compounds using modulated-temperature differential scanning calorimetry was established. Three pharmaceutical compounds, acetaminophen, indomethacin, and tri-O-methyl-β-cyclodextrin were used as model compounds. Powder samples did not produce reproducible results, presumably due to inclusion of gas in gap of powders that influenced the measured heat capacity and thermal homogeneity in the sample. Thus, the amorphous characteristics were evaluated using quench-cooled samples. Crystalline samples were obtained by partially melting the sample to allow recrystallization using the residual crystal as a template. Optimum sample mass was about 10 mg. Use of too small sample size resulted in poor reproducibility due to localization of the sample in the pan, while too large size resulted in low heat capacity values probably because of heterogeneity of the sample temperature. The optimum modulation period was in the range of 60 s and 90 s, to which the ramp rates of 2°C/min and 1°C/min, respectively, were applied. The ramp amplitude was less significant in the evaluation. This information should help in comprehending basic characteristics of pharmaceutical compounds.

  10. Heat capacity and entropy of Ni2SiO4-olivine from 5 to 1000 K and heat capacity of Co2SiO4 from 360 to 1000 K.

    USGS Publications Warehouse

    Robie, R.A.; Hemingway, B.S.; Ito, J.; Krupka, K.M.

    1984-01-01

    The heat capacity of Ni2SiO4-olivine has been measured between 5 and 387 K by cryogenic adiabatic-shield calorimetry and between 360 and 1000 K by differential scanning calorimetry. The heat capacity of Co2SiO4-olivine was measured between 360 and 1000 K by differential scanning calorimetry.-J.A.Z.

  11. The Adiabatic Expansion of Gases and the Determination of Heat Capacity Ratios: A Physical Chemistry Experiment.

    ERIC Educational Resources Information Center

    Moore, William M.

    1984-01-01

    Describes the procedures and equipment for an experiment on the adiabatic expansion of gases suitable for demonstration and discussion in the physical chemical laboratory. The expansion produced shows how the process can change temperature and still return to a different location on an isotherm. (JN)

  12. High Temperature Heat Capacity of Alloy D9 Using Drop Calorimetry Based Enthalpy Increment Measurements

    NASA Astrophysics Data System (ADS)

    Banerjee, Aritra; Raju, S.; Divakar, R.; Mohandas, E.

    2007-02-01

    Alloy D9 is a void-swelling resistant nuclear grade austenitic stainless steel (SS) based on AISI type 316-SS in which titanium constitutes an added predetermined alloying composition. In the present study, the high-temperature enthalpy values of alloy D9 with three different titanium-to-carbon mass percent ratios, namely Ti/C = 4, 6, and 8, have been measured using inverse drop calorimetry in the temperature range from 295 to 1323 K. It is found that within the level of experimental uncertainty, the enthalpy values are independent of the Ti-C mass ratio. The temperature dependence of the isobaric specific heat C P is obtained by a linear regression of the measured enthalpy data. The measured C P data for alloy D9 may be represented by the following best-fit expression: C_P(J \\cdot kg^{-1}\\cdot K^{-1})= 431 + 17.7 × 10^{-2}T + 8.72 × 10^{-5}/T^2. It is found that the measured enthalpy and specific heat values exhibit good agreement with reported data on 316 and other related austenitic stainless steels.

  13. Hydroxylamine nitrate self-catalytic kinetics study with adiabatic calorimetry.

    PubMed

    Liu, Lijun; Wei, Chunyang; Guo, Yuyan; Rogers, William J; Sam Mannan, M

    2009-03-15

    Hydroxylamine nitrate (HAN) is an important member of the hydroxylamine compound family with applications that include equipment decontamination in the nuclear industry and aqueous or solid propellants. Due to its instability and autocatalytic behavior, HAN has been involved in several incidents at the Hanford and Savannah River Site (SRS) [Technical Report on Hydroxylamine Nitrate, US Department of Energy, 1998]. Much research has been conducted on HAN in different areas, such as combustion mechanism, decomposition mechanism, and runaway behavior. However, the autocatalytic decomposition behavior of HAN at runaway stage has not been fully addressed due to its highly exothermic and rapid decomposition behavior. This work is focused on extracting HAN autocatalytic kinetics and analyzing HAN critical behavior from adiabatic calorimetry measurements. A lumped autocatalytic kinetic model for HAN and associated model parameters are determined. Also the storage and handling critical conditions of diluted HAN solution without metal presence are quantified.

  14. Low-Temperature Polymorphic Phase Transition in a Crystalline Tripeptide l-Ala-l-Pro-Gly·H2O Revealed by Adiabatic Calorimetry

    PubMed Central

    Markin, Alexey V.; Markhasin, Evgeny; Sologubov, Semen S.; Ni, Qing Zhe; Smirnova, Natalia N.; Griffin, Robert G.

    2015-01-01

    We demonstrate application of precise adiabatic vacuun calorimetry to observation of phase transition in the tripeptide l-alanyl-l-prolyl-glycine monohydrate (APG) from 6 to 320 K and report the standard thermodynamic properties of the tripeptide in the entire range. Thus, the heat capacity of APG was measured by adiabatic vacuun calorimetry in the above temperature range. The tripeptide exhibits a reversible first-order solid-to-solid phase transition characterized by strong thermal hysteresis. We report the standard thermodynamic characteristics of this transition and show that differential scanning calorimetry can reliably characterize the observed phase transition with <5 mg of the sample. Additionally, the standard entropy of formation from the elemental substances and the standard entropy of hypothetical reaction of synthesis from the amino acids at 298.15 K were calculated for the studied tripeptide. PMID:25588051

  15. Adiabatic calorimetry (RSST and VSP) tests with sodium acetate

    SciTech Connect

    Kirch, N.W.

    1993-09-01

    As requested in the subject reference, adiabatic calorimetry (RSST and VSP) tests have been performed with sodium acetate covering TOC concentrations from 3 to 7% with the following results: Exothermic activity noted around 200{degrees}C. Propagating reaction initiated at about 300{degrees}C. Required TOC concentration for propagation estimated at about 6 w% (dry mixture) or about 20 w% sodium acetate. Heat of reaction estimated to be 3.7 MJ per kg of sodium acetate (based on VSP test with 3 w% TOC and using a dry mixture specific heat of 1000 J kg{sup {minus}1} K{sup {minus}1}). Based upon the above results we estimate that a moisture content in excess of 14 w% would prevent a propagating reaction of a stoichiometric mixture of fuel and oxidizer ({approximately} 38 w% sodium acetate and {approximately}62 w% sodium nitrate). Assuming that the fuel can be treated as sodium acetate equivalent, and considering that the moisture content in the organic containing waste generally is believed to be in excess of 14 w%, it follows that the possibility of propagating reactions in the Hanford waste tanks can be ruled out.

  16. Adiabatic Calorimetry as Support to the Certification of High-Purity Liquid Reference Materials

    NASA Astrophysics Data System (ADS)

    Baldan, A.; Bosma, R.; Peruzzi, A.; van der Veen, A. M. H.; Shimizu, Y.

    2009-02-01

    The certification of high-purity liquid reference materials is supported by several analytical techniques (e.g., gas chromatography, liquid chromatography, Karl Fischer coulometry, inductively coupled plasma mass spectrometry, differential scanning calorimetry, adiabatic calorimetry). Most of them provide information on a limited set of specific impurities present in the sample (indirect methods). Adiabatic calorimetry [1] complementarily provides the overall molar fraction of impurities with sensitivity down to few μmol · mol-1 without giving any information about the nature of the impurities present in the sample (direct method). As the combination of adiabatic calorimetry with one (or more than one) indirect chemical techniques was regarded as an optimal methodology, NMi VSL developed an adiabatic calorimetry facility for the purity determination of high-purity liquid reference materials [2]. Within the framework of collaboration with NMIJ, a benzene-certified reference material (NMIJ CRM 4002) from NMIJ was analyzed by adiabatic calorimetry at NMi VSL. The results of this measurement are reported in this paper. Good agreement with the NMIJ-certified purity value (99.992 ± 0.003) cmol · mol-1 was found. The influence of different data analysis approaches (e.g., extrapolation functions, melting ranges) on the measurement results is reported. The uncertainty of the measured purity was estimated.

  17. Heat capacities and thermodynamic properties of annite (aluminous iron biotite)

    USGS Publications Warehouse

    Hemingway, B.S.; Robie, R.A.

    1990-01-01

    The heat capacities have been measured between 7 and 650 K by quasi-adiabatic calorimetry and differential scanning calorimetry. At 298.15 K and 1 bar, the calorimetric entropy for our sample is 354.9??0.7 J/(mol.K). A minimum configurational entropy of 18.7 J/(mol.K) for full disorder of Al/Si in the tetrahedral sites should be added to the calorimetric entropy for third-law calculations. The heat capacity equation [Cp in units of J/mol.K)] Cp0 = 583.586 + 0.075246T - 3420.60T-0.5 - (4.4551 ?? 106)T-2 fits the experimental and estimated heat capacities for our sample (valid range 250 to 1000 K) with an average deviation of 0.37%. -from Authors

  18. Thermolysis, nonisothermal decomposition kinetics, specific heat capacity and adiabatic time-to-explosion of [Cu(NH3)4](DNANT)2 (DNANT= dinitroacetonitrile).

    PubMed

    Zhang, Yu; Wu, Hao; Xu, Kangzhen; Zhang, Wantao; Ren, Zhaoyu; Song, Jirong; Zhao, Fengqi

    2014-02-20

    A new energetic copper complex of dinitroacetonitrile (DNANT), [Cu(NH3)4](DNANT)2, was first synthesized through an unexpected reaction. The thermal decomposition of [Cu(NH3)4](DNANT)2 was studied with DSC and TG/DTG methods. The gas products were analyzed through a TG-FTIR-MS method. The nonisothermal kinetic equation of the exothermic process is dα/dT = 10(10.92)/β4(1 - α)[-ln(1 - α)](3/4) exp(-1.298 × 10(5)/RT). The self-accelerating decomposition temperature and critical temperature of thermal explosion are 217.9 and 221.0 °C. The specific heat capacity of [Cu(NH3)4](DNANT)2 was determined with a micro-DSC method, and the molar heat capacity is 512.6 J mol(-1) K(-1) at 25 °C. Adiabatic time-to-explosion of Cu(NH3)4(DNANT)2 was also calculated to be about 137 s.

  19. Determination of caloric values of agricultural crops and crop waste by Adiabatic Bomb Calorimetry

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Calorific values of agricultural crops and their waste were measured by adiabatic bomb calorimetry. Sustainable farming techniques require that all potential sources of revenue be utilized. A wide variety of biomass is beginning to be used as alternative fuels all over the world. The energy potentia...

  20. Heat Capacities of Natural Antlerite and Brochantite at Low Temperature.

    PubMed

    Bissengaliyeva, Mira R; Bekturganov, Nuraly S; Gogol, Daniil B; Taimassova, Shynar T; Koketai, Temirgaly A; Bespyatov, Michael A

    2013-11-14

    The investigation of a magnetic component of the heat capacity of natural samples of copper sulfates antlerite Cu3SO4(OH)4 in the temperature range below 40 K and brochantite Cu4SO4(OH)6 below 55 K has been carried out. A regular component of the heat capacity has been calculated from experimental data of adiabatic calorimetry. In the low-temperature area of (0 to 55) K two peaks of magnetic heat capacity for brochantite have been registered. The contributions of anomalous component ΔStr into entropy of the minerals are (11 ± 3) J·mol(-1)·K(-1) for antlerite and (5.3 ± 1.5) J·mol(-1)·K(-1) for brochantite.

  1. Heat Capacities of Natural Antlerite and Brochantite at Low Temperature.

    PubMed

    Bissengaliyeva, Mira R; Bekturganov, Nuraly S; Gogol, Daniil B; Taimassova, Shynar T; Koketai, Temirgaly A; Bespyatov, Michael A

    2013-11-14

    The investigation of a magnetic component of the heat capacity of natural samples of copper sulfates antlerite Cu3SO4(OH)4 in the temperature range below 40 K and brochantite Cu4SO4(OH)6 below 55 K has been carried out. A regular component of the heat capacity has been calculated from experimental data of adiabatic calorimetry. In the low-temperature area of (0 to 55) K two peaks of magnetic heat capacity for brochantite have been registered. The contributions of anomalous component ΔS tr into entropy of the minerals are (11 ± 3) J·mol(-1)·K(-1) for antlerite and (5.3 ± 1.5) J·mol(-1)·K(-1) for brochantite. PMID:24249917

  2. Schottky contribution to the heat capacity of monazite type (La, Pr)PO4 from low temperature calorimetry and fluorescence measurements

    NASA Astrophysics Data System (ADS)

    Bauer, J. D.; Hirsch, A.; Bayarjargal, L.; Peters, L.; Roth, G.; Winkler, B.

    2016-06-01

    We show that the combination of fluorescence spectroscopy and low temperature heat capacity measurements of Pr-containing samples in the (La, Pr)PO4 solid solution series can be employed to strongly constrain the Stark energy levels of Pr3+ in monazite type structures. The resulting set of Stark energy levels for the 3H4 ground state of Pr3+ reproduces the low temperature Schottky anomaly of the heat capacity much more accurately than theoretical models published earlier. We also show that there is no excess heat capacity along the binary solid solution with respect to an interpolation between the two end members LaPO4 and PrPO4.

  3. Heat capacity, configurational heat capacity and fragility of hydrous magmas

    NASA Astrophysics Data System (ADS)

    Di Genova, D.; Romano, C.; Giordano, D.; Alletti, M.

    2014-10-01

    The glassy and liquid heat capacities of four series of dry and hydrous natural glasses and magma as a function of temperature and water content (up to 19.9 mol%) were investigated using differential scanning calorimetry (DSC). The analyzed compositions are basalt, latite, trachyte and pantellerite. The results of this study indicate that the measured heat capacity of glasses (Cpg) is a linear function of composition and is well reproduced by the empirical model of Richet (1987). For the investigated glasses, the partial molar heat capacity of water can be considered as independent of composition, in agreement with Bouhifd et al. (2006). For hydrous liquids, the heat capacity (Cpliq) decreases nonlinearly with increasing water content. Previously published models, combined with the partial molar heat capacity of water from the literature, are not able to reproduce our experimental data in a satisfactory way. We estimated the partial molar heat capacity of water (CpH2O) in hydrous magma over a broad compositional range. The proposed value is 41 ± 3 J mol-1 K-1. Water strongly affects the configurational heat capacity at the glass transition temperature [Cpconf (Tg)]. An increases of Cpconf (Tg) with water content was measured for the polymerized liquids (trachyte and pantellerite), while the opposite behavior was observed for the most depolymerized liquids (basalt and latite). Structural and rheological implications of this behavior are discussed in light of the presented results.

  4. Introduction of Differential Scanning Calorimetry in a General Chemistry Laboratory Course: Determination of Heat Capacity of Metals and Demonstration of Law of Dulong and Petit

    ERIC Educational Resources Information Center

    D'Amelia, Ronald P.; Stracuzzi, Vincent; Nirode, William F.

    2008-01-01

    Today's general chemistry students are introduced to many of the principles and concepts of thermodynamics. In first-year general chemistry undergraduate courses, thermodynamic properties such as heat capacity are frequently discussed. Classical calorimetric methods of analysis and thermal equilibrium experiments are used to determine heat…

  5. MEASUREMENT OF SPECIFIC HEAT CAPACITY OF SALTSTONE

    SciTech Connect

    Harbour, J; Vickie Williams, V

    2008-09-29

    One of the goals of the Saltstone variability study is to identify (and quantify the impact of) the operational and compositional variables that control or influence the important processing and performance properties of Saltstone grout mixtures. The heat capacity of the Saltstone waste form is one of the important properties of Saltstone mixes that was last measured at SRNL in 1997. It is therefore important to develop a core competency for rapid and accurate analysis of the specific heat capacity of the Saltstone mixes in order to quantify the impact of compositional and operational variations on this property as part of the variability study. The heat capacity, coupled with the heat of hydration data obtained from isothermal calorimetry for a given Saltstone mix, can be used to predict the maximum temperature increase in the cells within the vaults of the Saltstone Disposal Facility (SDF). The temperature increase controls the processing rate and the pour schedule. The maximum temperature is also important to the performance properties of the Saltstone. For example, in mass pours of concrete or grout of which Saltstone is an example, the maximum temperature increase and the maximum temperature difference (between the surface and the hottest location) are controlled to ensure durability of the product and prevent or limit the cracking caused by the thermal gradients produced during curing. This report details the development and implementation of a method for the measurement of the heat capacities of Saltstone mixes as well as the heat capacities of the cementitious materials of the premix and the simulated salt solutions used to batch the mixes. The developed method utilizes the TAM Air isothermal calorimeter and takes advantage of the sophisticated heat flow measurement capabilities of the instrument. Standards and reference materials were identified and used to validate the procedure and ensure accuracy of testing. Heat capacities of Saltstone mixes were

  6. Specific Heat Capacity of Nitrobenzene-Tetradecane Near the Liquid-Liquid Critical Point

    NASA Astrophysics Data System (ADS)

    Losada-Perez, P.; Cordoyiannis, G.; Cerdeiriña, C. A.; Glorieux, C.; Thoen, J.

    2010-05-01

    High-resolution adiabatic scanning calorimetry has been used to study the specific heat capacity anomaly of the nitrobenzene-tetradecane mixture near its upper critical point. The analysis, which is based on a method that uses heat capacity and enthalpy data, yields a value of the critical amplitude ratio A +/ A - which is consistent with the universal, accepted one. The critical amplitude of the correlation length was derived via two-scale factor universality. All this information is compared to that reported in previous studies for nitrobenzene-alkane mixtures.

  7. Adiabatic Calorimetry Approach to Assess Thermal Influences on the Indium Melting Point

    NASA Astrophysics Data System (ADS)

    Failleau, G.; Fleurence, N.; Morice, R.; Gaviot, E.; Rénaot, E.

    2010-09-01

    Within the framework of the Euramet project 732, LCM/LNE-CNAM has recently proposed a new device to investigate the melting point of indium (156.5985 °C) by the way of an adiabatic calorimetry approach. An apparatus based on a cell-within-cell configuration was developed and experimentally tested. First results highlighted parasitic heat flows due to the geometrical characteristics of the cell, disturbing significantly the isothermal condition within the calorimeter. Such thermal effects were also clearly identified with a specific numerical model developed for this purpose. Considering the remarkable agreement between the model and relevant experiments, an optimization step has been carried out to design a suitable cell geometry. A new enhanced cell was subsequently fabricated and arranged within the calorimeter (indium load of 122.32 g). The purpose of this article is to introduce the thermal behavior of such a highly effective apparatus, while presenting some series of measurements; on the one hand, the melting point of indium under adiabatic conditions is studied, and on the other hand, the so-called continuous heat flow method under isothermal conditions is worked out. The obtained results are discussed and analyzed according to the impurity concentrations into the ingot (sum of individual estimate method).

  8. Order of phase transitions and tricriticality in mixtures of octyloxycyanobiphenyl and nonyloxycyanobiphenyl liquid crystals: a high-resolution study by adiabatic scanning calorimetry.

    PubMed

    Cordoyiannis, George; Tripathi, Chandra Shekhar Pati; Glorieux, Christ; Thoen, Jan

    2010-09-01

    A detailed study has been performed for mixtures of octyloxycyanobiphenyl (8OCB) and nonyloxycyanobiphenyl (9OCB) liquid crystals and nine of their mixtures by means of high-resolution adiabatic scanning calorimetry. The isotropic to nematic transitions are weakly first order with latent heat values in the range usually encountered for this transition in other liquid crystals. With the exception of pure 8OCB, for which only an upper limit of 1.8 J  kg(-1) for the latent heat could be established, finite latent heats have been obtained for the nematic to smectic-A transition of all the mixtures and of pure 9OCB. The concentration dependence of their latent heats could be well fitted with a crossover function consistent with a mean-field free-energy expression that has a nonzero cubic term induced by the Halperin-Lubensky-Ma (HLM) coupling between the smectic-A order parameter and the orientational director fluctuations. Clearly first-order transitions with measurable latent heats are found for mole fractions of 9OCB in the mixtures where the effective critical exponent for the specific-heat capacity has substantially lower values than the tricritical one (0.5). This is qualitatively different from what has been observed so far in other liquid-crystal systems and yields strong experimental evidence from a calorimetric experiment for the HLM coupling between the smectic-A order parameter and the director orientation fluctuations.

  9. Heat capacity and thermodynamic functions for gehlenite and staurolite: with comments on the Schootky anomaly in the heat capacity of staurolite.

    USGS Publications Warehouse

    Hemingway, B.S.; Robie, R.A.

    1984-01-01

    The heat capacities of a synthetic gehlenite and a natural staurolite were measured from 12 and 5 K, respectively, to 370 K by adiabatic calorimetry, and the heat capacities of staurolite were measured to 900 K by differential scanning calorimetry. At 298.15 K and 1 bar the entropy of gehlenite is 210.1 + or - 0.6 J/(mol.K) and that of staurolite is 1019.6 + or - 12.0 for H2Al2Fe4Al16Si8O48 and 1101.0 + or - 12.0 for 103(H3Al1.15Fe2+0.60)- 324(Fe2+2.07Fe3+0.54 Ti0.08Mn0.02Al1.19)(Mg0.44Al15.26)Si8O48. -J.A.Z.

  10. Heat capacity of solid proteins by thermal analysis

    SciTech Connect

    Zhang, Ge; Wunderlich, B.

    1997-11-01

    In a continuing effort to better understand the thermodynamic properties of proteins, solid state heat capacities of poly(amino acid)s of all 21 naturally occurring amino 4 copoly(amino acid)s and about 10 proteins have been analyzed by now using the Advanced Thermal Analysis System, ATHAS. The experimental measurements were performed with adiabatic and differential scanning calorimetry from 10 to about 450 K. The heat capacities of the samples in their pure, solid states are linked to an approximate vibrational spectrum by making use of known group vibrations and a set of parameters, {Theta}{sub 1} and {Theta}{sub 3}, of the Tarasov function for the skeletal vibrations. Good agreement is found between experiment and calculation with root mean square errors mostly within {+-}3%. The experimental data were analyzed also with an empirical addition scheme using data for the poly(amino acid)s. Based on this study, vibrational heat capacity can now be predicted for all proteins with an accuracy comparable to common experiments. Furthermore, gradual transitions, indicative of molecular motion prior to devitrification, melting, or decomposition, can be identified. The new experimental data compared here with the prior samples are: bovine {beta}-lactoglobulin, chicken lysozyme and ovalbumin.

  11. Heat Capacity Analysis Report

    SciTech Connect

    A. Findikakis

    2004-11-01

    The purpose of this report is to provide heat capacity values for the host and surrounding rock layers for the waste repository at Yucca Mountain. The heat capacity representations provided by this analysis are used in unsaturated zone (UZ) flow, transport, and coupled processes numerical modeling activities, and in thermal analyses as part of the design of the repository to support the license application. Among the reports that use the heat capacity values estimated in this report are the ''Multiscale Thermohydrologic Model'' report, the ''Drift Degradation Analysis'' report, the ''Ventilation Model and Analysis Report, the Igneous Intrusion Impacts on Waste Packages and Waste Forms'' report, the ''Dike/Drift Interactions report, the Drift-Scale Coupled Processes (DST and TH Seepage) Models'' report, and the ''In-Drift Natural Convection and Condensation'' report. The specific objective of this study is to determine the rock-grain and rock-mass heat capacities for the geologic stratigraphy identified in the ''Mineralogic Model (MM3.0) Report'' (BSC 2004 [DIRS 170031], Table 1-1). This report provides estimates of the heat capacity for all stratigraphic layers except the Paleozoic, for which the mineralogic abundance data required to estimate the heat capacity are not available. The temperature range of interest in this analysis is 25 C to 325 C. This interval is broken into three separate temperature sub-intervals: 25 C to 95 C, 95 C to 114 C, and 114 C to 325 C, which correspond to the preboiling, trans-boiling, and postboiling regimes. Heat capacity is defined as the amount of energy required to raise the temperature of a unit mass of material by one degree (Nimick and Connolly 1991 [DIRS 100690], p. 5). The rock-grain heat capacity is defined as the heat capacity of the rock solids (minerals), and does not include the effect of water that exists in the rock pores. By comparison, the rock-mass heat capacity considers the heat capacity of both solids and pore

  12. Heat capacities and thermodynamic functions for beryl, Be3Al2Si6O18, phenakite, Be2SiO4, euclase, BeAlSiO4(OH), bertrandite, Be4Si2O7(OH)2, and chrysoberyl, BeAl2O4.

    USGS Publications Warehouse

    Hemingway, B.S.; Barton, M.D.; Robie, R.A.; Haselton, H.T.

    1986-01-01

    The heat capacities of beryl, phenakite, euclase and bertrandite have been measured between approx 5 and 800 K by combined quasi-adiabatic cryogenic calorimetry and differential scanning calorimetry. The heat capacities of chrysoberyl have been measured from 340 to 800 K. The resulting data have been combined with solution and phase-equilibrium experimental data and simultaneously adjusted using the programme PHAS20 to provide an internally consistent set of thermodynamic properties for several important beryllium phases. The experimental heat capacities and tables of derived thermodynamic properties are presented.-J.A.Z.

  13. Nonequilibrium heat capacity.

    PubMed

    Mandal, Dibyendu

    2013-12-01

    Development of steady state thermodynamics and statistical mechanics depends crucially on our ability to extend the notions of equilibrium thermodynamics to nonequilibrium steady states (NESS). The present paper considers the extension of heat capacity. A modified definition is proposed which continues to maintain the same relation to steady state Shannon entropy as in equilibrium, thus providing a thermodynamically consistent treatment of NESS heat capacity.

  14. Liquid heat capacity lasers

    DOEpatents

    Comaskey, Brian J.; Scheibner, Karl F.; Ault, Earl R.

    2007-05-01

    The heat capacity laser concept is extended to systems in which the heat capacity lasing media is a liquid. The laser active liquid is circulated from a reservoir (where the bulk of the media and hence waste heat resides) through a channel so configured for both optical pumping of the media for gain and for light amplification from the resulting gain.

  15. Heat capacity of coal chars

    SciTech Connect

    Wang, W.Y.

    1982-01-01

    The selected starting materials were, a North Dakota lignite, an Illinois No. 6 bituminous and a Virginia coking coal. The carbon content of these coals ranged from 59 to 75 wt% (mineral matter included). Half of each of the received coal sample was demineralized using a standard procedure. Chars were prepared from the received and demineralized pulverized coals by pyrolysis. Heating rate of 5/sup 0/C/minute was employed for the pyrolysis under dry nitrogen gas atmosphere. The pyrolysis temperatures were 700, 900 and 1100/sup 0/C for periods of 0.1, 1 and 24. The char samples were characterized by chemical composition analysis, x-ray diffraction and porosimetry. Heat capacity data were collected over 75 to 300/sup 0/K temperature range using an adiabatic calorimeter. The heat capacity of these samples increases, with increasing temperature and moisture content, and its behavior and order of magnitude are similar to that of carbon when compared on a moisture free basis. Due to the uncertainties of the chemical forms of the mineral matter and the water phase below room temperature, all the heat capacity data are analyzed on a dry mineral matter free basis.

  16. Knudsen heat capacity

    SciTech Connect

    Babac, Gulru; Reese, Jason M.

    2014-05-15

    We present a “Knudsen heat capacity” as a more appropriate and useful fluid property in micro/nanoscale gas systems than the constant pressure heat capacity. At these scales, different fluid processes come to the fore that are not normally observed at the macroscale. For thermodynamic analyses that include these Knudsen processes, using the Knudsen heat capacity can be more effective and physical. We calculate this heat capacity theoretically for non-ideal monatomic and diatomic gases, in particular, helium, nitrogen, and hydrogen. The quantum modification for para and ortho hydrogen is also considered. We numerically model the Knudsen heat capacity using molecular dynamics simulations for the considered gases, and compare these results with the theoretical ones.

  17. Heat capacities and thermodynamic properties of braunite (Mn7 SiO12) and rhodonite (MnSiO3)

    USGS Publications Warehouse

    Robie, R.A.; Huebner, J.S.; Hemingway, B.S.

    1995-01-01

    The heat capacities, C0P, of synthetic rhodonite and braunite have been measured by adiabatic calorimetry from 6 to ~350 K. The heat capacity of braunite was also measured to ~900 K by differential scanning calorimetry. Brunite exhibits a ??-peak in C0P in the temperature region 93.4-94.2 K. Rhodonite did not show the expected peak in C0P characteristic of the co-operative ordering of the Mn2+ spins at temperatures above 6 K. A revised petrogenetic grid for the system Mn-Si-O-C at 2000 bars is presented and is consistent with both thermochemical values and occurrence of natural assemblages. -from Authors

  18. Heat capacities of crystalline tetraalkylammonium salts

    NASA Astrophysics Data System (ADS)

    Manin, N. G.; Kustov, A. V.; Antonova, O. A.

    2012-05-01

    The behavior of crystalline tetraalkylammonium salts at 290-350 K was studied by differential scanning calorimetry. For tetraethyl- and tetrabutylammonium bromides (Et4NBr and Bu4NBr), the experimental heat capacities agreed well with the literature values. For tetrahexyl-, tetraheptyl-, and tetraoctylam-monium bromides (Hex4NBr, Hep4NBr, and Oct4NBr), phase transitions were found between crystal modifications whose characteristic temperatures depended significantly on the size of the cation. Empirical equations for the temperature dependences of the heat capacities of the salts within the ranges of homogeneous equilibrium phases were derived.

  19. Heat capacities and entropies of rhodochrosite (MnCO3) and siderite (FeCO3) between 5 and 600 K.

    USGS Publications Warehouse

    Robie, R.A.; Haselton, H.T.; Hemingway, B.S.

    1984-01-01

    The heat capacities of rhodochrosite, (Mn0.994Fe0.005Mg0.001)CO3, and siderite, 171(Fe0.956Mn0.042Mg0.002)CO3, were measured between 5 and 550 K by combined cryogenic-adiabatic and differential scanning calorimetry. These new data were used to reanalyse the thermodynamic properties of these phases.-J.A.Z.

  20. Heat Capacity of Hydrous Silicate Melts

    NASA Astrophysics Data System (ADS)

    Robert, G.; Whittington, A. G.; Stechern, A.; Behrens, H.

    2015-12-01

    We determined the heat capacities of four series of glasses and liquids of basaltic and basaltic andesite compositions including two natural remelts from Fuego volcano, Guatemala, and two Fe-free analogs. The samples are low-alkali, Ca- and Mg-rich aluminosilicates with non-bridging oxygen to tetrahedrally-coordinated cation ratios (NBO/T) ranging between 0.33 and 0.67. Differential scanning calorimetry measurements were performed at atmospheric pressure between room temperature and ≈100 K above the glass transition for hydrous samples and up to ≈1800 K for dry samples. The water contents investigated range up to 5.34 wt.% (16.4 mol%). Water does not measurably affect the heat capacity of glasses (T heat capacity, which generally gets larger with increasing water content and with decreasing polymerization. The onset of the glass transition in hydrous samples also occurs below the Dulong-Petit limit of 3R/g atom. We see little change in liquid heat capacity with increasing water content; hydrous liquid heat capacities are within 3-6% of the dry liquid, at low temperatures just above the glass transition. However, dry liquids show a decrease in heat capacity with increasing temperature above the glass transition, from supercooled to superliquidus temperatures. Liquid heat capacity values just above the glass transition range between 95-100 J/mol K, whereas liquid heat capacity values at superliquidus temperatures are between 85-91 J/mol K. Comparison with other studies of the heat capacity of hydrous glasses and liquids shows that the liquid heat capacity of strongly depolymerized samples (NBO/T ≥ 0.8) increases with increasing water content, whereas depolymerized samples (0.4 ≤ NBO/T ≤ 0.8) or polymerized samples (NBO/T ≤ 0.4) generally show little change or a moderate decrease in liquid heat capacity with increasing water content.

  1. Temperature calibration of cryoscopic solutions used in the milk industry by adiabatic calorimetry

    NASA Astrophysics Data System (ADS)

    Méndez-Lango, E.; Lira-Cortes, L.; Quiñones-Ibarra, R.

    2013-09-01

    One method to detect extraneous water in milk is through cryoscopy. This method is used to measure the freezing point of milk. For calibration of a cryoscope there are is a set of standardized solution with known freezing points values. These values are related with the solute concentration, based in almost a century old data; it was no found recent results. It was found that reference solution are not certified in temperature: they do not have traceability to the temperature unit or standards. We prepared four solutions and measured them on a cryoscope and on an adiabatic calorimeter. It was found that results obtained with one technique dose not coincide with the other one.

  2. Heat Capacity Mapping Mission

    NASA Technical Reports Server (NTRS)

    Nilsson, C. S.; Andrews, J. C.; Scully-Power, P.; Ball, S.; Speechley, G.; Latham, A. R. (Principal Investigator)

    1980-01-01

    The Tasman Front was delineated by airborne expendable bathythermograph survey; and an Heat Capacity Mapping Mission (HCMM) IR image on the same day shows the same principal features as determined from ground-truth. It is clear that digital enhancement of HCMM images is necessary to map ocean surface temperatures and when done, the Tasman Front and other oceanographic features can be mapped by this method, even through considerable scattered cloud cover.

  3. Reversing and nonreversing heat capacity of poly(lactic acid) in the glass transition region by TMDSC

    SciTech Connect

    Pyda, Marek {nmn}; Wunderlich, Bernhard {nmn}

    2005-11-01

    A study of the glass transition of an amorphous and a semicrystalline poly(lactic acid) (PLA) is performed with adiabatic calorimetry, differential scanning calorimetry (DSC), and temperature-modulated DSC (TMDSC). The reversing, total, and nonreversing apparent heat capacities of samples with different contents of L- and D-lactic acid and with various thermal histories were evaluated. Different modes of TMDSC analyses of amorphous and semicrystalline PLA were compared to the total heat capacity from standard DSC. The enthalpy relaxation and the cold crystallization in the glass transition region are largely irreversible. The melting is largely irreversible, but a 100% reversing fraction is observed at low temperatures from 375 to 420 K, which becomes small inside the major melting peak at about 440 K. From the TMDSC of amorphous PLA, the combined information on endothermic and exothermic enthalpy relaxation and glass transition were deconvoluted into the reversing and nonreversing components. The glass transition temperature from the reversing heat capacity and the enthalpy relaxation peaks from the nonreversing component shift to higher temperature for increasingly annealed PLA. The relaxation times for aging decrease on cooling until the glass transition is reached and then increase. This behavior is linked to cooperativity. All quantitative thermal analyses are based on the heat capacity of the solid and liquid, evaluated earlier with the advanced thermal analysis system (ATHAS).

  4. Heat capacity of paramagnetic nickelocene: Comparison with diamagnetic ferrocene

    NASA Astrophysics Data System (ADS)

    Sorai, Michio; Kaneko, Yuki; Hashiguchi, Takao

    2014-05-01

    Nickelocene [bis(η5-cyclopentadienyl)nickel: Ni(C5H5)2, electron spin S=1, the ground state configuration 3A2g] is paramagnetic and belongs to a typical molecule-based magnet. Heat capacities of nickelocene have been measured at temperatures in the 3-320 K range by adiabatic calorimetry. By comparing with those of diamagnetic ferrocene crystal, a small heat capacity peak centered at around 15 K and a sluggish hump centered at around 135 K were successfully separated. The low-temperature peak at 15 K caused by the spin is well reproduced by the Schottky anomaly due to the uniaxial zero-field splitting of the spin S=1 with the uniaxial zero-field splitting parameter D/k=45 K (k: the Boltzmann constant). The magnetic entropy 9.7 J K-1mol-1 is substantially the same as the contribution from the spin-manifold R ln 3=9.13 J K-1mol-1 (R: the gas constant). The sluggish hump centered at around 135 K arises from rotational disordering of the cyclopentadienyl rings of nickelocene molecule. The enthalpy and entropy gains due to this anomaly are 890 J mol-1 and 6.9 J K-1mol-1, respectively. As the hump spreads over a wide temperature region, separation of the hump from the observed heat capacity curve involves a little bit ambiguity. Therefore, these values should be regarded as being reasonable but tentative. The present entropy gain is comparable with 5.5 J K-1mol-1 for the sharp phase transition at 163.9 K of ferrocene crystal. This fact implies that although the disordering of the rings likewise takes place in both nickelocene and ferrocene, it proceeds gradually in nickelocene and by way of a cooperative phase transition in ferrocene. A reason for this originates in loose molecular packing in nickelocene crystal. Molar heat capacity and the standard molar entropy of nickelocene are larger than those of ferrocene beyond the mass effect over the whole temperature region investigated. This fact provides with definite evidences for the loose molecular packing in nickelocene

  5. Heat Capacity in Proteins

    NASA Astrophysics Data System (ADS)

    Prabhu, Ninad V.; Sharp, Kim A.

    2005-05-01

    Heat capacity (Cp) is one of several major thermodynamic quantities commonly measured in proteins. With more than half a dozen definitions, it is the hardest of these quantities to understand in physical terms, but the richest in insight. There are many ramifications of observed Cp changes: The sign distinguishes apolar from polar solvation. It imparts a temperature (T) dependence to entropy and enthalpy that may change their signs and which of them dominate. Protein unfolding usually has a positive ΔCp, producing a maximum in stability and sometimes cold denaturation. There are two heat capacity contributions, from hydration and protein-protein interactions; which dominates in folding and binding is an open question. Theoretical work to date has dealt mostly with the hydration term and can account, at least semiquantitatively, for the major Cp-related features: the positive and negative Cp of hydration for apolar and polar groups, respectively; the convergence of apolar group hydration entropy at T ≈ 112°C; the decrease in apolar hydration Cp with increasing T; and the T-maximum in protein stability and cold denaturation.

  6. Adiabatic calorimetry test of the reaction kinetics and self-heating model for 18650 Li-ion cells in various states of charge

    NASA Astrophysics Data System (ADS)

    Chen, Wei-Chun; Wang, Yih-Wen; Shu, Chi-Min

    2016-06-01

    Use of adiabatic calorimetry to characterise thermal runaway of Li-ion cells is a crucial technique in battery safety testing. Various states of charge (SoC) of Li-ion cells were investigated to ascertain their thermal runaway features using a Vent Sizing Package 2 (VSP2) adiabatic calorimeter. To evaluate the thermal runaway characteristics, the temperature-pressure-time trajectories of commercial cylindrical cells were tested, and it was found that cells at a SoC of greater than 50% were subject to thermal explosion at elevated temperatures. Calorimetry data from various 18650 Li-ion cells with different SoC were used to calculate the thermal explosion energies and chemical kinetics; furthermore, a novel self-heating model based on a pseudo-zero-order reaction that follows the Arrhenius equation was found to be applicable for studying the exothermic reaction of a charged cell.

  7. Heat capacity, entropy of Ln2(MoO4)3 (Ln = La, Sm, and Gd), and the high-temperature enthalpy of Ln2(MoO4)3 (Ln = Eu, Dy, and Ho)

    NASA Astrophysics Data System (ADS)

    Lazarev, V. M.; Suponitskiy, Y. L.; Liashenko, S. E.

    2016-05-01

    The low-temperature heat capacity of Ln2(MoO4)3 (Ln = La, Sm, and Gd) is investigated by means of adiabatic calorimetry within the range of 60-300 K. The temperature dependences of the heat capacity are found and the values of the standard entropy are calculated, based on extrapolations to 0 K. Characteristic temperatures for molybdates are determined from the results of IR spectroscopic studies. The high-temperature enthalpy of Ln2(MoO4)3 (Ln = Eu, Dy, and Ho) is measured via high-temperature microcalorimetry, and the temperature dependence of heat capacity is calculated in the range of 298-1000 K. Since samarium and gadolinium molybdates are of the same structural type as terbium molybdate, we can estimate the anomaly of the heat capacity in the low-temperature region using the data for terbium molybdate and find the entropy of samarium and gadolinium molybdates.

  8. Heat capacities of kaolinite from 7 to 380 K and of DMSO- intercalated kaolinite from 20 to 310 K. The entropy of kaolinite Al2Si2O5(OH)4

    USGS Publications Warehouse

    Robie, R.A.; Hemingway, B.S.

    1991-01-01

    The heat capacities of kaolinite (7 to 380 K) and of dimethyl sulfoxide (DMSO) intercalated kaolinite (20 to 310 K) were measured by adiabatically shielded calorimetry. The third law entropy of kaolinite, S??298, is 200.9??0.5 J.mol-1.K-1. The "melting point' of the DMSO in the intercalate, 288.0??0.2 K, is 3.7 K lower than that of pure DMSO, 291.67 K. The heat capacity of DMSO in the intercalate above 290 K is approximately 5.2 J.mol-1.K-1 smaller than that of pure liquid DMSO at the same temperature. -Authors

  9. Low-temperature heat capacities of CaAl2SiO6 glass and pyroxene and thermal expansion of CaAl2SiO6 pyroxene.

    USGS Publications Warehouse

    Haselton, H.T.; Hemingway, B.S.; Robie, R.A.

    1984-01-01

    Low-T heat capacities (5-380 K) have been measured by adiabatic calorimetry for synthetic CaAl2SiO6 glass and pyroxene. High-T unit cell parameters were measured for CaAl2SiO6 pyroxene by means of a Nonius Guinier-Lenne powder camera in order to determine the mean coefficient of thermal expansion in the T range 25-1200oC. -J.A.Z.

  10. Heat capacities of synthetic hedenbergite, ferrobustamite and CaFeSi2O6 glass

    USGS Publications Warehouse

    Haselton, H.T.; Robie, R.A.; Hemingway, B.S.

    1987-01-01

    Heat capacities have been measured for synthetic hedenbergite (9-647 K), ferrobustamite (5-746 K) and CaFeSi2O6 glass (6-380 K) by low-temperature adiabatic and differential scanning calorimetry. The heat capacity of each of these structural forms of CaFeSiO6 exhibits anomalous behavior at low temperatures. The X-peak in the hedenbergite heat-capacity curve at 34.5 K is due to antiferromagnetic ordering of the Fe2+ ions. Ferrobustamite has a bump in its heat-capacity curve at temperatures less than 20 K, which could be due to weak cooperative magnetic ordering or to a Schottky anomaly. Surprisingly, a broad peak with a maximum at 68 K is present in the heat-capacity curve of the glass. If this maximum, which occurs at a higher temperature than in hedenbergite is caused by magnetic ordering, it could indicate that the range of distortions of the iron sites in the glass is quite small and that coupling between iron atoms is stronger in the glass than in the edge-shared octahedral chains of hedenbergite. The standard entropy change, So298.15 - So0, is 174.2 ?? 0.3, 180.5 ?? 0.3 and 185.7 ?? 0.4 J/mol??K for hedenbergite, ferrobustamite and CaFeSi2O6 glass, respectively. Ferrobustamite is partially disordered in Ca-Fe distribution at high temperatures, but the dependence of the configuratonal entropy on temperature cannot be evaluated due to a lack of information. At high temperatures (298-1600 K), the heat capacity of hedenbergite may be represented by the equation Cop(J/mol??K) = 3l0.46 + 0.01257T-2039.93T -1 2 - 1.84604?? l06T-2 and the heat capacity of ferrobustamite may be represented by Cop(J/mol??K) = 403.83-0.04444T+ 1.597?? 10-5T2-3757.3T -1 2. ?? 1987.

  11. Heat capacity of molten halides.

    PubMed

    Redkin, Alexander A; Zaikov, Yurii P; Korzun, Iraida V; Reznitskikh, Olga G; Yaroslavtseva, Tatiana V; Kumkov, Sergey I

    2015-01-15

    The heat capacities of molten salts are very important for their practical use. Experimental investigation of this property is challenging because of the high temperatures involved and the corrosive nature of these materials. It is preferable to combine experimental investigations with empirical relationships, which allows for the evaluation of the heat capacity of molten salt mixtures. The isobaric molar heat capacities of all molten alkali and alkaline-earth halides were found to be constant for each group of salts. The value depends on the number of atoms in the salt, and the molar heat capacity per atom is constant for all molten halide salts with the exception of the lithium halides. The molar heat capacities of molten halides do not change when the anions are changed.

  12. Heat capacity of molten halides.

    PubMed

    Redkin, Alexander A; Zaikov, Yurii P; Korzun, Iraida V; Reznitskikh, Olga G; Yaroslavtseva, Tatiana V; Kumkov, Sergey I

    2015-01-15

    The heat capacities of molten salts are very important for their practical use. Experimental investigation of this property is challenging because of the high temperatures involved and the corrosive nature of these materials. It is preferable to combine experimental investigations with empirical relationships, which allows for the evaluation of the heat capacity of molten salt mixtures. The isobaric molar heat capacities of all molten alkali and alkaline-earth halides were found to be constant for each group of salts. The value depends on the number of atoms in the salt, and the molar heat capacity per atom is constant for all molten halide salts with the exception of the lithium halides. The molar heat capacities of molten halides do not change when the anions are changed. PMID:25530462

  13. Quartz: heat capacities from 340 to 1000 K and revised values for the thermodynamic properties.

    USGS Publications Warehouse

    Hemingway, B.S.

    1987-01-01

    New heat-capacity data for quartz have been measured over the T interval 340-1000 K by differential scanning calorimetry. The data were combined with recent heat-content and heat-capacity data to provide a significantly revised set of thermodynamic properties for alpha -quartz and to resolve the problem of disparate heat-content and heat-capacity data for alpha - and beta -quartz.-J.A.Z.

  14. Heat capacity and thermodynamic properties for coesite and jadeite, reexamination of the quartz-coesite equilibrium boundary

    USGS Publications Warehouse

    Hemingway, B.S.; Bohlen, S.R.; Hankins, W.B.; Westrum, E.F.; Kuskov, O.L.

    1998-01-01

    The heat capacities of synthetic coesite and jadeite were measured between about 15 and 850 K by adiabatic and differential scanning calorimetry. The experimental data were smoothed and estimates were made of heat capacities to 1800 K. The following equations represent our estimate of the heat capacities of coesite and jadeite between 298.15 and 1800 K: [see original article for formula]. Tables of thermodynamic values for coesite and jadeite to 1800 K are presented. The entropies of coesite and jadeite are 40.38 ?? 0.12 and 136.5 ?? 0.32 J/(mol.K), respectively, at 298.15 K. The entropy for coesite derived here confirms the value published earlier by Holm et al. (1967). We have derived an equation to describe the quartz-coesite boundary over the temperature range of 600 to 1500 K, P(GPa) = 1.76 + 0.001T(K). Our results are in agreement with the enthalpy of transition reported by Akaogi and Navrotsky (1984) and yield -907.6 ?? 1.4 kJ/mol for the enthalpy of formation of coesite from the elements at 298.15 K and 1 bar, in agreement with the value recommended by CODATA (Khodakovsky et al. 1995). Several sources of uncertainty remain unacceptably high, including: the heat capacities of coesite at temperatures above about 1000 K; the heat capacities and volumetric properties of ?? quartz at higher pressures and at temperatures above 844 K; the pressure corrections for the piston cylinder apparatus used to determine the quartz-coesite equilibrium boundary.

  15. Molar heat capacity and entropy of calcium metal

    USGS Publications Warehouse

    Hemingway, B.S.; Robie, R.A.; Chase, M.W.

    1997-01-01

    The heat capacity of calcium has been measured at 85 mean temperatures between T ??? 8 K and T ??? 369 K using an adiabatically-shielded calorimeter in an intermittent heating mode. At T = 298.15 K, the recommended values for the molar heat capacity, molar entropy, and molar enthalpy increment referred to T = 0 are (25.77 ?? 0.08) J??K-1??mol-1, (42.90 ?? 0.11) J??K-1??mol-1, and (5811 ?? 12) J??mol-1, respectively. The uncertainties are twice the standard deviation of the mean. ?? 1997 Academic Press Limited.

  16. Thermophysical properties of ilvaite CaFe22+Fe3+Si2O7O (OH); heat capacity from 7 to 920 K and thermal expansion between 298 and 856 K

    USGS Publications Warehouse

    Robie, R.A.; Evans, H.T.; Hemingway, B.S.

    1988-01-01

    The heat capacity of ilvaite from Seriphos, Greece was measured by adiabatic shield calorimetry (6.4 to 380.7 K) and by differential scanning calorimetry (340 to 950 K). The thermal expansion of ilvaite was also investigated, by X-ray methods, between 308 and 853 K. At 298.15 K the standard molar heat capacity and entropy for ilvaite are 298.9??0.6 and 292.3??0.6 J/(mol. K) respectively. Between 333 and 343 K ilvaite changes from monoclinic to orthorhombic. The antiferromagnetic transition is shown by a hump in Cp0with a Ne??el temperature of 121.9??0.5 K. A rounded hump in Cp0between 330 and 400 K may possibily arise from the thermally activated electron delocalization (hopping) known to take place in this temperature region. ?? 1988 Springer-Verlag.

  17. An automated flow calorimeter for heat capacity and enthalpy measurements at elevated temperatures and pressures

    SciTech Connect

    Yesavage, V.F.

    1990-08-31

    The need for highly accurate thermal property data for a broad range of new application fluids is well documented. To facilitate expansion of the current thermophysical database, an automated flow calorimeter was developed for the measurement of highly accurate isobaric heat capacities and enthalpies of fluids at elevated temperatures and pressures. The experimental technique utilizes traditional electrical power input, adiabatic flow calorimetry with a precision metering pump that eliminates the need for on-line flow rate monitoring. In addition, a complete automation system, greatly simplifies the operation of the apparatus and increases the rapidity of the measurement process. The range over which the instrument was tested, was 300--600 K and 0--12 Mpa, although the calorimeter should perform up to the original design goals of 700 K and 30 MPa. The new flow calorimeter was evaluated by measuring the mean, isobaric, specific heat capacities of liquid water and n-pentane. These experiments yielded an average deviation from the standard literature data of +0.02% and a total variation of 0.05%. Additional data analysis indicated that the overall measurement uncertainty was conservatively estimated as 0.2% with an anticipated precision of 0.1--0.15% at all operating conditions. 44 refs., 27 figs., 2 tabs.

  18. A completely automated flow, heat-capacity, calorimeter for use at high temperatures and pressures

    SciTech Connect

    Rogers, P.S.Z. ); Sandarusi, J. )

    1990-11-01

    An automated, flow calorimeter has been constructed to measure the isobaric heat capacities of concentrated, aqueous electrolyte solutions using a differential calorimetry technique. The calorimeter is capable of operation to 700 K and 40 MPa with a measurement accuracy of 0.03% relative to the heat capacity of the pure reference fluid (water). A novel design encloses the calorimeter within a double set of separately controlled, copper, adiabatic shields that minimize calorimeter heat losses and precisely control the temperature of the inlet fluids. A multistage preheat train, used to efficiently heat the flowing fluid, includes a counter-current heat exchanger for the inlet and outlet fluid streams in tandem with two calorimeter preheaters. Complete system automation is accomplished with a distributed control scheme using multiple processors, allowing the major control tasks of calorimeter operation and control, data logging and display, and pump control to be performed simultaneously. A sophisticated pumping strategy for the two separate syringe pumps allows continuous fluid delivery. This automation system enables the calorimeter to operate unattended except for the reloading of sample fluids. In addition, automation has allowed the development and implementation of an improved heat loss calibration method that provides calorimeter calibration with absolute accuracy comparable to the overall measurement precision, even for very concentrated solutions.

  19. Free Energy and Heat Capacity

    SciTech Connect

    Kurata, Masaki; Devanathan, Ramaswami

    2015-10-13

    Free energy and heat capacity of actinide elements and compounds are important properties for the evaluation of the safety and reliable performance of nuclear fuel. They are essential inputs for models that describe complex phenomena that govern the behaviour of actinide compounds during nuclear fuel fabrication and irradiation. This chapter introduces various experimental methods to measure free energy and heat capacity to serve as inputs for models and to validate computer simulations. This is followed by a discussion of computer simulation of these properties, and recent simulations of thermophysical properties of nuclear fuel are briefly reviewed.

  20. Heat capacities of liquid metals above 1500 K

    NASA Technical Reports Server (NTRS)

    Margrave, J. L.

    1982-01-01

    Heat capacity data are presented for liquid transition metals for temperatures close to the melting point and for 3000, 4000, and 5000 K. The data have been obtained by summarizing the results of levitation, exploding-wire, and drop-calorimetry measurements reported in the literature and by providing analytical estimates where experimental data are not available. The data given here are useful in assigning heat loads and predicting structure survival during extreme temperature excursions caused by nuclear, laser, or particle irradiations.

  1. The heat-capacity of ilmenite and phase equilibria in the system Fe-T-O

    USGS Publications Warehouse

    Anovitz, Lawrence M.; Treiman, A.H.; Essene, E.J.; Hemingway, B.S.; Westrum, E.F.; Wall, V.J.; Burriel, R.; Bohlen, S.R.

    1985-01-01

    Low temperature adiabatic calorimetry and high temperature differential scanning calorimetry have been used to measure the heat-capacity of ilmenite (FeTiO3) from 5 to 1000 K. These measurements yield S2980 = 108.9 J/(mol ?? K). Calculations from published experimental data on the reduction of ilmenite yield ??2980(I1) = -1153.9 kJ/(mol ?? K). These new data, combined with available experimental and thermodynamic data for other phases, have been used to calculate phase equilibria in the system Fe-Ti-O. Calculations for the subsystem Ti-O show that extremely low values of f{hook}O2 are necessary to stabilize TiO, the mineral hongquiite reported from the Tao district in China. This mineral may not be TiO, and it should be re-examined for substitution of other elements such as N or C. Consideration of solid-solution models for phases in the system Fe-Ti-O allows derivation of a new thermometer/oxybarometer for assemblages of ferropseudobrookite-pseudobrookitess and hematite-ilmenitess. Preliminary application of this new thermometer/oxybarometer to lunar and terrestrial lavas gives reasonable estimates of oxygen fugacities, but generally yields subsolidus temperatures, suggesting re-equilibration of one or more phases during cooling. ?? 1985.

  2. The heat capacity mapping mission

    NASA Technical Reports Server (NTRS)

    Short, N. M.

    1981-01-01

    The first in a series of low cost Atmospheric Explorer Satellites, the Heat Capacity Mapping Mission (HCMM) was designed to evaluate the utility of thermal inertial and other thermal and reflectance data for: (1) discriminating bedrock and unconsolidated regolith types; (2) mapping soil moisture; (3) measuring plant canopy temperatures; (4) examining thermal circulation in large bodies of water; and (5) monitoring urban heat islands. Final reports from the HCMM investigator's program are beginning to define the utility of day/the night thermal data. Under favorable circumstances, some major rock types can be identified, soil moisture in extensive agricultural and alluvial terrains can be detected and at least semiqualitatively assessed; and circulation of currents in large bodies of water can be followed by noting thermal patterns.

  3. The decarbonation and heat capacity of ZnCO3

    USGS Publications Warehouse

    Haselton, H.T.; Goldsmith, J.R.

    1987-01-01

    The decarbonation curve for ZnCO3 has been determined in the pressure range 3-20 kbar by using a combination of cold-seal vessels and piston-cylinder apparatus with NaCl assemblies. Heat capacities for both synthetic and natural ZnCO3 samples were measured by differential scanning calorimetry at temperatures ranging from 340 to 497 K. The results of these experiments indicate that the enthalpy of formation for smithsonite, ??Hf(1,298.15), is approximately -817. kJ/mol. which is about 4 kJ more negative than most tabulated values. ?? 1987.

  4. The Heat Capacity of Ideal Gases

    ERIC Educational Resources Information Center

    Scott, Robert L.

    2006-01-01

    The heat capacity of an ideal gas has been shown to be calculable directly by statistical mechanics if the energies of the quantum states are known. However, unless one makes careful calculations, it is not easy for a student to understand the qualitative results. Why there are maxima (and occasionally minima) in heat capacity-temperature curves…

  5. Thermodynamics of micellization from heat-capacity measurements.

    PubMed

    Šarac, Bojan; Bešter-Rogač, Marija; Lah, Jurij

    2014-06-23

    Differential scanning calorimetry (DSC), the most important technique for studying the thermodynamics of structural transitions of biological macromolecules, is seldom used in quantitative thermodynamic studies of surfactant micellization/demicellization. The reason for this could be ascribed to an insufficient understanding of the temperature dependence of the heat capacity of surfactant solutions (DSC data) in terms of thermodynamics, which leads to problems with the design of experiments and interpretation of the output signals. We address these issues by careful design of DSC experiments performed with solutions of ionic and nonionic surfactants at various surfactant concentrations, and individual and global mass-action model analysis of the obtained DSC data. Our approach leads to reliable thermodynamic parameters of micellization for all types of surfactants, comparable with those obtained by using isothermal titration calorimetry (ITC). In summary, we demonstrate that DSC can be successfully used as an independent method to obtain temperature-dependent thermodynamic parameters for micellization.

  6. Effect of water on the heat capacity of polymerized aluminosilicate glasses and melts

    NASA Astrophysics Data System (ADS)

    Bouhifd, M. Ali; Whittington, Alan; Roux, Jacques; Richet, Pascal

    2006-02-01

    The effect of water on heat capacity has been determined for four series of hydrated synthetic aluminosilicate glasses and supercooled liquids close to albite, phonolite, trachyte, and leucogranite compositions. Heat capacities were measured at atmospheric pressure by differential scanning calorimetry for water contents between 0 and 4.9 wt % from 300 K to about 100 K above the glass transition temperature ( Tg). The partial molar heat capacity of water in polymerized aluminosilicate glasses, which can be considered as independent of composition, is =-122.319+341.631×10-3T+63.4426×105/T2 (J/mol K). In liquids containing at least 1 wt % H 2O, the partial molar heat capacity of water is about 85 J/mol K. From speciation data, the effects of water as hydroxyl groups and as molecular water have tentatively been estimated, with partial molar heat capacities of 153 ± 18 and 41 ± 14 J/mol K, respectively. In all cases, water strongly increases the configurational heat capacity at Tg and exerts a marked depressing effect on Tg, in close agreement with the results of viscosity experiments on the same series of glasses. Consistent with the Adam and Gibbs theory of relaxation processes, the departure of the viscosity of hydrous melts from Arrhenian variations correlates with the magnitude of configurational heat capacities.

  7. High-temperature heat capacity of YFe3(BO3)4

    NASA Astrophysics Data System (ADS)

    Denisov, V. M.; Denisova, L. T.; Gudim, I. A.; Temerov, V. L.; Volkov, N. V.; Patrin, G. S.; Chumilina, L. G.

    2014-02-01

    The molar heat capacity of YFe3(BO3)4 has been measured using differential scanning calorimetry in the temperature range 339-1086 K. It has been found that the dependence C p = f( T) exhibits an extremum at a temperature of 401 K due to the structural transition.

  8. Heat Capacity, Body Temperature, and Hypothermia

    NASA Astrophysics Data System (ADS)

    Kimbrough, Doris R.

    1998-01-01

    Even when air and water are at the same temperature, water will "feel" distinctly colder to us. This difference is due to the much higher heat capacity of water than of air. Offered here is an interesting life science application of water's high heat capacity and its serious implications for the maintenance of body temperature and the prevention of hypothermia in warm-blooded animals.

  9. Heat capacity in weakly correlated liquids

    SciTech Connect

    Khrustalyov, Yu. V.; Vaulina, O. S.; Koss, X. G.

    2012-12-15

    Previously unavailable numerical data related to the heat capacity in two- and three-dimensional liquid Yukawa systems are obtained by means of fluctuation theory. The relations between thermal conductivity and diffusion constants are numerically studied and discussed. New approximation for heat capacity dependence on non-ideality parameter for weakly correlated systems of particles is proposed. Comparison of the obtained results to the existing theoretical and numerical data is discussed.

  10. The heat capacity of titanium disilicide

    NASA Technical Reports Server (NTRS)

    Sylla, W. K.; Stillman, S. E.; Sabella, M. S.; Cotts, E. J.

    1994-01-01

    The heat capacity of TiSi2 has been measured in the temperature range 105-500 K. The heat capacity of TiSi2 varies monotonically between temperatures of 100 and 500 K with a reference value of 22.0 +/- 0.2 J/g atom K at 298.15 K. Based upon our heat capacity data, the standard molar entropy of TiSi2 at 298.15 K estimated to be 22.2 +/- 0.8 J/g atom K. Our data support estimates of the higher temperature heat capacity of TiSi2 based upon previously measured heat capacities of different, but similar, substances. A number of TiSi2 samples were prepared by rapidly quenching (greater than 10(exp 5) K/s) from the melt. The structure and the measured heat capacity of these samples were similar to those of well annealed samples, underscoring the thermal stability of this material.

  11. Heat capacity and thermodynamic properties of HoMnO3 in the range of 364-1046 K

    NASA Astrophysics Data System (ADS)

    Denisova, L. T.; Chumilina, L. G.; Shaikhutdinov, K. A.; Patrin, G. S.; Denisov, V. M.

    2016-03-01

    The temperature dependence of the molar heat capacity of HoMnO3 has been measured by differential scanning calorimetry. The experimental data have been used to calculate the thermodynamic properties of the oxide compound (changes in the enthalpy H°( T)- H°(364 K), entropy S°( T)- S°(364 K), and reduced Gibbs energy Φ°( T)). The data on the heat capacity of HoMnO3 have been generalized in the range of 40-1000 K.

  12. Classical fluids of negative heat capacity

    SciTech Connect

    Landsberg, P.T.; Woodard, R.P.

    1992-06-01

    It is shown that new parameters X can be defined such that the heat capacity C{sub X} {equivalent_to} T({partial_derivative}S/{partial_derivative}T)X is negative, even when the canonical ensemble (i.e. at fixed T = ({partial_derivative}U/{partial_derivative}S) and Y {ne} X) is stable. As examples we treat black body radiation and general gas systems with nonsingular {kappa}{sub T}. For the case of a simple ideal gas we even exhibit an apparatus which enforces a constraint X(p,V) = const. that makes C{sub X} < 0. Since it is possible to invent constraints for which canonically stable systems have negative heat capacity we speculate that it may also be possible to infer the statistical mechanics of canonically unstable systems - for which even the traditional heat capacities are negative - by imposing constraints that stabilize the associated, inoncanonical ensembles.

  13. Classical fluids of negative heat capacity

    SciTech Connect

    Landsberg, P.T. . Faculty of Mathematical Studies); Woodard, R.P. . Dept. of Physics)

    1992-06-01

    It is shown that new parameters X can be defined such that the heat capacity C{sub X} {equivalent to} T({partial derivative}S/{partial derivative}T)X is negative, even when the canonical ensemble (i.e. at fixed T = ({partial derivative}U/{partial derivative}S) and Y {ne} X) is stable. As examples we treat black body radiation and general gas systems with nonsingular {kappa}{sub T}. For the case of a simple ideal gas we even exhibit an apparatus which enforces a constraint X(p,V) = const. that makes C{sub X} < 0. Since it is possible to invent constraints for which canonically stable systems have negative heat capacity we speculate that it may also be possible to infer the statistical mechanics of canonically unstable systems - for which even the traditional heat capacities are negative - by imposing constraints that stabilize the associated, inoncanonical ensembles.

  14. Heat capacity and sound velocities of low dimensional Fermi gases

    NASA Astrophysics Data System (ADS)

    Salas, P.; Solis, M. A.

    2014-03-01

    We report the heat capacity ratio and sound velocities for an interactionless Fermi gas immersed in periodic structures such as penetrable multilayers or multitubes created by one (planes) or two perpendicular (tubes) external Dirac comb potentials. The isobaric specific heat of the fermion gas presents the dimensional crossover previously observed in the isochoric specific heat - from 3D to 2D or to 1D -. The quotient between the two quantities has a prominent bump related to the confinement, and as the temperature increases, it goes towards the monoatomic classical gas value 5/3. We present the isothermal and the adiabatic sound velocities of the fermion gas which show anomalous behavior at temperatures below TF due to the dimensionality of the system, while at higher temperatures again we recover the behavior of a classical Fermi gas. Furthermore, as the temperature goes to zero the sound velocity has a finite value, as expected.

  15. Meteorite heat capacities: Results to date

    NASA Astrophysics Data System (ADS)

    Consolmagno, G.; Macke, R.; Britt, D.

    2014-07-01

    Heat capacity is an essential thermal property for modeling asteroid internal metamorphism or differentiation, and dynamical effects like YORP or Yarkovsky perturbations. We have developed a rapid, inexpensive, and non-destructive method for measuring the heat capacity of meteorites at low temperature [1]. A sample is introduced into a dewar of liquid nitrogen and an electronic scale measures the amount of nitrogen boiled away as the sample is cooled from the room temperature to the liquid nitrogen temperature; given the heat of vaporization of liquid nitrogen, one can then calculate the heat lost from the sample during the cooling process. Note that heat capacity in this temperature range is a strong function of temperature, but this functional relation is essentially the same for all materials; the values we determine are equivalent to the heat capacity of the sample at 175 K. To correct for systematic errors, samples of laboratory-grade quartz are measured along with the meteorite samples. To date, more than 70 samples of more than 50 different meteorites have been measured in this way, including ordinary chondrites [1], irons [2], basaltic achondrites [3], and a limited number of carbonaceous chondrites [1]. In general, one can draw a number of important conclusions from these results. First, the heat capacity of a meteorite is a function of its mineral composition, independent of shock, metamorphism, or other physical state. Second, given this relation, heat capacity can be strongly altered by terrestrial weathering. Third, the measurement of heat capacity in small (less than 1 g) samples as done typically by commercial systems runs a serious risk of giving misleading results for samples that are heterogeneous on scales of tens of grams or more. Finally, we demonstrate that heat capacity is a useful tool for determining and classifying a sample, especially if used in conjunction with other intrinsic variables such as grain density and magnetic susceptibility

  16. Heat Capacity Study of Solution Grown Crystals of Isotactic Polystyrene

    SciTech Connect

    Xu,H.; Cebe, P.

    2005-01-01

    We have performed measurements of the specific heat capacity on isotactic polystyrene (iPS) crystals grown from dilute solution. Solution grown crystal (SGC) samples had larger crystal fractions and greatly reduced rigid amorphous fractions compared to their bulk cold-crystallized counterparts. Heat capacity studies were performed from below the glass transition temperature to above the melting temperature by using quasi-isothermal temperature modulated differential scanning calorimetry (TMDSC) and standard DSC. Two or three endotherms are observed, which represent the melting of crystals. The small rigid amorphous fraction relaxes in a wide temperature range from just above the glass transition temperature to just below the first crystal melting endotherm. As in bulk iPS, 1 multiple reversing melting was found in iPS SGCs, supporting the view that double melting in iPS may be due to dual thermal stability distribution existing along one single lamella.2 The impact of reorganization and annealing on the melt endotherms was also investigated. Annealing occurs as a result of the very slow effective heating rate of the quasi-isothermal measurements compared to standard DSC. The improvement of crystal perfection through annealing causes the reversing melting endotherms to occur at a temperature higher than the endotherms seen in the standard DSC scan.

  17. Heat capacity mapping radiometer for AEM spacecraft

    NASA Technical Reports Server (NTRS)

    Sonnek, G. E.

    1977-01-01

    The operation, maintenance, and integration of the applications explorer mission heat capacity mapping radiometer is illustrated in block diagrams and detail schematics of circuit functions. Data format and logic timing diagrams are included along with radiometric and electronic calibration data. Mechanical and electrical configuration is presented to provide interface details for integration of the HCMR instrument to AEM spacecraft.

  18. Evidence from adiabatic scanning calorimetry for the Halperin-Lubensky-Ma effect at the N-SmA phase transitions in mixtures of 7OCB+heptane with an injected SmA phase.

    PubMed

    Tripathi, C S P; Losada-Pérez, P; Leys, J; Cordoyiannis, G; Glorieux, C; Thoen, J

    2012-07-01

    The high-resolution adiabatic scanning calorimetric technique has been used to investigate the nematic-smectic A transition (N-SmA in binary mixtures of the non-smectogenic liquid crystal heptyloxycyanobiphenyl (7OCB) and heptane, exhibiting a so-called injected smectic A phase. With the exception of a mixture with the lowest heptane mole fraction for which only an upper limit of 0.2 ± 0.2 J kg(-1) for a possible latent heat could be obtained, for all other mixtures finite latent heats were obtained. The mole fraction dependence of the latent heat could be well fitted with a crossover function consistent with a mean-field free energy expression with a non-zero cubic term arising from the Halperin-Lubensky-Ma (HLM) coupling between the SmA order parameter and the orientational director fluctuations. The mole fraction dependence of the heat capacity effective critical exponents is similar to that observed in mixtures of the two liquid crystals octyloxycyanobiphenyl (8OCB) and nonylcyanobiphenyl (9OCB). The thermal behavior observed along the N-SmA phase transition line yields further strong evidence for the HLM coupling effect.

  19. Estimating heat capacity and heat content of rocks

    USGS Publications Warehouse

    Robertson, Eugene C.; Hemingway, Bruch S.

    1995-01-01

    Our measured heat-capacity values for rocks and other measurements of heat capacity or heat content of rocks found in the literature have been compared with estimated rock heat capacities calculated from the summation of heat capacities of both minerals and oxide components. The validity of calculating the heat content or heat capacity of rocks to better than about ± 3% from its mineral or chemical composition is well demonstrated by the data presented here.

  20. Heat capacity and phase equilibria of almandine, Fe 3Al 2Si 3O 12

    NASA Astrophysics Data System (ADS)

    Anovitz, L. M.; Essene, E. J.; Metz, G. W.; Bohlen, S. R.; Westrum, E. F., Jr.; Hemingway, B. S.

    1993-09-01

    The heat capacity of a synthetic almandine, Fe 3Al 2Si 3O 12, was measured from 6 to 350 K using equilibrium, intermittent-heating quasi-adiabatic calorimetry and from 420 to 1000 K using differential scanning calorimetry. These measurements yield Cp298 = 342.80 ± 1.4 J/mol · K and S298o = 342.60 J/mol · K. Mössbauer characterizations show the almandine to contain less than 2 ± 1% of the total iron as Fe 3+. X-ray diffraction studies of this synthetic almandine yield a = 11.521 ± 0.001 Å and V298o = 115.11 +- 0.01 cm 3/mol, somewhat smaller than previously reported. The low-temperature Cp data indicate a lambda transition at 8.7 K related to an antiferromagnetic-paramagnetic transition with TN = 7.5 K. Modeling of the lattice contribution to the total entropy suggests the presence of entropy in excess of that attributable to the effects of lattice vibrations and the magnetic transition. This probably arises from a low-temperature electronic transition (Schottky contribution). Combination of the Cp data with existing thermodynamic and phase equilibrium data on almandine yields ΔGf,298 o = -4938.3 kJ/mol and ΔHf,298 o= - 5261.3 kJ/mol for almandine when calculated from the elements. The equilibrium almandine = hercynite + fayalite + quartz limits the upper T/P for almandine and is metastably located at ca. 570°C at P = 1 bar, with a dP/dT of +17 bars/°C. This agrees well with reversed experiments on almandine stability when they are corrected for magnetite and hercynite solid-solutions. In ‖ O2- T space, almandine oxidizes near QFM by the reactions almandine + O2 = magnetite + sillimanite + quartzandalmandine + 02 = hercynite + magnetite + quartz. With suitable correction for reduced activities of solid phases, these equilibria provide useful oxygen barometers for medium- to high-grade metamorphic rocks.

  1. Heat capacity and phase equilibria of almandine, Fe3Al2Si3O12

    USGS Publications Warehouse

    Anovitz, Lawrence M.; Essene, E.J.; Metz, G.W.; Bohlen, S.R.; Westrum, E.F.; Hemingway, B.S.

    1993-01-01

    The heat capacity of a synthetic almandine, Fe3Al2Si3O12, was measured from 6 to 350 K using equilibrium, intermittent-heating quasi-adiabatic calorimetry and from 420 to 1000 K using differential scanning calorimetry. These measurements yield Cp298 = 342.80 ?? 1.4 J/mol ?? K and S298o = 342.60 J/mol ?? K. Mo??ssbauer characterizations show the almandine to contain less than 2 ?? 1% of the total iron as Fe3+. X-ray diffraction studies of this synthetic almandine yield a = 11.521 ?? 0.001 A?? and V298o = 115.11 +- 0.01 cm3/mol, somewhat smaller than previously reported. The low-temperature Cp data indicate a lambda transition at 8.7 K related to an antiferromagnetic-paramagnetic transition with TN = 7.5 K. Modeling of the lattice contribution to the total entropy suggests the presence of entropy in excess of that attributable to the effects of lattice vibrations and the magnetic transition. This probably arises from a low-temperature electronic transition (Schottky contribution). Combination of the Cp data with existing thermodynamic and phase equilibrium data on almandine yields ??Gf,298o = -4938.3 kJ/mol and ??Hf,298o= -5261.3 kJ/mol for almandine when calculated from the elements. The equilibrium almandine = hercynite + fayalite + quartz limits the upper T P for almandine and is metastably located at ca. 570??C at P = 1 bar, with a dP dT of +17 bars/??C. This agrees well with reversed experiments on almandine stability when they are corrected for magnetite and hercynite solid-solutions. In {norm of matrix}O2-T space, almandine oxidizes near QFM by the reactions almandine + O2 = magnetite + sillimanite + quartz and almandine + 02 = hercynite + magnetite + quartz. With suitable correction for reduced activities of solid phases, these equilibria provide useful oxygen barometers for medium- to high-grade metamorphic rocks. ?? 1993.

  2. A Study of Specific Heat Capacity Functions of Polyvinyl Alcohol- Cassava Starch Blends

    NASA Astrophysics Data System (ADS)

    Sin, Lee Tin; Rahman, W. A. W. A.; Rahmat, A. R.; Morad, N. A.; Salleh, M. S. N.

    2010-03-01

    The specific heat capacity ( C sp) of polyvinyl alcohol (PVOH) blends with cassava starch (CSS) was studied by the differential scanning calorimetry method. Specimens of PVOH-CSS blends: PPV37 (70 mass% CSS) and PPV46 (60 mass% CSS) were prepared by a melt blending method with glycerol added as a plasticizer. The results showed that the specific heat capacity of PPV37 and PPV46 at temperatures from 330 K to 530 K increased from (2.963 to 14.995) J· g-1 · K-1 and (2.517 to 14.727) J · g-1· K-1, respectively. The specific heat capacity of PVOH-CSS depends on the amount of starch. The specific heat capacity of the specimens can be approximated by polynomial equations with a curve fitting regression > 0.992. For instance, the specific heat capacity (in J · g-1 · K-1) of PPV37 can be expressed by C sp = -17.824 + 0.063 T and PPV46 by C sp = -18.047 + 0.061 T, where T is the temperature (in K).

  3. Heat capacity and phase equilibria of almandine, Fe[sub 3]Al[sub 2]Si[sub 3]O[sub 12

    SciTech Connect

    Anovitz, L.M. ); Essene, E.J.; Metz, G.W.; Westrum, E.F. Jr. ); Bohlen, S.R. ); Hemingway, B.S. )

    1993-09-01

    The heat capacity of a synthetic almandine, Fe[sub 3]Al[sub 2]Si[sub 3]O[sub 12], was measured from 6 to 350 K using equilibrium, intermittent-heating quasi-adiabatic calorimetry and from 420 to 1000 K using differential scanning calorimetry. These measurements yield Cp[sub 298] = 342.80 [+-] 1.4 J/mol[center dot]K and S[degrees][sub 298] = 342.60 J/mol[center dot]K. Moessbauer characterizations show the almandine to contain less than 2 [+-] 1% of the total iron as Fe[sup 3+]. X-ray diffraction studies of this synthetic almandine yield a = 11.521 [+-] 0.001 [angstrom] and V[degrees][sub 298] = 115.11 [+-] 0.01 cm[sup 3]/mol, somewhat smaller than previously reported. The low-temperature Cp data indicate a lambda transition at 8.7 K related to an antiferromagnetic-paramagnetic transition with T[sub N] = 7.5 K. Modeling of the lattice contribution to the total entropy suggests the presence of entropy in excess of that attributable to the effects of lattice vibrations and the magnetic transition. This probably arises from a low-temperature electronic transition (Schottky contribution).

  4. Heat capacity and entropy at the temperatures 5 K to 720 K and thermal expansion from the temperatures 298 K to 573 K of synthetic enargite (Cu3AsS4)

    USGS Publications Warehouse

    Seal, R.R.; Robie, R.A.; Hemingway, B.S.; Evans, H.T.

    1996-01-01

    The heat capacity of synthetic Cu3AsS4 (enargite) was measured by quasi-adiabatic calorimetry from the temperatures 5 K to 355 K and by differential scanning calorimetry from T = 339 K to T = 720 K. Heat-capacity anomalies were observed at T = (58.5 ?? 0.5) K (??trsHom = 1.4??R??K; ??trsSom = 0.02??R) and at T = (66.5 ?? 0.5) K (??trsHom = 4.6??R??K; ??trsSom = 0.08??R), where R = 8.31451 J??K-1??mol-1. The causes of the anomalies are unknown. At T = 298.15 K, Cop,m and Som(T) are (190.4 ?? 0.2) J??K-1??mol-1 and (257.6 ?? 0.6) J??K-1??mol-1, respectively. The superambient heat capacities are described from T = 298.15 K to T = 944 K by the least-squares regression equation: Cop,m/(J??K-1??mol-1) = (196.7 ?? 1.2) + (0.0499 ?? 0.0016)??(T/K) -(1918 000 ?? 84 000)??(T/K)-2. The thermal expansion of synthetic enargite was measured from T = 298.15 K to T = 573 K by powder X-ray diffraction. The thermal expansion of the unit-cell volume (Z = 2) is described from T = 298.15 K to T = 573 K by the least-squares equation: V/pm3 = 106??(288.2 ?? 0.2) + 104??(1.49 ?? 0.04)??(T/K). ?? 1996 Academic Press Limited.

  5. A calorimetric investigation of spessartine: Vibrational and magnetic heat capacity

    NASA Astrophysics Data System (ADS)

    Dachs, Edgar; Geiger, Charles A.; Withers, Anthony C.; Essene, Eric J.

    2009-06-01

    The heat capacity ( Cp) of two synthetic spessartine samples (Sps) was measured on 20-30 mg-size samples in the temperature range 2-864 K by relaxation calorimetry (RC) and differential scanning calorimetry (DSC). The polycrystalline spessartine samples were synthesized in two different laboratories at high pressures and temperatures from glass and oxide-mixture starting materials and characterized by X-ray powder diffraction and electron-microprobe analysis. The low-temperature heat capacity data show a prominent lambda transition with a peak at 6.2 K, which is interpreted to be the result of a paramagnetic-antiferromagnetic phase transition. The DSC data around ambient T agree excellently with the RC data and can be represented by the Cp polynomial for T > 250 K: CpSps=610-3060·T-0.5-1.45·107·T-2+1.82·109·T-3. Integration of the low temperature Cp data yields a calorimetric standard entropy for the two different samples of So = 334.6 ± 2.7 J/mol · K and 336.0 ± 2.7 J/mol · K. The preferred standard third-law entropy for spessartine is So = 335.3 ± 3.8 J/mol · K, which is the mean value from the two separate determinations. The lattice (vibrational) heat capacity of spessartine was calculated using the single-parameter phonon dispersion model of Komada and Westrum. The lattice entropy at 298.15 K is Svib298.15=297.7J/mol·K, which represents 89% of the calorimetric entropy. The magnetic heat capacity and entropy of spessartine, Smag, at 298.15 K were also calculated. The Smag of the two samples is 38.7 and 37.4 J/mol · K, which is 87% and 83% of the maximum possible magnetic entropy given by 3Rln6 = 44.7 J/mol · K. Published model-dependent lattice-dynamic calculations of Svib298.15 are analyzed and compared to the experimental data. Using the calorimetrically determined So and the Cp polynomial for spessartine, together with high P- T experimental phase-equilibrium data on Mn 2+-Mg partitioning between garnet and olivine, allows calculation of the

  6. Heat capacity and thermodynamic functions of thulium tellurites in the range of 298.15-673 K

    NASA Astrophysics Data System (ADS)

    Rustembekov, K. T.; Dyusekeeva, A. T.; Bekturganova, A. Zh.; Kasenov, B. K.; Makhatova, N. A.; Fomin, V. N.

    2016-02-01

    The isobaric heat capacity of double thulium tellurites is studied via dynamic calorimetry in the range of 298.15-673 K. It is used as the basis for deriving the equation C p o ˜ f( T) and determining the thermodynamic functions. Dependences C p o ˜ f( T) are found to have second-order phase λ-transitions.

  7. The Solid-State Heat-Capacity Laser

    SciTech Connect

    Rotter, M D; Dane, C B; Gonzales, S A; Merrill, R D; Mitchell, S C; Parks, C W; Yamamoto, R M

    2003-12-08

    Heat-capacity operation of a laser is a novel method by which high average powers can be generated. In this paper, we present the principles behind heat-capacity operation, in addition to describing the results of recent experiments.

  8. Heat Capacity Mapping Mission (HCMM) Notification Efforts

    NASA Technical Reports Server (NTRS)

    1980-01-01

    To encourage wide use of the Heat Capacity Mapping Mission (HCMM) data, especially among the scientific community, special notifications were prepared to inform them about the data's availability, its form, and the procedures for obtaining them. To achieve the widest distribution to the primary audiences of interest, mailings were made to scientists associated with the OSTA Resource Observation Division programs and to scientific and professional societies and journals. Accompanying the notifications to the societies and journals were samples of the HCMM imagery and a description of the image's predominant characteristics. A follow-up survey was completed to determine the effectiveness of the HCMM notifications.

  9. Hybrid Heat Capacity - Moving Slab Laser Concept

    SciTech Connect

    Stappaerts, E A

    2002-04-01

    A hybrid configuration of a heat capacity laser (HCL) and a moving slab laser (MSL) has been studied. Multiple volumes of solid-state laser material are sequentially diode-pumped and their energy extracted. When a volume reaches a maximum temperature after a ''sub-magazine depth'', it is moved out of the pumping region into a cooling region, and a new volume is introduced. The total magazine depth equals the submagazine depth times the number of volumes. The design parameters are chosen to provide high duty factor operation, resulting in effective use of the diode arrays. The concept significantly reduces diode array cost over conventional heat capacity lasers, and it is considered enabling for many potential applications. A conceptual design study of the hybrid configuration has been carried out. Three concepts were evaluated using CAD tools. The concepts are described and their relative merits discussed. Because of reduced disk size and diode cost, the hybrid concept may allow scaling to average powers on the order of 0.5 MW/module.

  10. Thermodynamic properties of illite, smectite and beidellite by calorimetric methods: Enthalpies of formation, heat capacities, entropies and Gibbs free energies of formation

    NASA Astrophysics Data System (ADS)

    Gailhanou, H.; Blanc, P.; Rogez, J.; Mikaelian, G.; Kawaji, H.; Olives, J.; Amouric, M.; Denoyel, R.; Bourrelly, S.; Montouillout, V.; Vieillard, P.; Fialips, C. I.; Michau, N.; Gaucher, E. C.

    2012-07-01

    The thermodynamic properties of three aluminous 2:1 clay minerals were acquired at 1.013 bars and at temperatures between 5 and 500 K using various calorimetric methods. Calorimetric measurements were performed on hydrated and dehydrated <2 μm clay fractions of smectite MX-80 (Wyoming), illite IMt-2 (Silver Hill) and beidellite SBId-1 (Black Jack Mine). After purification, the mineralogical analyses gave the following structural formulae: Na0.409K0.024Ca0.009 (Si3.738Al0.262) (Al1.598Mg0.214Fe 0.173 3 + Fe 0.035 2 +)O10(OH)2,K0.762Na0.044 (Si3.387Al0.613) (Al1.427Mg0.241Fe 0.292 3 + Fe 0.084 2 +)O10(OH)2 and Ca0.185K0.104 (Si3.574Al0.426) (Al1.812Mg0.09Fe 0.112 3 +)O10(OH)2 for smectite MX-80, illite IMt-2 and beidellite SBId-1, respectively. Heat capacities were measured by low temperature adiabatic calorimetry and differential scanning calorimetry, from 5 to 500 K. Standard enthalpies of formation were obtained from solution-reaction calorimetry at 298.15 K. The standard Gibbs free energies of formation of the clay minerals were also calculated, together with the equilibrium constants at 25 °C, for anhydrous and hydrated minerals. A comparison between these experimental data and estimated values obtained from prediction models available in the literature, enabled the calculation method that appears to be the most relevant to be selected, at least for aluminous 2:1 clay minerals.

  11. High-temperature heat capacity of orthovanadates Ce1- x Bi x VO4

    NASA Astrophysics Data System (ADS)

    Denisova, L. T.; Chumilina, L. G.; Belousova, N. V.; Denisov, V. M.

    2016-09-01

    Orthovanadates Ce1- x Bi x VO4 (1 ≥ x ≥ 0) have been produced by solid-phase synthesis from initial oxides CeO2, Bi2O3, and V2O5 upon step-by-step burning. The high-temperature heat capacity of Ce1- x Bi x VO4 has been measured by differential scanning calorimetry. The experimental data on C p = f(T) were used to calculate the thermodynamic properties (the enthalpy changes, the entropy changes, and the Gibbs energy).

  12. Calorimetry of Nucleic Acids.

    PubMed

    Rozners, Eriks; Pilch, Daniel S; Egli, Martin

    2015-12-01

    This unit describes the application of calorimetry to characterize the thermodynamics of nucleic acids, specifically, the two major calorimetric methodologies that are currently employed: differential scanning (DSC) and isothermal titration calorimetry (ITC). DSC is used to study thermally induced order-disorder transitions in nucleic acids. A DSC instrument measures, as a function of temperature (T), the excess heat capacity (C(p)(ex)) of a nucleic acid solution relative to the same amount of buffer solution. From a single curve of C(p)(ex) versus T, one can derive the following information: the transition enthalpy (ΔH), entropy (ΔS), free energy (ΔG), and heat capacity (ΔCp); the state of the transition (two-state versus multistate); and the average size of the molecule that melts as a single thermodynamic entity (e.g., the duplex). ITC is used to study the hybridization of nucleic acid molecules at constant temperature. In an ITC experiment, small aliquots of a titrant nucleic acid solution (strand 1) are added to an analyte nucleic acid solution (strand 2), and the released heat is monitored. ITC yields the stoichiometry of the association reaction (n), the enthalpy of association (ΔH), the equilibrium association constant (K), and thus the free energy of association (ΔG). Once ΔH and ΔG are known, ΔS can also be derived. Repetition of the ITC experiment at a number of different temperatures yields the ΔCp for the association reaction from the temperature dependence of ΔH.

  13. Electron heat capacity and lattice properties of Americium

    NASA Astrophysics Data System (ADS)

    Povzner, A. A.; Filanovich, A. N.; Os'kina, V. A.; Volkov, A. G.

    2013-12-01

    The temperature dependence of the electron heat capacity of americium is calculated using the concepts on the electronic structure and magnetic properties of this element. The Debye temperature, the thermal expansion coefficient, and the bulk modulus of americium are determined on the basis of the results of calculations and experimental data on heat capacity.

  14. Effect of hydrolysis on heat capacity, thermodynamic functions, and the relaxation transition of crab chitin and chitosan

    NASA Astrophysics Data System (ADS)

    Kashtanov, E. A.; Uryash, V. F.; Kokurina, N. Yu.; Larina, V. N.

    2014-02-01

    The heat capacity of crab chitin and chitosan is measured in a vacuum adiabatic calorimeter at 10-330 K. The thermodynamic characteristics (enthalpy, entropy, and Gibbs function) are calculated at T → 0 K to 330 K. Differential thermal analysis is used to calculate the relaxation transitions and thermal degradation of chitin and chitosan at 80-600 K. Acid hydrolysis is performed and its effect on the physicochemical properties and thermodynamic functions of chitin and chitosan is studied.

  15. The heat capacity of a natural monticellite and phase equilibria in the system CaO-MgO-SiO2-CO2

    USGS Publications Warehouse

    Sharp, Z.D.; Essene, E.J.; Anovitz, Lawrence M.; Metz, G.W.; Westrum, E.F.; Hemingway, B.S.; Valley, J.W.

    1986-01-01

    The heat capacity of a natural monticellite (Ca1.00Mg.09Fe.91Mn.01Si0.99O3.99) measured between 9.6 and 343 K using intermittent-heating, adiabatic calorimetry yields Cp0(298) and S2980 of 123.64 ?? 0.18 and 109.44 ?? 0.16 J ?? mol-1 K-1 respectively. Extrapolation of this entropy value to end-member monticellite results in an S0298 = 108.1 ?? 0.2 J ?? mol-1 K-1. High-temperature heat-capacity data were measured between 340-1000 K with a differential scanning calorimeter. The high-temperature data were combined with the 290-350 K adiabatic values, extrapolated to 1700 K, and integrated to yield the following entropy equation for end-member monticellite (298-1700 K): ST0(J ?? mol-1 K-1) = S2980 + 164.79 In T + 15.337 ?? 10-3 T + 22.791 ?? 105 T-2 - 968.94. Phase equilibria in the CaO-MgO-SiO2 system were calculated from 973 to 1673 K and 0 to 12 kbar with these new data combined with existing data for akermanite (Ak), diopside (Di), forsterite (Fo), merwinite (Me) and wollastonite (Wo). The location of the calculated reactions involving the phases Mo and Fo is affected by their mutual solid solution. A best fit of the thermodynamically generated curves to all experiments is made when the S0298 of Me is 250.2 J ?? mol-1 K-1 less than the measured value of 253.2 J ?? mol-1 K-1. A best fit to the reversals for the solid-solid and decarbonation reactions in the CaO-MgO-SiO2-CO2 system was obtained with the ??G0298 (kJ ?? mole-1) for the phases Ak(-3667), Di(-3025), Fo(-2051), Me(-4317) and Mo(-2133). The two invariant points - Wo and -Fo for the solid-solid reactions are located at 1008 ?? 5 K and 6.3 ?? 0.1 kbar, and 1361 ?? 10 K and 10.2 ?? 0.2 kbar respectively. The location of the thermodynamically generated curves is in excellent agreement with most experimental data on decarbonation equilibria involving these phases. ?? 1986.

  16. How to measure heat capacity of metals at 10s to 100s of GPa

    NASA Astrophysics Data System (ADS)

    Geballe, Z. M.; Townley, A.; Jeanloz, R.

    2014-12-01

    Adapting methods of calorimetry to the diamond-anvil cell can provide important new information for understanding planetary interiors. Here we show that heat capacity of metals can be measured to the 10-100 GPa range by using AC electrical heating inside diamond anvil cells. Frequencies of f ≈ 1-100 MHz must be used to contain the heat within the sample of interest, as evidenced by numerical and physical models of heat flow: f > DinsCins2/(Csamdsam)2, where Dins is the thermal diffusivity of the insulation, Cins and Csam are specific heat capacities of insulation and metal sample, and dsam is sample thickness. Heat must be deposited uniformly (e.g. skin depth > sample thickness) for the most accurate and unambiguous measurements, thereby allowing measurement of the energetics of pre-melting, melting and partial melting of metals, including iron and its alloys. In principle, high-pressure calorimetry can be used to independently determine melting at high pressures, and also to quantify latent heats of fusion, thereby revealing the density of liquid metals at Earth core conditions.

  17. Heat capacity of water: A signature of nuclear quantum effects

    NASA Astrophysics Data System (ADS)

    Vega, C.; Conde, M. M.; McBride, C.; Abascal, J. L. F.; Noya, E. G.; Ramirez, R.; Sesé, L. M.

    2010-01-01

    In this note we present results for the heat capacity at constant pressure for the TIP4PQ/2005 model, as obtained from path-integral simulations. The model does a rather good job of describing both the heat capacity of ice Ih and of liquid water. Classical simulations using the TIP4P/2005, TIP3P, TIP4P, TIP4P-Ew, simple point charge/extended, and TIP5P models are unable to reproduce the heat capacity of water. Given that classical simulations do not satisfy the third law of thermodynamics, one would expect such a failure at low temperatures. However, it seems that for water, nuclear quantum effects influence the heat capacities all the way up to room temperature. The failure of classical simulations to reproduce Cp points to the necessity of incorporating nuclear quantum effects to describe this property accurately.

  18. The Heat Capacity of Metals: A Physical Chemistry Experiment.

    ERIC Educational Resources Information Center

    Shigeishi, R. A.

    1979-01-01

    Presented here are improvements in the original design of an introductory statistical thermodynamics experiment with the result that heat capacities of metals are routinely obtained within ten percent of literature values. (BB)

  19. Heat Capacity of Solids--by Courtesy of the Computer.

    ERIC Educational Resources Information Center

    Bligh, P. H.; And Others

    1987-01-01

    Describes a heat capacity experiment designed to provide an interactive environment between the student, the experiment, and the computer. Discusses computer software that has been developed so that the entire interaction can be coordinated from the computer keyboard. (TW)

  20. Heat capacity and absolute entropy of iron phosphides

    SciTech Connect

    Dobrokhotova, Z.V.; Zaitsev, A.I.; Litvina, A.D.

    1994-09-01

    There is little or no data on the thermodynamic properties of iron phosphides despite their importance for several areas of science and technology. The information available is of a qualitative character and is based on assessments of the heat capacity and absolute entropy. In the present work, we measured the heat capacity over the temperature range of 113-873 K using a differential scanning calorimeter (DSC) and calculated the absolute entropy.

  1. The heat capacity of water near solid surfaces

    NASA Astrophysics Data System (ADS)

    Vučelić, V.; Vučelić, D.

    1983-11-01

    Anomalous heat capacities of water at solid/water interfaces have been obtained. The solids vary from inorganic (zeolites, porous class, silica gel, activated carbon) to biological (protein lysozyme and adrenal gland). Water heat capacities at all interfaces exhibit the same pattern. At room temperature the small values are close to ice and increase with temperature, reaching the value of free water between 380 and 440 K.

  2. Heat capacity, electrical and thermal conductivity of silicene

    NASA Astrophysics Data System (ADS)

    Feyzi, Azra; Chegel, Raad

    2016-09-01

    We investigate the electronic heat capacity, electrical and thermal conductivity of monolayer planar and buckled silicon sheets (silicene) through tight binding approximation and Kubo-Greenwood formula. Applying and increasing dopant atoms to the system leads to opening a gap in the band structures and density of states that causes to decrease (increase) the heat capacity before (after) the Schottky anomaly. The electrical and electronic thermal conductivity of doped silicene reduces with increasing impurity strength.

  3. Differential scanning calorimetry (DSC) of semicrystalline polymers.

    PubMed

    Schick, C

    2009-11-01

    Differential scanning calorimetry (DSC) is an effective analytical tool to characterize the physical properties of a polymer. DSC enables determination of melting, crystallization, and mesomorphic transition temperatures, and the corresponding enthalpy and entropy changes, and characterization of glass transition and other effects that show either changes in heat capacity or a latent heat. Calorimetry takes a special place among other methods. In addition to its simplicity and universality, the energy characteristics (heat capacity C(P) and its integral over temperature T--enthalpy H), measured via calorimetry, have a clear physical meaning even though sometimes interpretation may be difficult. With introduction of differential scanning calorimeters (DSC) in the early 1960s calorimetry became a standard tool in polymer science. The advantage of DSC compared with other calorimetric techniques lies in the broad dynamic range regarding heating and cooling rates, including isothermal and temperature-modulated operation. Today 12 orders of magnitude in scanning rate can be covered by combining different types of DSCs. Rates as low as 1 microK s(-1) are possible and at the other extreme heating and cooling at 1 MK s(-1) and higher is possible. The broad dynamic range is especially of interest for semicrystalline polymers because they are commonly far from equilibrium and phase transitions are strongly time (rate) dependent. Nevertheless, there are still several unsolved problems regarding calorimetry of polymers. I try to address a few of these, for example determination of baseline heat capacity, which is related to the problem of crystallinity determination by DSC, or the occurrence of multiple melting peaks. Possible solutions by using advanced calorimetric techniques, for example fast scanning and high frequency AC (temperature-modulated) calorimetry are discussed.

  4. Testing of a scanning adiabatic calorimeter with Joule effect heating of the sample

    NASA Astrophysics Data System (ADS)

    Barreiro-Rodríguez, G.; Yáñez-Limón, J. M.; Contreras-Servin, C. A.; Herrera-Gomez, A.

    2008-01-01

    We evaluated a scanning adiabatic resistive calorimeter (SARC) developed to measure the specific enthalpy of viscous and gel-type materials. The sample is heated employing the Joule effect. The cell is constituted by a cylindrical jacket and two pistons, and the sample is contained inside the jacket between the two pistons. The upper piston can slide to allow for thermal expansion and to keep the pressure constant. The pistons also function as electrodes for the sample. While the sample is heated through the Joule effect, the electrodes and the jacket are independently heated to the same temperature of the sample using automatic control. This minimizes the heat transport between the sample and its surroundings. The energy to the sample is supplied by applying to the electrodes an ac voltage in the kilohertz range, establishing a current in the sample and inducing electric dissipation. This energy can be measured with enough exactitude to determine the heat capacity. This apparatus also allows for the quantification of the thermal conductivity by reproducing the evolution of the temperature as heat is introduced only to one of the pistons. To this end, the system was modeled using finite element calculations. This dual capability proved to be very valuable for correction in the determination of the specific enthalpy. The performance of the SARC was evaluated by comparing the heat capacity results to those obtained by differential scanning calorimetry measurements using a commercial apparatus. The analyzed samples were zeolite, bauxite, hematite, bentonite, rice flour, corn flour, and potato starch.

  5. 'Heat from Above' Heat Capacity Measurements in Liquid He-4

    NASA Technical Reports Server (NTRS)

    Lee, R. A. M.; Chatto, A.; Sergatskov, D. A.; Babkin, A. V.; Boyd, S. T. P.; Churilov, A. M.; McCarson, T. D.; Chui, T. C. P.; Day, P. K.; Dunca, R. V.

    2003-01-01

    We have made heat capacity measurements of superfluid He-4 at temperatures very close to the lambda point, T(sub lambda) , in a constant heat flux, Q, when the helium sample is heated from above. In this configuration the helium enters a self-organized (SOC) heat transport state at a temperature T(sub SOC)(Q), which for Q greater than or = 100 nW/sq cm lies below T(sub lambda). At low Q we observe little or no deviation from the bulk Q = 0 heat capacity up to T(sub SOC)(Q); beyond this temperature the heat capacity appears to be sharply depressed, deviating dramatically from its bulk behaviour. This marks the formation and propagation of a SOC/superfluid two phase state, which we confirm with a simple model. The excellent agreement between data and model serves as an independent confirmation of the existence of the SOC state. As Q is increased (up to 6 micron W/sq cm) we observe a Q dependant depression in the heat capacity that occurs just below T(sub SOC)(Q), when the entire sample is still superfluid. This is due to the emergence of a large thermal resistance in the sample, which we have measured and used to model the observed heat capacity depression. Our measurements of the superfluid thermal resistivity are a factor of ten larger than previous measurements by Baddar et al.

  6. Heat capacity anomaly in a self-aggregating system: Triblock copolymer 17R4 in water

    NASA Astrophysics Data System (ADS)

    Dumancas, Lorenzo V.; Simpson, David E.; Jacobs, D. T.

    2015-05-01

    The reverse Pluronic, triblock copolymer 17R4 is formed from poly(propylene oxide) (PPO) and poly(ethylene oxide) (PEO): PPO14 - PEO24 - PPO14, where the number of monomers in each block is denoted by the subscripts. In water, 17R4 has a micellization line marking the transition from a unimer network to self-aggregated spherical micelles which is quite near a cloud point curve above which the system separates into copolymer-rich and copolymer-poor liquid phases. The phase separation has an Ising-like, lower consolute critical point with a well-determined critical temperature and composition. We have measured the heat capacity as a function of temperature using an adiabatic calorimeter for three compositions: (1) the critical composition where the anomaly at the critical point is analyzed, (2) a composition much less than the critical composition with a much smaller spike when the cloud point curve is crossed, and (3) a composition near where the micellization line intersects the cloud point curve that only shows micellization. For the critical composition, the heat capacity anomaly very near the critical point is observed for the first time in a Pluronic/water system and is described well as a second-order phase transition resulting from the copolymer-water interaction. For all compositions, the onset of micellization is clear, but the formation of micelles occurs over a broad range of temperatures and never becomes complete because micelles form differently in each phase above the cloud point curve. The integrated heat capacity gives an enthalpy that is smaller than the standard state enthalpy of micellization given by a van't Hoff plot, a typical result for Pluronic systems.

  7. Heat Capacity Anomaly Near the Lower Critical Consolute Point of Triethylamine-Water

    NASA Technical Reports Server (NTRS)

    Flewelling, Anne C.; DeFonseka, Rohan J.; Khaleeli, Nikfar; Partee, J.; Jacobs, D. T.

    1996-01-01

    The heat capacity of the binary liquid mixture triethylamine-water has been measured near its lower critical consolute point using a scanning, adiabatic calorimeter. Two data runs are analyzed to provide heat capacity and enthalpy data that are fitted by equations with background terms and a critical term that includes correction to scaling. The critical exponent a was determined to be 0.107 +/- 0.006, consistent with theoretical predictions. When alpha was fixed at 0.11 to determine various amplitudes consistently, our values of A(+) and A(-) agreed with a previous heat capacity measurement, but the value of A(-) was inconsistent with values determined by density or refractive index measurements. While our value for the amplitude ratio A(+)/ A(-) = 0.56 +/- 0.02 was consistent with other recent experimental determinations in binary liquid mixtures, it was slightly larger than either theoretical predictions or recent experimental values in liquid-vapor systems. The correction to scaling amplitude ratio D(+)/D(-) = 0.5 +/- 0.1 was half of that predicted. As a result of several more precise theoretical calculations and experimental determinations, the two-scale-factor universality ratio X, which we found to be 0.019 +/- 0.003, now is consistent among experiments and theories. A new 'universal' amplitude ratio R(sup +/-)(sub Bcr) involving the amplitudes for the specific heat was tested. Our determination of R(sup +/-)(sub Bcr) = -0.5 +/- 0.1 and R(sup -)(sub Bcr) = 1.1 +/- 0.1 is smaller in magnitude than predicted and is the first such determination in a binary fluid mixture.

  8. Heat Capacity of Dilute 3He-4He Monolayer Films

    NASA Astrophysics Data System (ADS)

    Morishita, Masashi

    2016-05-01

    The heat capacities of a small amount of 3He dissolved in monolayer 4He films are measured to clarify natures of monolayer 4He films. With increasing areal density, the measured heat capacities gradually increase and subsequently gradually decrease. With further increase in areal density, the measured heat capacity rapidly decreases to zero over a very narrow areal density range near that of the sqrt{3} × sqrt{3} phase. These slightly complex areal-density variations and dependence on 3He concentration are discussed from the viewpoint of the known properties of 4He films. The behaviors can be explained. However, the expected two-dimensional gas-liquid or gas-solid coexistence is not observed in this study.

  9. Study of magnetic entropy and heat capacity in ferrimagnetic Fe3Se4 nanorods

    NASA Astrophysics Data System (ADS)

    Bishwas, Mousumi Sen; Poddar, Pankaj

    2016-05-01

    Change in the magnetic entropy and specific heat capacity in Fe3Se4 nanorods synthesized by a wet-chemical method in a broad temperature (215-340 K) and magnetic field range (0-60 k Oe) was studied. The isothermal magnetic entropy change (ΔS M ) is estimated by an indirect method from the isothermal magnetization curves measured in this temperature range. SM\\max of  -46  ×  10-2 J kg-1 · K-1 was obtained at ~317 K when the field was changed from 0 to 60 kOe. The maximum in the isothermal magnetic entropy change (ΔS M ) is observed in close proximity to T C (~323 K), which is linked to the order-disorder transition. The nature of this transition was analyzed by universal curve behavior. The temperature and magnetic field dependence of specific heat capacity was studied and analyzed to estimate the adiabatic temperature change (ΔT ad). The magnetic entropy change of Fe3Se4 nanoparticles is found to be comparable with similar ferrite and manganite nanoparticle systems and a broad operating temperature window of ~30 K was observed around room temperature.

  10. On the heat capacity of Ce{sub 3}Al

    SciTech Connect

    Singh, Durgesh Samatham, S. Shanmukharao Venkateshwarlu, D. Gangrade, Mohan Ganesan, V.

    2014-04-24

    Electrical resistivity and heat capacity measurements on Cerium based dense Kondo compound Ce{sub 3}Al have been reported. Clear signatures of first order structural transition at 108K, followed by a Kondo minimum and coherence are clearly seen in resistivity. The structural transition is robust and is not affected by magnetic fields. Heat capacity measurements reveal an anomalous enhancement in the heavy fermion character upon magnetic fields. Vollhardt invariance in specific heat C(T.H) curves have been observed at T=3.7K and at H ≈ 6T.

  11. Heat capacity measurements for cryolite (Na3AlF6) and reactions in the system NaFeAlSiOF

    USGS Publications Warehouse

    Anovitz, Lawrence M.; Hemingway, B.S.; Westrum, E.F.; Metz, G.W.; Essene, E.J.

    1987-01-01

    The heat capacity of cryolite (Na3AlF6) has been measured from 7 to 1000 K by low-temperature adiabatic and high-temperature differential scanning calorimetry. Low-temperature data were obtained on material from the same hand specimen in the calorimetric laboratories of the University of Michigan and U.S. Geological Survey. The results obtained are in good agreement, and yield average values for the entropy of cryolite of: S0298 = 238.5 J/mol KS0T-S0298 = 145.114 ln T+ 193.009*10-3T- 10.366* 105 T2- 872.89 J/mol K (273-836.5 K)??STrans = 9.9J/mol KS0T-S0298 =198.414 ln T+73.203* 10-3T-63.814* 105 T2-1113.11 J/mol K (836.5-1153 K) with the transition temperature between ??- and ??-cryolite taken at 836.5 K. These data have been combined with data in the literature to calculate phase equilibria for the system NaFeAlSiOF. The resultant phase diagrams allow constraints to be placed on the fO2, fF2, aSiO2 and T conditions of formation for assemblages in alkalic rocks. A sample application suggests that log fO2 is approximately -19.2, log fF2 is -31.9 to -33.2, and aSiO2 is -1.06 at assumed P T conditions of 1000 K, 1 bar for the villiaumite-bearing Ilimaussaq intrusion in southwestern Greenland. ?? 1987.

  12. Heat capacity of square-well fluids of variable width

    NASA Astrophysics Data System (ADS)

    Largo, J.; Solana, J. R.; Acedo, L.; Santos, A.

    We have obtained by Monte Carlo NVT simulations the constant-volume excess heat capacity of square-well fluids for several temperatures, densities and potential widths. Heat capacity is a thermodynamic property much more sensitive to the accuracy of a theory than other thermodynamic quantities, such as the compressibility factor. This is illustrated by comparing the reported simulation data for the heat capacity with the theoretical predictions given by the Barker-Henderson perturbation theory as well as with those given by a non-perturbative theoretical model based on Baxter's solution of the Percus-Yevick integral equation for sticky hard spheres. Both theories give accurate predictions for the equation of state. By contrast, it is found that the Barker-Henderson theory strongly underestimates the excess heat capacity for low to moderate temperatures, whereas a much better agreement between theory and simulation is achieved with the non-perturbative theoretical model, particularly for small well widths, although the accuracy of the latter worsens for high densities and low temperatures, as the well width increases.

  13. Heat capacities of lanthanide and actinide monazite-type ceramics

    NASA Astrophysics Data System (ADS)

    Kowalski, Piotr M.; Beridze, George; Vinograd, Victor L.; Bosbach, Dirk

    2015-09-01

    (Ln, An)xPO4 monazite-type ceramics are considered as potential matrices for the disposal of nuclear waste. In this study we computed the heat capacities and the standard entropies of these compounds using density functional perturbation theory. The calculations of lanthanide monazites agree well with the existing experimental data and provide information on the variation of the standard heat capacities and entropies along the lanthanide series. The results for AnPO4 monazites are similar to those obtained for the isoelectronic lanthanide compounds. This suggests that the missing thermodynamic data on actinide monazites could be similarly computed or assessed based on the properties of their lanthanide analogs. However, the computed heat capacity of PuPO4 appear to be significantly lower than the measured data. We argue that this discrepancy might indicate potential problems with the existing experimental data or with their interpretation. This shows a need for further experimental studies of the heat capacities of actinide-bearing, monazite-type ceramics.

  14. Improved Method for Determining the Heat Capacity of Metals

    ERIC Educational Resources Information Center

    Barth, Roger; Moran, Michael J.

    2014-01-01

    An improved procedure for laboratory determination of the heat capacities of metals is described. The temperature of cold water is continuously recorded with a computer-interfaced temperature probe and the room temperature metal is added. The method is more accurate and faster than previous methods. It allows students to get accurate measurements…

  15. A new angle on heat capacity changes in hydrophobic solvation.

    PubMed

    Gallagher, Kelly R; Sharp, Kim A

    2003-08-13

    The differential solubility of polar and apolar groups in water is important for the self-assembly of globular proteins, lipid membranes, nucleic acids, and other specific biological structures through hydrophobic and hydrophilic effects. The increase in water's heat capacity upon hydration of apolar compounds is one signature of the hydrophobic effect and differentiates it from the hydration of polar compounds, which cause a decrease in heat capacity. Water structuring around apolar and polar groups is an important factor in their differential solubility and heat capacity effects. Here, it is shown that joint radial/angular distribution functions of water obtained from simulations reveal quite different hydration structures around polar and apolar groups: polar and apolar groups have a deficit or excess, respectively, of "low angle hydrogen bonds". Low angle hydrogen bonds have a larger energy fluctuation than high angle bonds, and analysis of these differences provides a physical reason for the opposite changes in heat capacity and new insight into water structure around solutes and the hydrophobic effect.

  16. Quantum Calorimetry

    NASA Technical Reports Server (NTRS)

    Stahle, Caroline Kilbourne; McCammon, Dan; Irwin, Kent D.

    1999-01-01

    Your opponent's serve was almost perfect, but you vigorously returned it beyond his outstretched racquet to win the point. Now the tennis ball sits wedged in the chain-link fence around the court. What happened to the ball's kinetic energy? It has gone to heat the fence, of course, and you realize that if the fence were quite colder, you might be able to measure that heat and determine just how energetic your swing really was. Calorimetry has been a standard measurement technique since James Joule and Julius von Mayer independently concluded, about 150 years ago, that heat is a form of energy. But only in the past 15 years or so has calorimetry been applied, at millikelvin temperatures, to the measurement of the energy of individual photons and particles with exquisite sensitivity. In this article, we have tried to show that continuing research in low-temperature physics leads to a greater understanding of high-temperature astrophysics. Adaptations of the resulting spectrometers will be useful tool for fields of research beyond astrophysics.

  17. High-temperature heat capacity of stannates Pr2Sn2O7 and Nd2Sn2O7

    NASA Astrophysics Data System (ADS)

    Denisova, L. T.; Irtyugo, L. A.; Beletskii, V. V.; Denisov, V. M.

    2016-07-01

    Oxide compounds Pr2Sn2O7 and Nd2Sn2O7 have been obtained by solid-phase synthesis. The effect of temperature on the heat capacity of Pr2Sn2O7 (360-1045 K) and Nd2Sn2O7 (360-1030 K) has been studied using differential scanning calorimetry. The thermodynamic properties of the compounds (changes in enthalpy, entropy, and the reduced Gibbs energy) have been calculated by the experimental data of C p = f( T).

  18. Isothermal titration calorimetry of RNA.

    PubMed

    Salim, Nilshad N; Feig, Andrew L

    2009-03-01

    Isothermal titration calorimetry (ITC) is a fast and robust method to study the physical basis of molecular interactions. A single well-designed experiment can provide complete thermodynamic characterization of a binding reaction, including K(a), DeltaG, DeltaH, DeltaS and reaction stoichiometry (n). Repeating the experiment at different temperatures allows determination of the heat capacity change (DeltaC(P)) of the interaction. Modern calorimeters are sensitive enough to probe even weak biological interactions making ITC a very popular method among biochemists. Although ITC has been applied to protein studies for many years, it is becoming widely applicable in RNA biochemistry as well, especially in studies which involve RNA folding and RNA interactions with small molecules, proteins and with other RNAs. This review focuses on best practices for planning, designing and executing effective ITC experiments when one or more of the reactants is an RNA. PMID:18835447

  19. GENERAL: Low-temperature heat capacities and standard molar enthalpy of formation of N-methylnorephedrine C11H17NO(s)

    NASA Astrophysics Data System (ADS)

    Di, You-Ying; Wang, Da-Qi; Shi, Quan; Tan, Zhi-Cheng

    2008-08-01

    This paper reports that low-temperature heat capacities of N-methylnorephedrine C11H17NO(s) have been measured by a precision automated adiabatic calorimeter over the temperature range from T = 78 K to T = 400K. A solid to liquid phase transition of the compound was found in the heat capacity curve in the temperature range of T = 342-364 K. The peak temperature, molar enthalpy and entropy of fusion of the substance were determined. The experimental values of the molar heat capacities in the temperature regions of T = 78-342 K and T = 364-400 K were fitted to two polynomial equations of heat capacities with the reduced temperatures by least squares method. The smoothed molar heat capacities and thermodynamic functions of N-methylnorephedrine C11H17NO(s) relative to the standard reference temperature 298.15 K were calculated based on the fitted polynomials and tabulated with an interval of 5 K. The constant-volume energy of combustion of the compound at T = 298.15K was measured by means of an isoperibol precision oxygen-bomb combustion calorimeter. The standard molar enthalpy of combustion of the sample was calculated. The standard molar enthalpy of formation of the compound was determined from the combustion enthalpy and other auxiliary thermodynamic data through a Hess thermochemical cycle.

  20. Specific heat capacity of freshly excised prostate specimens.

    PubMed

    Patch, S K; Rao, N; Kelly, H; Jacobsohn, K; See, W A

    2011-11-01

    The specific heat capacity of tissue is a critical parameter for thermal therapies that act over a long period of time. It is also critical for thermoacoustic signal generation. We present ex vivo measurements of specific heat capacity performed by a dual-pin probe with tight temperature control of the specimen. One 30 mm × 1.28 mm probe heats steadily for 30 s, while another measurement probe measures temperatures 6 mm away from the center of the heater probe. Specific heat values ranging from 2.9 to 4 J cm(-3) °C(-1) were measured on 20 lobes from ten fresh prostate specimens with varying degrees of cancerous involvement as confirmed by histology.

  1. Angle-resolved heat capacity of heavy fermion superconductors.

    PubMed

    Sakakibara, Toshiro; Kittaka, Shunichiro; Machida, Kazushige

    2016-09-01

    Owing to a strong Coulomb repulsion, heavy electron superconductors mostly have anisotropic gap functions which have nodes for certain directions in the momentum space. Since the nodal structure is closely related to the pairing mechanism, its experimental determination is of primary importance. This article discusses the experimental methods of the gap determination by bulk heat capacity measurements in a rotating magnetic field. The basic idea is based on the fact that the quasiparticle density of states in the vortex state of nodal superconductors is field and direction dependent. We present our recent experimental results of the field-orientation dependence of the heat capacity in heavy fermion superconductors CeTIn5 (T  =  Co, Ir), UPt3, CeCu2Si2, and UBe13 and discuss their gap structures. PMID:27482621

  2. Angle-resolved heat capacity of heavy fermion superconductors

    NASA Astrophysics Data System (ADS)

    Sakakibara, Toshiro; Kittaka, Shunichiro; Machida, Kazushige

    2016-09-01

    Owing to a strong Coulomb repulsion, heavy electron superconductors mostly have anisotropic gap functions which have nodes for certain directions in the momentum space. Since the nodal structure is closely related to the pairing mechanism, its experimental determination is of primary importance. This article discusses the experimental methods of the gap determination by bulk heat capacity measurements in a rotating magnetic field. The basic idea is based on the fact that the quasiparticle density of states in the vortex state of nodal superconductors is field and direction dependent. We present our recent experimental results of the field-orientation dependence of the heat capacity in heavy fermion superconductors CeTIn5 (T  =  Co, Ir), UPt3, CeCu2Si2, and UBe13 and discuss their gap structures.

  3. Poly(3-methylpyrrole): Vibrational dynamics, phonon dispersion and heat capacity

    NASA Astrophysics Data System (ADS)

    Ali, Parvej; Srivastava, Seema; Ansari, Saif-ul-Islam; Gupta, V. D.

    2013-07-01

    Normal modes of vibration and their dispersions in poly(3-methylpyrrole) (P3MPy) based on the Urey-Bradley force field are reported. It provides a detailed interpretation of previously reported I.R. spectra. Characteristic features of dispersion curves, such as regions of high density-of-states, repulsion, and character mixing of dispersive modes are discussed. Predictive values of heat capacity as a function of temperature are calculated from dispersion curves via density-of-states.

  4. Heat capacity and entropy changes in processes involving proteins.

    PubMed Central

    Sturtevant, J M

    1977-01-01

    Six possible sources of the large heat capacity and entropy changes frequently observed for processes involving proteins are identified. Of these the conformational, hydrophobic, and vibrational effects seem likely to be of greatest importance. A method is proposed for estimating the magnitudes of the hydrophobic and vibrational contributions. Application of this method to several protein processes appears to achieve significant clarification of previously confusing and apparently contradictory data. PMID:196283

  5. Heat capacities and thermal conductivities of AmO 2 and AmO 1.5

    NASA Astrophysics Data System (ADS)

    Nishi, Tsuyoshi; Itoh, Akinori; Ichise, Kenichi; Arai, Yasuo

    2011-07-01

    The thermal diffusivity of AmO 2 was measured from 473 to 773 K and that of AmO 1.5 between 473 and 1373 K using a laser flash method. The enthalpy increment of AmO 2 was measured from 335 to 1081 K and that of AmO 1.5 between 335 and 1086 K using drop calorimetry. The heat capacities of AmO 2 and AmO 1.5 were derived from the enthalpy increment measurements. The thermal conductivity was determined from the measured thermal diffusivity, heat capacity and bulk density. The heat capacities of AmO 2 was found larger than that of AmO 1.5. The thermal conductivities of AmO 2 and AmO 1.5 were found to decrease with increasing temperature in the investigated temperature range. The thermal conductivity of AmO 1.5 with A -type hexagonal structure was smaller than that of AmO 2 with C-type fluorite structure but larger than that of sub-stoichiometric AmO 1.73.

  6. Heat Capacity Uncertainty Calculation for the Eutectic Mixture of Biphenyl/Diphenyl Ether Used as Heat Transfer Fluid: Preprint

    SciTech Connect

    Gomez, J. C.; Glatzmaier, G. C.; Mehos, M.

    2012-09-01

    The main objective of this study was to calculate the uncertainty at 95% confidence for the experimental values of heat capacity of the eutectic mixture of biphenyl/diphenyl ether (Therminol VP-1) determined from 300 to 370 degrees C. Twenty-five samples were evaluated using differential scanning calorimetry (DSC) to obtain the sample heat flow as a function of temperature. The ASTM E-1269-05 standard was used to determine the heat capacity using DSC evaluations. High-pressure crucibles were employed to contain the sample in the liquid state without vaporizing. Sample handling has a significant impact on the random uncertainty. It was determined that the fluid is difficult to handle, and a high variability of the data was produced. The heat capacity of Therminol VP-1 between 300 and 370 degrees C was measured to be equal to 0.0025T+0.8672 with an uncertainty of +/- 0.074 J/g.K (3.09%) at 95% confidence with T (temperature) in Kelvin.

  7. Specific heat capacity of nanoporous Al2O3

    NASA Astrophysics Data System (ADS)

    Huang, Cong-Liang; Feng, Yan-Hui; Zhang, Xin-Xin; Li, Jing; Wang, Ge

    2013-09-01

    Based on Lindemann's criterion, a specific heat capacity model for nanoporous material was proposed by defining the surface-atom layer, to take the surface atoms and the volume atoms separately into account. The height of the surface-atom layer was determined from the experiment, and results show that only the first layer atoms on the surface should be separately considered for nanoporous Al2O3. The shape factor of the pore was also introduced in the model with values between 2 (for cylindrical pore) and 3 (for spherical pore) to characterize the morphology of the pore. It turns out experimentally that the specific heat capacity of the analyzed nanoporous Al2O3 is much larger than that of the bulk, which can be interpreted as due to the fact that the surface atom plays a more important role than the volume one. And the smaller the radius and/or the larger the porosity, which lead to a larger surface-volume ratio, the larger the specific heat capacity becomes. The nanoporous material could be a better heat storage medium than the corresponding bulk with a much lighter weight, smaller volume but higher heat storage capacity.

  8. Investigation of glass-ionomer cements using differential scanning calorimetry.

    PubMed

    Khalil, S K; Atkins, E D

    1998-09-01

    Six commercial glass-ionomer cements commonly used for various dental applications have been investigated using differential scanning calorimetry (DSC). The heat-flow behaviour and heat capacity of the cements were measured during isothermal (at 37 degrees C) setting reactions. The DSC results show that all materials undergo an exothermic setting process, but with different enthalpies of reactions and different heat capacities; there are no remaining endo- or exothermic reactions after the setting of the cement. All materials examined were found to be effective thermal insulators. PMID:15348851

  9. Determination of the heat capacities of Lithium/BCX (bromide chloride in thionyl chloride) batteries

    NASA Technical Reports Server (NTRS)

    Kubow, Stephen A.; Takeuchi, Kenneth J.; Takeuchi, Esther S.

    1989-01-01

    Heat capacities of twelve different Lithium/BCX (BrCl in thionyl chloride) batteries in sizes AA, C, D, and DD were determined. Procedures and measurement results are reported. The procedure allowed simple, reproducible, and precise determinations of heat capacities of industrially important Lithium/BCX cells, without interfering with performance of the cells. Use of aluminum standards allowed the accuracy of the measurements to be maintained. The measured heat capacities were within 5 percent of calculated heat capacity values.

  10. Ground water applications of the heat capacity mapping mission

    NASA Technical Reports Server (NTRS)

    Heilman, J. L.; Moore, D. G.

    1981-01-01

    The paper discusses the ground water portion of a hydrologic investigation of eastern South Dakota using data from the Heat Capacity Mapping Mission (HCMM) satellite. The satellite carries a two-channel radiometer (0.5-1.1 and 10.5-12.5 microns) in a sun synchronous orbit and collects data at approximately 0230 and 1330 local standard time with repeat coverage of 5 to 16 days depending on latitude. It is shown that HCMM data acquired at appropriate periods of the diurnal and annual temperature cycle can provide useful information on shallow ground water.

  11. Specific heat capacity of molten salt-based alumina nanofluid.

    PubMed

    Lu, Ming-Chang; Huang, Chien-Hsun

    2013-06-21

    There is no consensus on the effect of nanoparticle (NP) addition on the specific heat capacity (SHC) of fluids. In addition, the predictions from the existing model have a large discrepancy from the measured SHCs in nanofluids. We show that the SHC of the molten salt-based alumina nanofluid decreases with reducing particle size and increasing particle concentration. The NP size-dependent SHC is resulted from an augmentation of the nanolayer effect as particle size reduces. A model considering the nanolayer effect which supports the experimental results was proposed.

  12. Heat Capacity Mapping Mission investigation no. 25 (Tellus project)

    NASA Technical Reports Server (NTRS)

    Deparatesi, S. G. (Principal Investigator); Reiniger, P. (Editor)

    1982-01-01

    The TELLUS pilot project, utilizing 0.5 to 1.1 micron and 10.5 to 12.5 micron day and/or night imagery from the Heat Capacity Mapping Mission, is described. The application of remotely sensed data to synoptic evaluation of evapotranspiration and moisture in agricultural soils was considered. The influence of topography, soils, land use, and meteorology on surface temperature distribution was evaluated. Anthropogenic heat release was investigated. Test areas extended from semi-arid land in southern Italy to polders in the Netherlands, and from vine-growing hills in the Rhineland to grasslands in Buckinghamshire.

  13. On the specific heat capacity enhancement in nanofluids.

    PubMed

    Hentschke, Reinhard

    2016-12-01

    Molten salts are used as heat transfer fluids and for short-term heat energy storage in solar power plants. Experiments show that the specific heat capacity of the base salt may be significantly enhanced by adding small amounts of certain nanoparticles. This effect, which is technically interesting and economically important, is not yet understood. This paper presents a critical discussion of the existing attendant experimental literature and the phenomenological models put forward thus far. A common assumption, the existence of nanolayers surrounding the nanoparticles, which are thought to be the source of, in some cases, the large increase of a nanofluid's specific heat capacity is criticized and a different model is proposed. The model assumes that the influence of the nanoparticles in the surrounding liquid is of long range. The attendant long-range interfacial layers may interact with each other upon increase of nanoparticle concentration. This can explain the specific heat maximum observed by different groups, for which no other theoretical explanation appears to exist. PMID:26873263

  14. On the specific heat capacity enhancement in nanofluids

    NASA Astrophysics Data System (ADS)

    Hentschke, Reinhard

    2016-02-01

    Molten salts are used as heat transfer fluids and for short-term heat energy storage in solar power plants. Experiments show that the specific heat capacity of the base salt may be significantly enhanced by adding small amounts of certain nanoparticles. This effect, which is technically interesting and economically important, is not yet understood. This paper presents a critical discussion of the existing attendant experimental literature and the phenomenological models put forward thus far. A common assumption, the existence of nanolayers surrounding the nanoparticles, which are thought to be the source of, in some cases, the large increase of a nanofluid's specific heat capacity is criticized and a different model is proposed. The model assumes that the influence of the nanoparticles in the surrounding liquid is of long range. The attendant long-range interfacial layers may interact with each other upon increase of nanoparticle concentration. This can explain the specific heat maximum observed by different groups, for which no other theoretical explanation appears to exist.

  15. An automated flow calorimeter for heat capacity and enthalpy measurements

    NASA Astrophysics Data System (ADS)

    Sandarusi, J. A.; Yesavage, V. F.

    1988-11-01

    An automated flow calorimeter has been developed for the measurement of heat capacity and latent enthalpies of fluids at elevated temperatures (300 700 K) and pressure (<30M Pa) with a design accuracy of 0.1%. The method of measurement is the traditional electrical power input flow calorimeter, utilizing a precision metering pump, which eliminates the need for flow-rate monitoring. The calorimeter cell uses a unique concentric coil design with passive metal radiation shields and active guard heaters to minimize heat leakage, eliminate the traditional constant-temperature bath, and facilitate easy component replacement. An additional feature of the instrument is a complete automation system, greatly simplifying operation of the apparatus. A novel multitasking software scheme allows a single microcomputer simultaneously to control all system temperatures, provide continuous monitoring and updates on system status, and log data. Preliminary results for liquid water mean heat capacities show the equipment to be performing satisfactorily, with data accuracies of better than ±0.3%. Minor equipment modifications and better thermometry are required to reduce systemic errors and to achieve the designed operational range.

  16. On the specific heat capacity enhancement in nanofluids.

    PubMed

    Hentschke, Reinhard

    2016-12-01

    Molten salts are used as heat transfer fluids and for short-term heat energy storage in solar power plants. Experiments show that the specific heat capacity of the base salt may be significantly enhanced by adding small amounts of certain nanoparticles. This effect, which is technically interesting and economically important, is not yet understood. This paper presents a critical discussion of the existing attendant experimental literature and the phenomenological models put forward thus far. A common assumption, the existence of nanolayers surrounding the nanoparticles, which are thought to be the source of, in some cases, the large increase of a nanofluid's specific heat capacity is criticized and a different model is proposed. The model assumes that the influence of the nanoparticles in the surrounding liquid is of long range. The attendant long-range interfacial layers may interact with each other upon increase of nanoparticle concentration. This can explain the specific heat maximum observed by different groups, for which no other theoretical explanation appears to exist.

  17. An automated flow calorimeter for heat capacity and enthalpy measurements

    SciTech Connect

    Sandarusi, J.A.; Yesavage, V.F.

    1988-11-01

    An automated flow calorimeter has been developed for the measurement of heat capacity and latent enthalpies of fluids at elevated temperatures (300-700 K) and pressure (< 30 MPa) with a design accuracy of 0.1%. The method of measurement is the traditional electrical power input flow calorimeter, utilizing a precision metering pump, which eliminates the need for flow-rate monitoring. The calorimeter cell uses a unique concentric coil design with passive metal radiation shields and active guard heaters to minimize heat leakage, eliminate the traditional constant-temperature bath, and facilitate easy component replacement. An additional feature of the instrument is a complete automation system, greatly simplifying operation of the apparatus. A novel multitasking software scheme allows a single microcomputer simultaneously to control all system temperatures, provide continuous monitoring and updates on system status, and log data. Preliminary results for liquid water mean heat capacities show the equipment to be performing satisfactorily, with data accuracies of better than /plus minus/0.3%. Minor equipment modifications and better thermometry are required to reduce systemic errors and to achieve the designed operational range.

  18. Experimental validation of enhanced heat capacity of ionic liquid-based nanomaterial

    NASA Astrophysics Data System (ADS)

    Tiznobaik, Hani; Shin, Donghyun

    2013-04-01

    Enhanced heat capacities of molten salts and oxide nanoparticle mixtures ("nanomaterials") have been recently reported. These molten salts are used as thermal energy storage in solar thermal power, and the enhancement of their heat capacities are expected to significantly decrease the cost of electricity. However, the mechanism for the enhanced heat capacity of these nanomaterials is unknown. Different phase transition of molten salts near nanoparticles has been recently proposed to be primarily responsible for the enhanced heat capacity of this type of nanomaterials. Hence, we present an experimental validation of the proposed mechanism for the enhanced heat capacity of nanomaterials.

  19. Thermodynamic investigation by heat capacity measurements of ferrimagnetic A2Mn[Mn(CN)6] (A=K, Rb, Cs) Prussian blue compounds.

    PubMed

    Kawamoto, Yuka; Yamashita, Satoshi; Yoshimoto, Ryo; Nakazawa, Yasuhiro; DaSilva, Jack G; Kareis, Christopher M; Miller, Joel S

    2014-01-01

    Heat capacity measurements of a new series of Prussian blue analogs of A2Mn[Mn(CN)6] (A=K, Rb, Cs) composition were performed using thermal relaxation calorimetry. The Cs compound has a face-centered cubic structure with a linear Mn-C≡N-Mn linkage, while the monoclinic Rb and K compounds have nonlinear Mn-C≡N-Mn linkages. For all of the compounds, large broad thermal anomalies associated with magnetic transitions were observed in the temperature dependence of the heat capacity. The systematic changes in the heat capacity for the three compounds under magnetic fields of up to 7 T were found to be consistent with ferrimagnetic ordering with large spontaneous magnetization. Although the peak temperatures were slightly lower than reported values obtained by magnetic susceptibility measurements, the magnetic entropy was evaluated to be 22.0 ± 2.5 J K(-1) mol(-1). This value is consistent with an entropy of Rln12 corresponding to full entropy of one low-spin and one high-spin Mn(II) ion in the formula unit, though some ambiguity remains in lattice estimation. Broadening of the peak width of the magnetic heat capacity divided by the temperature was observed as the size of the alkali ions decreased from Cs to K. This behavior is consistent with an increase in the lattice distortion produced by the bending of the C≡N-Mn angles. PMID:24263378

  20. Thermodynamic investigation by heat capacity measurements of ferrimagnetic A2Mn[Mn(CN)6] (A=K, Rb, Cs) Prussian blue compounds.

    PubMed

    Kawamoto, Yuka; Yamashita, Satoshi; Yoshimoto, Ryo; Nakazawa, Yasuhiro; DaSilva, Jack G; Kareis, Christopher M; Miller, Joel S

    2014-01-01

    Heat capacity measurements of a new series of Prussian blue analogs of A2Mn[Mn(CN)6] (A=K, Rb, Cs) composition were performed using thermal relaxation calorimetry. The Cs compound has a face-centered cubic structure with a linear Mn-C≡N-Mn linkage, while the monoclinic Rb and K compounds have nonlinear Mn-C≡N-Mn linkages. For all of the compounds, large broad thermal anomalies associated with magnetic transitions were observed in the temperature dependence of the heat capacity. The systematic changes in the heat capacity for the three compounds under magnetic fields of up to 7 T were found to be consistent with ferrimagnetic ordering with large spontaneous magnetization. Although the peak temperatures were slightly lower than reported values obtained by magnetic susceptibility measurements, the magnetic entropy was evaluated to be 22.0 ± 2.5 J K(-1) mol(-1). This value is consistent with an entropy of Rln12 corresponding to full entropy of one low-spin and one high-spin Mn(II) ion in the formula unit, though some ambiguity remains in lattice estimation. Broadening of the peak width of the magnetic heat capacity divided by the temperature was observed as the size of the alkali ions decreased from Cs to K. This behavior is consistent with an increase in the lattice distortion produced by the bending of the C≡N-Mn angles.

  1. Heat Capacity Changes Associated with DNA Duplex Formation: Salt- and Sequence-Dependent Effects†

    PubMed Central

    Mikulecky, Peter J.; Feig, Andrew L.

    2008-01-01

    Duplexes are the most fundamental elements of nucleic acid folding. Although it has become increasingly clear that duplex formation can be associated with a significant change in heat capacity (ΔCp), this parameter is typically overlooked in thermodynamic studies of nucleic acid folding. Analogy to protein folding suggests that base stacking events coupled to duplex formation should give rise to a ΔCp due to the release of waters solvating aromatic surfaces of nucleotide bases. In previous work, we showed that the ΔCp observed by isothermal titration calorimetry (ITC) for RNA duplex formation depended on salt and sequence. In the present work, we apply calorimetric and spectroscopic techniques to a series of designed DNA duplexes to demonstrate that both the salt dependence and sequence dependence of ΔCps observed by ITC reflect perturbations to the same fundamental phenomenon: stacking in the single-stranded state. By measuring the thermodynamics of single strand melting, one can accurately predict the ΔCps observed for duplex formation by ITC at high and low ionic strength. We discuss our results in light of the larger issue of contributions to ΔCp from coupled equilibria and conclude that observed ΔCps can be useful indicators of intermediate states in nucleic acid folding phenomena. PMID:16401089

  2. Heat capacity changes in RNA folding: application of perturbation theory to hammerhead ribozyme cold denaturation

    PubMed Central

    Mikulecky, Peter J.; Feig, Andrew L.

    2004-01-01

    In proteins, empirical correlations have shown that changes in heat capacity (ΔCP) scale linearly with the hydrophobic surface area buried upon folding. The influence of ΔCP on RNA folding has been widely overlooked and is poorly understood. In addition to considerations of solvent reorganization, electrostatic effects might contribute to ΔCPs of folding in polyanionic species such as RNAs. Here, we employ a perturbation method based on electrostatic theory to probe the hot and cold denaturation behavior of the hammerhead ribozyme. This treatment avoids much of the error associated with imposing two-state folding models on non-two-state systems. Ribozyme stability is perturbed across a matrix of solvent conditions by varying the concentration of NaCl and methanol co-solvent. Temperature-dependent unfolding is then monitored by circular dichroism spectroscopy. The resulting array of unfolding transitions can be used to calculate a ΔCP of folding that accurately predicts the observed cold denaturation temperature. We confirm the accuracy of the calculated ΔCP by using isothermal titration calorimetry, and also demonstrate a methanol-dependence of the ΔCP. We weigh the strengths and limitations of this method for determining ΔCP values. Finally, we discuss the data in light of the physical origins of the ΔCPs for RNA folding and consider their impact on biological function. PMID:15282329

  3. Soil moisture applications of the heat capacity mapping mission

    NASA Technical Reports Server (NTRS)

    Heilman, J. L.; Moore, D. G.

    1981-01-01

    Results are presented of ground, aircraft and satellite investigations conducted to evaluate the potential of the Heat Capacity Mapping Mission (HCMM) to monitor soil moisture and the depth of shallow ground water. The investigations were carried out over eastern South Dakota to evaluate the relation between directly measured soil temperatures and water content at various stages of canopy development, aircraft thermal scanner measurements of apparent canopy temperature and the reliability of actual HCMM data. The results demonstrate the possibility of evaluating soil moisture on the basis of HCMM apparent canopy temperature and day-night soil temperature difference measurements. Limitations on the use of thermal data posed by environmental factors which influence energy balance interactions, including phase transformations, wind patterns, topographic variations and atmospheric constituents are pointed out.

  4. Heat capacity mapping mission. [satellite for earth surface temperature measurement

    NASA Technical Reports Server (NTRS)

    Price, J. C.

    1978-01-01

    A Heat Capacity Mapping Mission (HCMM), part of a series of Applications Explorers Missions, is designed to provide data on surface heating as a response to solar energy input. The data is obtained by a two channel scanning radiometer, with one channel covering the visible and near-IR band between 0.5 and 1.1 micrometers, and the other covering the thermal-IR between 10.5 and 12.5 micrometers. The temperature range covered lies between 260 and 340 K, in 0.3 deg steps, with an accuracy at 280 K of plus or minus 0.5 K. Nominal altitude is 620 km, with a ground swath 700 km wide.

  5. Heat Capacity Changes Associated with Nucleic Acid Folding

    PubMed Central

    Mikulecky, Peter J.; Feig, Andrew L.

    2008-01-01

    Whereas heat capacity changes (ΔCPs) associated with folding transitions are commonplace in the literature of protein folding, they have long been considered a minor energetic contributor in nucleic acid folding. Recent advances in the understanding of nucleic acid folding and improved technology for measuring the energetics of folding transitions have allowed a greater experimental window for measuring these effects. We present in this review a survey of current literature that confronts the issue of ΔCPs associated with nucleic acid folding transitions. This work helps to gather the molecular insights that can be gleaned from analysis of ΔCPs and points toward the challenges that will need to be overcome if the energetic contribution of ΔCP terms are to be put to use in improving free energy calculations for nucleic acid structure prediction. PMID:16429398

  6. Modeling of Material Removal by Solid State Heat Capacity Lasers

    SciTech Connect

    Boley, C D; Rubenchik, A M

    2002-04-17

    Pulsed lasers offer the capability of rapid material removal. Here we present simulations of steel coupon tests by two solid state heat capacity lasers built at LLNL. Operating at 1.05 pm, these deliver pulse energies of about 80 J at 10 Hz, and about 500 J at 20 Hz. Each is flashlamp-pumped. The first laser was tested at LLNL, while the second laser has been delivered to HELSTF, White Sands Missile Range. Liquid ejection appears to be an important removal mechanism. We have modeled these experiments via a time-dependent code called THALES, which describes heat transport, melting, vaporization, and the hydrodynamics of liquid, vapor, and air. It was previously used, in a less advanced form, to model drilling by copper vapor lasers [1] . It was also used to model vaporization in beam dumps for a high-power laser [2]. The basic model is in 1D, while the liquid hydrodynamics is handled in 2D.

  7. Nanoscale thermometry, calorimetry, and bolometry at radio-frequencies.

    NASA Astrophysics Data System (ADS)

    Schmidt, Daniel

    2004-03-01

    We measure the temperature of nanostructures at timescales below a microsecond using our radio-frequency superconductor-insulator-normal metal (rf-SIN) thermometer. Our first generation devices yielded calorimetry at the smallest heat capacity scale to date for solid state systems (C ˜ fJ/K); we expect the ultimate limit of our technique to be orders of magnitude lower, yielding an approach for calorimetry of systems with few degrees of freedom (C ˜ k_B). In addition to opening up a new arena of thermal physics, the rf-SIN provides key technology for far-infrared photon counting bolometers.

  8. Interlayer thermal conductivity of rubrene measured by ac-calorimetry

    NASA Astrophysics Data System (ADS)

    Zhang, H.; Brill, J. W.

    2013-07-01

    We have measured the interlayer thermal conductivity of crystals of the organic semiconductor rubrene, using ac-calorimetry. Since ac-calorimetry is most commonly used for measurements of the heat capacity, we include a discussion of its extension for measurements of the transverse thermal conductivity of thin crystals of poor thermal conductors, including the limitations of the technique. For rubrene, we find that the interlayer thermal conductivity, ≈0.7 mW/cm . K, is several times smaller than the (previously measured) in-layer value, but its temperature dependence indicates that the interlayer mean free path is at least a few layers.

  9. Low-temperature heat capacity of magnetic fluids

    NASA Astrophysics Data System (ADS)

    Lebedev, A. V.

    2008-12-01

    This paper continues the previous investigation into a recently discovered phenomenon of magnetic fluid solidification at temperatures essentially exceeding the freezing point of the base fluid. Physically, this phenomenon is related to the fact that at decreasing temperatures the magnetic fluid loses fluidity (with its viscosity tending to infinity) at a temperature higher than the freezing point of the base fluid. The main factor determining the freezing point is the type of the surface-active substance covering the particles. A group of different surfactants is examined with the aim of finding the lowest possible solidification temperature. The best result is obtained for linoleic acid (-100°C). In order to gain a deeper insight into the mechanisms of fluid solidification, a series of thermophysical measurements has been done. Heat capacity measurements made for an isooctane-based magnetic fluid stabilized by oleic acid at a temperature ranging from -130°C to 0 did not reveal any noticeable heat capacity anomalies in the vicinity of the solidification temperature. This suggests that the solidification of the magnetic fluid proceeds without phase transition. The highest peak of the heat flux is observed at the freezing point of isooctane. The position of the maximum slightly changes with the concentration of magnetic particles. With an increase of the concentration the temperature of the heat flux maximum decreases. In the presence of free oleic acid in isooctane a low peak is observed at a temperature of about -15°C. The peak position is independent of the oleic acid concentration. Tables 1, Figs 7, Refs 1.

  10. Heat capacities and entropies at 298.15 K of MgTiO3 (geikielite), ZnO (zincite), and ZnCO3 (smithsonite)

    USGS Publications Warehouse

    Robie, R.A.; Haselton, H.T.; Hemingway, B.S.

    1989-01-01

    Heat capacities of synthetic MgTiO3 (geikielite), ZnO (zincite), and natural crystals of smithsonite (ZnCO3) were measured between 9 and 366 K using an automatic adiabatically shielded calorimeter. At 298.15 K the standard molar entropies Smo of MgTiO3, ZnO, and ZnCO3 are (74.64 ?? 0.15), (43.16 ?? 0.09), and (81.19 ?? 0.16) J??K-1??mol-1, respectively. Debye temperatures for MgTiO3 and ZnO calculated from our Cp, mo values below 20 K are (900 ?? 20) K and (440 ?? 25) K respectively. Heat capacities for MgTiO3 and ZnO were combined with enthalpy increments from the literature to derive heat-capacity equations for these phases from 260 to about 1800 K. The heat capacities of MgTiO3 between 260 and 1720 K were fitted with an average deviation of 0.3 per cent by the equation: C??p,m/(J??K-1??mol-1) = 222.5-0.05274(T/K)-6.092x105(T/K)-1-1874.6(T/K) -1/2+1.878x10-5(T/K)2 and for ZnO the equation: C??p,m/(J??K-1??mol-1) = 53.999+7.851x10-4(T/K)-5.868x105(T/K)-2 -127.50(T/K)-:1/2+1.9376x10-6(T/K)2 fits the heat capacities in the temperature interval of 250 to 1800 K with an average deviation of 0.7 per cent. ?? 1989.

  11. Spin density wave (SDW) transition in Ru doped BaFeAs{sub 2} investigated by AC steady state calorimetry

    SciTech Connect

    Vinod, K. Sharma, Shilpam; Sundar, C. S.; Bharathi, A.

    2015-06-24

    Heat capacity measurements were done on sub-micron sized BaFe{sub 2−x}Ru{sub x}As{sub 2} single crystals using thin film membrane based the AC steady state calorimetry technique. Noticeable thermal hysteresis is observed in the heat capacity of the BaFe{sub 2−x}Ru{sub x}As{sub 2} during cooling and warming cycles, indicating first order nature of the SDW transition.

  12. Molecular origin of the negative heat capacity of hydrophilic hydration

    NASA Astrophysics Data System (ADS)

    Kinoshita, Masahiro; Yoshidome, Takashi

    2009-04-01

    The hydrophobic and hydrophilic hydrations are analyzed with the emphasis on the sign of the heat capacity of hydration (HCH). The angle-dependent integral equation theory combined with a multipolar water model is employed in the analysis. The hydration entropy (HE) is decomposed into the translational and orientational parts. It is found that the orientational part governs the temperature dependence of the HE. The orientational part is further decomposed into the solute-water pair correlation component (component 1) and the water reorganization component (component 2). For hydrophilic solutes, components 1 and 2 are negative and positive, respectively. As the temperature becomes higher, component 1 increases while component 2 decreases: They make positive and negative contributions to the HCH, respectively. The strong solute-water electrostatic attractive interactions induce the distortion of water structure near the solute and the break of hydrogen bonds. As the temperature increases, the effect of the attractive interactions becomes smaller and the distortion of water structure is reduced (i.e., more hydrogen bonds are recovered with increasing temperature). The latter effect dominates, leading to negative HCH. During the heat addition the formation of hydrogen bonds, which accompanies heat generation, occurs near the solute. Consequently, the addition of the same amount of heat leads to a larger increase in the thermal energy (or equivalently, in the temperature) than in the case of pure water. The hydrophobic hydration, which is opposite to the hydrophilic hydration in many respects, is also discussed in detail.

  13. FY04 LDRD Final Report Small Sample Heat Capacity Under High Pressure LDRD Project Tracking Code: 04-FS-020

    SciTech Connect

    McCall, S K; Jackson, D D

    2005-02-11

    Specific heat provides a probe of bulk thermodynamic properties, including low energy excitations (phonons, magnons, etc), the electron density of states, and direct observation of phase transitions. The ability to measure specific heat as a function of pressure permits study of these properties as a function of lattice parameters. This in turn should allow construction of an equation of state for a given system. Previous measurements of specific heat under pressure done by adiabatic methods were limited to materials with extremely large heat capacities because it was difficult to decouple the sample heat capacity from the surrounding pressure cell. Starting in the late Seventies, Eichler and Gey[1] demonstrated an AC technique to measure heat capacity of relatively small samples ({approx}100's mg) in a piston pressure cylinder at pressures up to 2 GPa. More recently, this technique has been expanded to include work on significantly smaller samples (< 1mg) in large diamond anvil cells (DAC)[2]. However, these techniques require a relatively weak coupling of the sample to the surrounding thermal bath, which limits the base temperature, particularly for radioactive samples possessing significant self-heating such as plutonium. A different technique, sometimes referred to as the 3{omega}-technique, utilizes a two dimensional heat flow model to extract heat capacity, C, and {kappa}, the thermal conductivity, from an oscillating heat input. One advantage of this method is that it does not require that the sample be thermally isolated from the heat bath, so lower base temperatures should be accessible to interesting self-heating samples. From an experimental perspective, the design requirements of the 3{omega} and AC techniques are quite similar. We focused on development of these techniques for a copper-beryllium (CuBe) pressure clamp for use on small samples at temperatures down to 1.7K and at pressures up to 1.6 GPa. The successful development of this capability will

  14. The standard enthalpy of formation and low-temperature heat capacity of 1,1',3,3'-tetra-( tert-butyl)ferrocene

    NASA Astrophysics Data System (ADS)

    Kozlova, M. S.; Larina, V. N.; Karyakin, N. V.; Sheiman, M. S.

    2008-12-01

    The heat capacity of crystalline 1,1',3,3'-tetra-( tert-butyl)ferrocene (TTBF) was measured in an adiabatic vacuum calorimeter over the temperature range 5-302 K. The thermodynamic functions of TTBF in the crystalline state were calculated from T→0 to 302 K. The enthalpy of combustion of TTBF was determined in an isothermal calorimeter with a stationary bomb. The standard thermodynamic functions of formation of the compound in the crystalline state at 298.15 K were calculated.

  15. Application of a digital computer to data acquisition and shield temperature control of a high-temperature, adiabatic calorimeter

    SciTech Connect

    Cash, W.M.; Stansbury, E.E.; Moore, C.F.; Brooks, C.R.

    1981-06-01

    The use of a digital computer, operating under real-time, time-sharing mode, for the operation of a high-temperature (300--1300 K), adiabatic calorimeter is described. The specimen temperature and power to the specimen heater are logged continuously, from which the heat capacity is calculated for specified temperature intervals (e.g., 20 K). The determinate error in the calculated heat capacity is about +- 0.6%. The temperature control of the adiabatic shields is quite comparable with that obtained previously with analog controllers. The temperature difference between the specimen and a shield can be maintained to about +- 0.1 K. The heat capacity of a pure titanium specimen has been measured from 320 to 1020 K using the computer and also using the analog control. No discernible difference in results can be seen. The heat capacity data scatter about +- 1% from a smooth curve fitted through the 325 data points.

  16. Heat capacity of xenon adsorbed on nanobundle grooves

    NASA Astrophysics Data System (ADS)

    Chishko, K. A.; Sokolova, E. S.

    2016-02-01

    A model of a one-dimensional nonideal gas in an external transverse force field is used to interpret the experimentally observed thermodynamic properties of xenon deposited in grooves on the surface of carbon nanobundles. A nonideal gas model with pairwise interactions is not entirely adequate for describing dense adsorbates (at low temperatures), but makes it easy to account for the exchange of particles between the 1D adsorbate and the 3D atmosphere, which is an important factor at intermediate (on the order of 35 K for xenon) and, especially, high (˜100 K) temperatures. In this paper, we examine a 1D real gas taking only the one-dimensional Lennard-Jones interaction into account, but under exact equilibrium with respect to the number of particles between the 1D adsorbate and the 3D atmosphere of the measurement cell. The low-temperature branch of the specific heat is fitted independently by an elastic chain model so as to obtain the best agreement between theory and experiment over the widest possible region, beginning at zero temperature. The gas approximation sets in after temperatures for which the phonon specific heat of the chain essentially transforms to a one-dimensional equipartition law. Here the basic parameters of both models can be chosen so that the heat capacity C(T) of the chain transforms essentially continuously into the corresponding curve for the gas approximation. Thus, it can be expected that an adequate interpretation of the real temperature dependences of the specific heat of low-dimensionality atomic adsorbates can be obtained through a reasonable combination of the phonon and gas approximations. The main parameters of the gas approximation (such as the desorption energy) obtained by fitting the theory to experiments on the specific heat of xenon correlate well with published data.

  17. Heat Capacity Changes and Disorder-to-Order Transitions in Allosteric Activation.

    PubMed

    Cressman, William J; Beckett, Dorothy

    2016-01-19

    Allosteric coupling in proteins is ubiquitous but incompletely understood, particularly in systems characterized by coupling over large distances. Binding of the allosteric effector, bio-5'-AMP, to the Escherichia coli biotin protein ligase, BirA, enhances the protein's dimerization free energy by -4 kcal/mol. Previous studies revealed that disorder-to-order transitions at the effector binding and dimerization sites, which are separated by 33 Å, are integral to functional coupling. Perturbations to the transition at the ligand binding site alter both ligand binding and coupled dimerization. Alanine substitutions in four loops on the dimerization surface yield a range of energetic effects on dimerization. A glycine to alanine substitution at position 142 in one of these loops results in a complete loss of allosteric coupling, disruption of the disorder-to-order transitions at both functional sites, and a decreased affinity for the effector. In this work, allosteric communication between the effector binding and dimerization surfaces in BirA was further investigated by performing isothermal titration calorimetry measurements on nine proteins with alanine substitutions in three dimerization surface loops. In contrast to BirAG142A, at 20 °C all variants bind to bio-5'-AMP with free energies indistinguishable from that measured for wild-type BirA. However, the majority of the variants exhibit altered heat capacity changes for effector binding. Moreover, the ΔCp values correlate with the dimerization free energies of the effector-bound proteins. These thermodynamic results, combined with structural information, indicate that allosteric activation of the BirA monomer involves formation of a network of intramolecular interactions on the dimerization surface in response to bio-5'-AMP binding at the distant effector binding site.

  18. Isochoric Heat Capacities of Ethanol-water Mixtures at Temperatures from 280K to 420K and Pressures up to 30MPa

    NASA Astrophysics Data System (ADS)

    Kitajima, Hiroshi; Kagawa, Noboru; Tsuruno, Seizo; Endo, Harumi; W. Magee, Joseph

    Specific heat capacity at constant volume is one of the most important thermodynamic properties to develop and evaluate thermodynamic equations of state. With this viewpoint, isochoric heat capacities of ethanol-water mixtures have beenmeasured with a twin-cell type adiabatic calorimeter developed at the National Defense Academy. Temperatures were measured with a platinum resistance thermometer on the bottom of each cell and were reported on the ITS-90. Sample pressure measurements were made with a quartz crystal transducer. Densities were calculated from the volume of the calorimeter cell and sample mass. The experimental expanded uncertainty (with a coverage factor k=2)of temperature measurements is ±13mK, and that of pressure measurement is ±8kPa. The expanded relative uncertainty for isochoric heat capacity is estimated to be ±2% for liquid phase measurements, and for density it is ±0.16%. The present measurements for {xC2H5OH + (l-x)H2O} with x=(0.104, 0.253, 0.498 and 0.755), were obtained at temperatures from 280 to 420 K and at pressures up to 30 MPa.

  19. Low Temperature Heat Capacities and Standard Molar Enthalpy of Formation of 2-Pyrazinecarboxylic Acid (C5H4N2O2)(s).

    PubMed

    Kong, Yu-Xia; Di, You-Ying; Yang, Wei-Wei; Gao, Sheng-Li; Tan, Zhi-Cheng

    2010-06-01

    Low-temperature heat capacities of 2-pyrazinecarboxylic acid (C5H4N2O2)(s) were measured by a precision automated adiabatic calorimeter over the temperature range from 78 to 400 K. A polynomial equation of heat capacities as a function of temperature was fitted by least squares method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at 10 K intervals. The constant-volume energy of combustion of the compound at T = 298.15 K was measured by a precision rotating-bomb combustion calorimeter to be ΔcU = -(17839.40 ± 7.40) J g-1. The standard molar enthalpy of combustion of the compound was determined to be ΔcH0m = -(2211.39 ± 0.92) KJ mol-1, according to the definition of combustion enthalpy. Finally, the standard molar enthalpy of formation of the compound was calculated to be ΔfH0m = -(327.82 ± 1.13) kJ mol-1 in accordance with Hess law. PMID:24061733

  20. Heat capacity of yttrium aluminum garnet, Y{sub 3}Al{sub 5}O{sub 12}, in the range 350-610 K

    SciTech Connect

    Pashinkin, A.S.; Malkova, A.S.; Ivanov, I.A.

    1995-12-01

    Yttrium aluminum garnet (YAG), Y{sub 3}Al{sub 5}O{sub 12}, doped most often with neodymium (Nd{sup 3+}), is widely used as a gain medium in lasers. In thermodynamic and physical calculations aimed at optimizing conditions for the preparation of YAG, data on its thermodynamic properties, including heat capacity C{sub p}, are of key importance. In earlier studies, C{sub p} of undoped YAG in the range 4.25-300.8 K was measured and its standard entropy calculated. At higher temperatures (223 - 673), heat capacity measurements with an IT-S-400 calorimeter yielded values about 4% greater than an adiabatic calorimeter. This systematic error was taken into account in further calculations so as to match the C{sub p} data in the range 298-673 K with low-temperature measurements. These results should, however, be considered preliminary. Further measurements and more thorough data treatment revealed a pronounced scatter in C{sub p} data in the range 448 - 673 K. Therefore, we undertook repeat measurements of the isobaric heat capacity of YAG with a DSM-2M differential scanning calorimeter.

  1. Heat capacity and heat content measurements on binary compounds in the Ru-Si, Ru-Ge, and Ru-Sn systems

    SciTech Connect

    Kuntz, J.J.; Gachon, J.C.; Feschotte, P.; Perring, L. |

    1997-11-01

    Molar heat capacities of Ru{sub 0.5}Si{sub 0.5} Ru{sub 0.4}Si{sub 0.6}, Ru{sub 0.5}Ge{sub 0.5}, Ru{sub 0.4}Ge{sub 0.6}, Ru{sub 0.4}Sn{sub 0.6}, and Ru{sub 0.3}Sn{sub 0.7} were determined every 10 K by differential scanning calorimetry in the temperature range from 310 to 1080 K. The present results have been fitted by a polynomial function of temperature: C{sub p} = a+bT-cT{sup -2}. Heat contents of the six phases have been verified by drop calorimetry. Standard enthalpies of formation are given for the studied compounds.

  2. Dynamic Calorimetry for Students

    ERIC Educational Resources Information Center

    Kraftmakher, Yaakov

    2007-01-01

    A student experiment on dynamic calorimetry is described. Dynamic calorimetry is a powerful technique for calorimetric studies, especially at high temperatures and pressures. A low-power incandescent lamp serves as the sample. The ScienceWorkshop data-acquisition system with DataStudio software from PASCO Scientific displays the results of the…

  3. Direct Observation of a Majorana Quasiparticle Heat Capacity in 3He

    NASA Astrophysics Data System (ADS)

    Bunkov, Y. M.

    2014-04-01

    The Majorana fermion, which acts as its own antiparticle, was suggested by Majorana in 1937 (Nuovo Cimento 14:171). While no stable particle with Majorana properties has yet been observed, Majorana quasiparticles (QP) may exist at the boundaries of topological insulators. Here we report the preliminary results of direct observation of Majorana QPs by a precise measurements of superfluid 3He heat capacity. The bulk superfluid 3He heat capacity falls exponentially with cooling at the temperatures significantly below the energy gap. Owing to the zero energy gap mode the Majorana heat capacity falls in a power law. The Majorana heat capacity can be larger than bulk one at some temperature, which depends on surface to volume ratio of the experimental cell. Some times ago we developed the Dark matter particles detector (DMD) on a basis of superfluid 3He which is working at the frontier of extremely low temperatures (Winkelmann et al., Nucl. Instrum. Meth. A 559:384-386, 2006). Here we report the observation of zero gap mode of Majorana, follows from the new analyses of DMD heat capacity, published early. We have found a 10 % deviation from the bulk superfluid 3He heat capacity at the temperature of 135 μK. This deviation corresponds well to the theoretical value for Majorana heat capacity at such low temperature. (Note, there were no fitting parameters).

  4. S = 1 Excitations in Heat Capacity of the Haldane Compound TMNIN Doped with a Nonmagnetic Impurity

    NASA Astrophysics Data System (ADS)

    Kawae, Tatsuya; Ito, Masakazu; Mito, Masaki; Takeda, Kazuyoshi

    1999-03-01

    We have studied the field dependence of the heat capacity of a typicalHaldane antiferromagnet (CH3)4NNi(NO)3 (TMNIN) doped with thenonmagnetic impurity Zn2+, as well as of a pure TMNIN. The overallfeatures of the magnetic heat capacity, including the characteristic broadmaximum, are almost reproduced by the theoretical curve with J/k B =-12 K for both systems in zero field. The field dependence in the impuresystems is described well by assuming the Schottky heat capacity with S =1, not S = 1/2 expected from the VBS model. A possible reason why the S= 1 model is suitable is discussed.

  5. Orientation and heat capacity of horizontally adsorbed molecules in electric fields

    NASA Astrophysics Data System (ADS)

    Liao, Ying-Yen

    2014-02-01

    The orientation and the heat capacity of horizontally adsorbed molecules are investigated in static electric fields. We evaluate the energy spectrum and the wave function to probe the rotational characteristics of the molecule. Numerical results indicate that the electric field and the effect of quantum confinement lead to anticrossing behaviors in the energy levels. The orientation reveals a stepped feature due to the anticrossing in the ground state. Moreover, the heat capacity displays two peaks near the anticrossing. By means of comparison, each peak of the heat capacity corresponds to a particular degree of orientation.

  6. Thermal Properties of Trogamid by Conventional and Fast Scanning Calorimetry

    NASA Astrophysics Data System (ADS)

    Cebe, Peggy; Merfeld, John; Mao, Bin; Wurm, Andreas; Zhuravlev, Evgeny; Schick, Christoph

    We use conventional slow scan rate differential scanning calorimetry, and fast scanning chip-based calorimetry (FSC), to investigate the crystallization and melting behavior of Trogamid, a chemical relative of nylon. Fundamental thermal properties of Trogamid were studied, including the melt crystallization kinetics, heat of fusion, and the solid and liquid state heat capacities. Using slow scan DSC (at 5 K/min), Trogamid displays a glass transition relaxation process at ~133 C, melting endotherm peak at 250 C, and is stable upon repeated heating to 310 C. When using slow scan DSC, the isothermal melt crystallization temperatures were restricted to 225 C or above. Trogamid crystallizes rapidly from the melt and conventional calorimetry is unable to cool sufficiently fast to prevent nucleation and crystal growth prior to stabilization at lower crystallization temperatures. Using FSC we were able to cool nano-gram sizes samples at 2000 K/s to investigate a much lower range of melt crystallization temperatures, from 205-225 C. The experimental protocol for performing FSC on semicrystalline polymers to obtain liquid state heat capacity data will be presented. National Science Foundation, Polymers Program DMR-1206010; DAAD; Tufts Faculty Supported Leave.

  7. The Collapse of Hydrodynamic Radii In Pluronic Pe6400 Micelles In Vicinity of Supramolecular Transition: Dynamic Light Scattering, Heat Capacity and Sound Velocity Measurements

    NASA Astrophysics Data System (ADS)

    Bakaeva, Z.; Igamberdiev, K.; Khabibulaev, P.; Stepanek, P.; Cernoch, P.

    This work reports the results of a study of the microstructural and dynamical properties of self-assembled triblock copolymers. It was performed using adiabatic calorimetry, ultrasonic spectroscopy and dynamic light scattering. In the vicinity of supramolecular transitions, first aggregates occur; with further increasing temperature a spontaneous forming of compact structures was observed in the system. These results are supported by data of the shear viscosity and free internal volume parameters calculated in the framework of the Frenkel-Andrade approach.

  8. Prediction of heat capacities of solid inorganic salts from group contributions

    SciTech Connect

    Mostafa, A.T.M.G.; Eakman, J.M.; Yarbro, S.L.

    1997-01-01

    A group contribution technique is proposed to predict the coefficients in the heat capacity correlation, C{sub p} = a + bT + c/T{sup 2} + dT{sup 2}, for solid inorganic salts. The results from this work are compared with fits to experimental data from the literature. It is shown to give good predictions for both simple and complex solid inorganic salts. Literature heat capacities for a large number (664) of solid inorganic salts covering a broad range of cations (129), anions (17) and ligands (2) have been used in regressions to obtain group contributions for the parameters in the heat capacity temperature function. A mean error of 3.18% is found when predicted values are compared with literature values for heat capacity at 298{degrees} K. Estimates of the error standard deviation from the regression for each additivity constant are also determined.

  9. Solvation thermodynamics and heat capacity of polar and charged solutes in water.

    PubMed

    Sedlmeier, Felix; Netz, Roland R

    2013-03-21

    The solvation thermodynamics and in particular the solvation heat capacity of polar and charged solutes in water is studied using atomistic molecular dynamics simulations. As ionic solutes we consider a F(-) and a Na(+) ion, as an example for a polar molecule with vanishing net charge we take a SPC/E water molecule. The partial charges of all three solutes are varied in a wide range by a scaling factor. Using a recently introduced method for the accurate determination of the solvation free energy of polar solutes, we determine the free energy, entropy, enthalpy, and heat capacity of the three different solutes as a function of temperature and partial solute charge. We find that the sum of the solvation heat capacities of the Na(+) and F(-) ions is negative, in agreement with experimental observations, but our results uncover a pronounced difference in the heat capacity between positively and negatively charged groups. While the solvation heat capacity ΔC(p) stays positive and even increases slightly upon charging the Na(+) ion, it decreases upon charging the F(-) ion and becomes negative beyond an ion charge of q = -0.3e. On the other hand, the heat capacity of the overall charge-neutral polar solute derived from a SPC/E water molecule is positive for all charge scaling factors considered by us. This means that the heat capacity of a wide class of polar solutes with vanishing net charge is positive. The common ascription of negative heat capacities to polar chemical groups might arise from the neglect of non-additive interaction effects between polar and apolar groups. The reason behind this non-additivity is suggested to be related to the second solvation shell that significantly affects the solvation thermodynamics and due to its large spatial extent induces quite long-ranged interactions between solvated molecular parts and groups.

  10. Solvation thermodynamics and heat capacity of polar and charged solutes in water

    SciTech Connect

    Sedlmeier, Felix; Netz, Roland R.

    2013-03-21

    The solvation thermodynamics and in particular the solvation heat capacity of polar and charged solutes in water is studied using atomistic molecular dynamics simulations. As ionic solutes we consider a F{sup -} and a Na{sup +} ion, as an example for a polar molecule with vanishing net charge we take a SPC/E water molecule. The partial charges of all three solutes are varied in a wide range by a scaling factor. Using a recently introduced method for the accurate determination of the solvation free energy of polar solutes, we determine the free energy, entropy, enthalpy, and heat capacity of the three different solutes as a function of temperature and partial solute charge. We find that the sum of the solvation heat capacities of the Na{sup +} and F{sup -} ions is negative, in agreement with experimental observations, but our results uncover a pronounced difference in the heat capacity between positively and negatively charged groups. While the solvation heat capacity {Delta}C{sub p} stays positive and even increases slightly upon charging the Na{sup +} ion, it decreases upon charging the F{sup -} ion and becomes negative beyond an ion charge of q=-0.3e. On the other hand, the heat capacity of the overall charge-neutral polar solute derived from a SPC/E water molecule is positive for all charge scaling factors considered by us. This means that the heat capacity of a wide class of polar solutes with vanishing net charge is positive. The common ascription of negative heat capacities to polar chemical groups might arise from the neglect of non-additive interaction effects between polar and apolar groups. The reason behind this non-additivity is suggested to be related to the second solvation shell that significantly affects the solvation thermodynamics and due to its large spatial extent induces quite long-ranged interactions between solvated molecular parts and groups.

  11. Solvation thermodynamics and heat capacity of polar and charged solutes in water

    NASA Astrophysics Data System (ADS)

    Sedlmeier, Felix; Netz, Roland R.

    2013-03-01

    The solvation thermodynamics and in particular the solvation heat capacity of polar and charged solutes in water is studied using atomistic molecular dynamics simulations. As ionic solutes we consider a F- and a Na+ ion, as an example for a polar molecule with vanishing net charge we take a SPC/E water molecule. The partial charges of all three solutes are varied in a wide range by a scaling factor. Using a recently introduced method for the accurate determination of the solvation free energy of polar solutes, we determine the free energy, entropy, enthalpy, and heat capacity of the three different solutes as a function of temperature and partial solute charge. We find that the sum of the solvation heat capacities of the Na+ and F- ions is negative, in agreement with experimental observations, but our results uncover a pronounced difference in the heat capacity between positively and negatively charged groups. While the solvation heat capacity ΔCp stays positive and even increases slightly upon charging the Na+ ion, it decreases upon charging the F- ion and becomes negative beyond an ion charge of q = -0.3e. On the other hand, the heat capacity of the overall charge-neutral polar solute derived from a SPC/E water molecule is positive for all charge scaling factors considered by us. This means that the heat capacity of a wide class of polar solutes with vanishing net charge is positive. The common ascription of negative heat capacities to polar chemical groups might arise from the neglect of non-additive interaction effects between polar and apolar groups. The reason behind this non-additivity is suggested to be related to the second solvation shell that significantly affects the solvation thermodynamics and due to its large spatial extent induces quite long-ranged interactions between solvated molecular parts and groups.

  12. Ambient heat capacities and entropies of ionic solids: a unique view using the Debye equation.

    PubMed

    Glasser, Leslie

    2013-06-01

    Entropies of solids are obtained experimentally as integrals of measured heat capacities over the temperature range from zero to ambient. Correspondingly, the Debye phonon distribution equation for solids provides a theoretical connection between these two chemical thermodynamic measures. We examine how the widely applicable Debye equation illuminates the relation between the corresponding experimental measures using more than 250 ionic solids. Estimation of heat capacities for simple ionic solids by the Dulong-Petit heat capacity limit, by the Neumann-Kopp elemental sum, and by the ion sum method is examined in relation to the Debye equation. We note that, and explain why, the ambient temperature heat capacities and entropies of ionic solids are found to be approximately equal, and how deviations from equality may be related to the Debye temperature, ΘD, which characterizes the Debye equation. It is also demonstrated that Debye temperatures may be readily estimated from the experimental ratio of ambient heat capacity to entropy, C(p)/S(p), rather than requiring resort to elaborate theoretical or experimental procedures for their determination. Correspondingly, ambient mineral entropies and heat capacities are linearly correlated and may thus be readily estimated from one another.

  13. Studying the allosteric energy cycle by isothermal titration calorimetry.

    PubMed

    Martinez-Julvez, Marta; Abian, Olga; Vega, Sonia; Medina, Milagros; Velazquez-Campoy, Adrian

    2012-01-01

    Isothermal titration calorimetry (ITC) is a powerful biophysical technique which allows a complete thermodynamic characterization of protein interactions with other molecules. The possibility of dissecting the Gibbs energy of interaction into its enthalpic and entropic contributions, as well as the detailed additional information experimentally accessible on the intermolecular interactions (stoichiometry, cooperativity, heat capacity changes, and coupled equilibria), make ITC a suitable technique for studying allosteric interactions in proteins. Two experimental methodologies for the characterization of allosteric heterotropic ligand interactions by ITC are described in this chapter, illustrated with two proteins with markedly different structural and functional features: a photosynthetic electron transfer protein and a drug target viral protease.

  14. Thermodynamic Properties at Saturation Derived from Experimental Two-Phase Isochoric Heat Capacity of 1-Hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide

    NASA Astrophysics Data System (ADS)

    Polikhronidi, Nikolai G.; Batyrova, Rabiyat G.; Abdulagatov, Ilmutdin M.; Magee, Joseph W.; Wu, Jiangtao

    2016-11-01

    New measurements are reported for the isochoric heat capacity of the ionic liquid substance 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([C6mim][NTf2]). These measurements extend the ranges of our earlier study (Polikhronidi et al. in Phys Chem Liq 52:657, 2014) by 5 % of the compressed liquid density and by 75 K. An adiabatic calorimeter was used to measure one-phase (C_{V1}) liquid and two-phase (C_{V2}) liquid + vapor isochoric heat capacities, densities (ρ _s), and phase-transition temperatures (T_s) of the ionic liquid (IL) substance. The combined expanded uncertainty of the density ρ and isochoric heat capacity C_V measurements at the 95 % confidence level with a coverage factor of k = 2 is estimated to be 0.15 % and 3 %, respectively. Measurements are concentrated in the immediate vicinity of the liquid + vapor phase-transition curve, in order to closely observe phase transitions. The present measurements and those of our earlier study are analyzed together and are presented in terms of thermodynamic properties (T_s, ρ _s, C_{V1} and C_{V2}) evaluated at saturation and in terms of key-derived thermodynamic properties C_P, C_S, W_S^' }}, K_{TS}^' }}, ( {partial P/partial T} ) V^' }, and ( {partial V/partial T} ) _{P}^' }) on the liquid + vapor phase-transition curve. A thermodynamic relation by Yang and Yang is used to confirm the internal consistency of measured two-phase heat capacities C_{V2} , which are observed to fall perfectly on a line as a function of specific volume at a constant temperature. The observed linear behavior is exploited to evaluate contributions to the quantity C_{V2} = f(V, T) from chemical potential C_{{Vμ}} =-Td^{{2}}μ /dT2 and from vapor pressure C_{VP} =VTd2PS /dT2. The physical nature and specific details of the temperature and specific volume dependence of the two-phase isochoric heat capacity and some features of the other derived thermodynamic properties of IL at liquid saturation curve are considered

  15. GUVs melt like LUVs: the large heat capacity of MLVs is not due to large size or small curvature.

    PubMed

    Kreutzberger, Mark A; Tejada, Emmanuel; Wang, Ying; Almeida, Paulo F

    2015-06-01

    The excess heat capacity functions (ΔCp) associated with the main phase transition of large unilamellar vesicles (LUVs) and multilamellar vesicles (MLVs) are very different. Two explanations are possible. First, the difference in vesicle size (curvature) results in different gel-fluid interactions in the membrane; those interactions have a large effect on the cooperativity of the phase transition. Second, there is communication between the bilayers in an MLV when they undergo the gel-fluid transition; this communication results in thermodynamic coupling of the phase transitions of the bilayers in the MLV and, consequently, in an apparent increase in the cooperativity of the transition. To test these hypotheses, differential scanning calorimetry was performed on giant unilamellar vesicles (GUVs) of pure dipalmitoylphosphatidylcholine. The ΔCp curve of GUVs was found to resemble that of the much smaller LUVs. The transition in GUVs and LUVs is much broader (half-width ∼1.5°C) than in MLVs (∼0.1°C). This similarity in GUVs and LUVs indicates that their size has little effect on gel-fluid interactions in the phase transition. The result suggests that coupling between the transitions in the bilayers of an MLV is responsible for their apparent higher cooperativity in melting.

  16. Ultrafast demagnetization of FePt:Cu thin films and the role of magnetic heat capacity

    NASA Astrophysics Data System (ADS)

    Kimling, Johannes; Kimling, Judith; Wilson, R. B.; Hebler, Birgit; Albrecht, Manfred; Cahill, David G.

    2014-12-01

    The phenomenon of different time scales of ultrafast demagnetization has attracted much attention. This so-called diversity of ultrafast demagnetization has been explained by the microscopic three temperature model (M3TM) and by the Landau-Lifshitz-Bloch model (LLBM). Here, we revisit the basic three temperature model (3TM) and provide a general criterion for explaining the different time scales observed. We focus on the role of magnetic heat capacity, which we find mainly determines the slowing down of the demagnetization time with increasing ambient temperature and laser fluence. In this context, we clarify the role of magnetic heat capacity in the M3TM and compare the 3TM with the LLBM. To illustrate the role of magnetic heat capacity, we present a simulation of ultrafast demagnetization of Ni. Furthermore, we present time-resolved magneto-optic Kerr effect measurements of ultrafast demagnetization and specific heat of Fe46Cu6Pt48 from 300 K to close to its Curie temperature. While most of the prior experimental research used high-fluence laser pulses causing sizable temperature excursions of the sample, our experiments involve small temperature excursions, which are crucial for studying the role of magnetic heat capacity in ultrafast demagnetization. Our experimental results corroborate that the slowing down of ultrafast demagnetization is dominated by the increase of the magnetic heat capacity near the Curie temperature.

  17. Calorimetry for the SSC

    SciTech Connect

    Gordon, H.A.; Grannis, P.D.

    1984-01-01

    The activities related to calorimetry at Snowmass took place in three main areas. These were: (1) The performance criteria for SSC calorimetry, including the requirements on hermeticity, shower containment, segmentation and time resolution. The use of calorimetric means of particle identification was studied. (2) The study of triggering methods using calorimeter energy, angle and timing information. (3) A review of a wide variety of calorimeter materials for absorber and sampling, as well as several means of obtaining the readout of the energy deposits. 48 references, 10 figures, 1 table.

  18. Low-temperature molar heat capacities and entropies of MnO2 (pyrolusite), Mn3O4 (hausmanite), and Mn2O3 (bixbyite)

    USGS Publications Warehouse

    Robie, R.A.; Hemingway, B.S.

    1985-01-01

    Pyrolusite (MnO2), hausmanite (Mn3O4), and bixbyite (Mn2O3), are important ore minerals of manganese and accurate values for their thermodynamic properties are desirable to understand better the {p(O2), T} conditions of their formation. To provide accurate values for the entropies of these important manganese minerals, we have measured their heat capacities between approximately 5 and 380 K using a fully automatic adiabatically-shielded calorimeter. All three minerals are paramagnetic above 100 K and become antiferromagnetic or ferrimagnetic at lower temperatures. This transition is expressed by a sharp ??-type anomaly in Cpmo for each compound with Ne??el temperatures TN of (92.2??0.2), (43.1??0.2), and (79.45??0.05) K for MnO2, Mn3O4, and Mn2O3, respectively. In addition, at T ??? 308 K, Mn2O3 undergoes a crystallographic transition, from orthorhombic (at low temperatures) to cubic. A significant thermal effect is associated with this change. Hausmanite is ferrimagnetic below TN and in addition to the normal ??-shape of the heat-capacity maxima in MnO2 and Mn2O3, it has a second rounded maximum at 40.5 K. The origin of this subsidiary bump in the heat capacity is unknown but may be related to a similar "anomalous bump" in the curve of magnetization against temperature at about 39 K observed by Dwight and Menyuk.(1) At 298.15 K the standard molar entropies of MnO2, Mn3O4, and Mn2O3, are (52.75??0.07), (164.1??0.2), and (113.7??0.2) J??K-1??mol-1, respectively. Our value for Mn3O4 is greater than that adopted in the National Bureau of Standards tables(2) by 14 per cent. ?? 1985.

  19. GENERAL: Low-temperature heat capacities and standard molar enthalpy of formation of 4-(2-aminoethyl)-phenol (C8H11NO)

    NASA Astrophysics Data System (ADS)

    Di, You-Ying; Kong, Yu-Xia; Yang, Wei-Wei; Tan, Zhi-Cheng

    2008-09-01

    This paper reports that low-temperature heat capacities of 4-(2-aminoethyl)-phenol (C8H11NO) are measured by a precision automated adiabatic calorimeter over the temperature range from 78 to 400 K. A polynomial equation of heat capacities as a function of the temperature was fitted by the least square method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at the interval of 5 K. The energy equivalent, ɛcalor, of the oxygen-bomb combustion calorimeter has been determined from 0.68 g of NIST 39i benzoic acid to be ɛcalor = (14674.69±17.49)J.K-1. The constant-volume energy of combustion of the compound at T = 298.15 K was measured by a precision oxygen-bomb combustion calorimeter to be ΔcU = -(32374.25±12.93)J.g-1. The standard molar enthalpy of combustion for the compound was calculated to be ΔcHmominus = -(4445.47 ± 1.77) k. J · mol-1 according to the definition of enthalpy of combustion and other thermodynamic principles. Finally, the standard molar enthalpy of formation of the compound was derived to be ΔfHmominus(C8H11NO, s) = -(274.68 ± 2.06) kJ · mol-1, in accordance with Hess law.

  20. Bose-Einstein condensation and heat capacity of two-dimensional spin-polarized atomic hydrogen

    SciTech Connect

    Al-Sugheir, M. K.; Ghassib, H. B.; Awawdeh, M.

    2011-07-15

    The static fluctuation approximation (SFA) is used to study the condensate fraction and the specific heat capacity of finite two-dimensional spin-polarized atomic hydrogen. It is found that Bose-Einstein condensation occurs in this system. The transition temperature at different densities decreases as the number of particles of the system increases. At low density, a sharp peak in the specific heat capacity is observed at the transition temperature. On the other hand, as the density of the system increases, the transition temperature becomes no longer well-defined, and a hump is observed in the specific heat capacity around the transition temperature. A qualitative comparison of our results to published results for finite Bose systems shows good agreement.

  1. Debye temperature, thermal expansion, and heat capacity of TcC up to 100 GPa

    SciTech Connect

    Song, T.; Ma, Q.; Tian, J.H.; Liu, X.B.; Ouyang, Y.H.; Zhang, C.L.; Su, W.F.

    2015-01-15

    Highlights: • A number of thermodynamic properties of rocksalt TcC are investigated for the first time. • The quasi-harmonic Debye model is applied to take into account the thermal effect. • The pressure and temperature up to about 100 GPa and 3000 K, respectively. - Abstract: Debye temperature, thermal expansion coefficient, and heat capacity of ideal stoichiometric TcC in the rocksalt structure have been studied systematically by using ab initio plane-wave pseudopotential density functional theory method within the generalized gradient approximation. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the dependences of Debye temperature, thermal expansion coefficient, constant-volume heat capacity, and constant-pressure heat capacity on pressure and temperature are successfully predicted. All the thermodynamic properties of TcC with rocksalt phase have been predicted in the entire temperature range from 300 to 3000 K and pressure up to 100 GPa.

  2. High energy bursts from a solid state laser operated in the heat capacity limited regime

    DOEpatents

    Albrecht, Georg; George, E. Victor; Krupke, William F.; Sooy, Walter; Sutton, Steven B.

    1996-01-01

    High energy bursts are produced from a solid state laser operated in a heat capacity limited regime. Instead of cooling the laser, the active medium is thermally well isolated. As a result, the active medium will heat up until it reaches some maximum acceptable temperature. The waste heat is stored in the active medium itself. Therefore, the amount of energy the laser can put out during operation is proportional to its mass, the heat capacity of the active medium, and the temperature difference over which it is being operated. The high energy burst capacity of a heat capacity operated solid state laser, together with the absence of a heavy, power consuming steady state cooling system for the active medium, will make a variety of applications possible. Alternately, cooling takes place during a separate sequence when the laser is not operating. Industrial applications include new material working processes.

  3. Dependence of the isobaric specific heat capacity of water vapor on the pressure and temperature

    NASA Astrophysics Data System (ADS)

    Vestfálová, Magda; Šafařík, Pavel

    2016-03-01

    The fundamental base for the calculation of the thermodynamic properties of substances is the thermal equation of state and the dependence of some of the basic specific heat capacities on temperature. Dependence of isobaric specific heat capacity on the pressure can already be deduced from these relations. International standards of the properties of water and steam are based on the new scientific formulation IAPWS-95. The equation is in the form of Helmholtz dimensionless function with very much parameters. The aim of this paper is to design the simple dependence of the isobaric specific heat capacity of water vapor on the pressure and temperature in the range in which the steam occurs in the atmospheric moist air.

  4. High energy bursts from a solid state laser operated in the heat capacity limited regime

    DOEpatents

    Albrecht, G.; George, E.V.; Krupke, W.F.; Sooy, W.; Sutton, S.B.

    1996-06-11

    High energy bursts are produced from a solid state laser operated in a heat capacity limited regime. Instead of cooling the laser, the active medium is thermally well isolated. As a result, the active medium will heat up until it reaches some maximum acceptable temperature. The waste heat is stored in the active medium itself. Therefore, the amount of energy the laser can put out during operation is proportional to its mass, the heat capacity of the active medium, and the temperature difference over which it is being operated. The high energy burst capacity of a heat capacity operated solid state laser, together with the absence of a heavy, power consuming steady state cooling system for the active medium, will make a variety of applications possible. Alternately, cooling takes place during a separate sequence when the laser is not operating. Industrial applications include new material working processes. 5 figs.

  5. Heat capacities of solid polymers (The Advanced THermal Analysis System, ATHAS)

    SciTech Connect

    Wunderlich, B.

    1990-01-01

    The thermal properties of solid, linear macromolecules are accessible through heat capacity measurements from about 10 K to the glass transition. By measuring and collecting data on over 150 polymers, a data bank was established and used as a base for detailed correlation with an approximate frequency spectrum for the polymers. Besides assessment of the entropy at zero kelvin of disordered polymers, this heat capacity knowledge has helped in the elucidation of partial phase transitions and conformationally disordered crystal phases. A link has also been established to measurements of mobility through solid state nuclear magnetic resonance. Most recently heat capacity measurements have been linked to full dynamic simulations of crystal segments of 1900 chain atoms. Questions of disorder and anharmonicity can thus be analyzed. The work is summarized as the Advanced Thermal Analysis System, ATHAS. 27 refs., 26 figs.

  6. Salt materials testing for a spacecraft adiabatic demagnetization refrigerator

    NASA Astrophysics Data System (ADS)

    Savage, M. L.; Kittel, P.; Roellig, T.

    As part of a technology development effort to qualify adiabatic demagnetization refrigerators for use in a NASA spacecraft, such as the Space Infrared Telescope Facility, a study of low temperature characteristics, heat capacity and resistance to dehydration was conducted for different salt materials. This report includes results of testing with cerrous metaphosphate, several synthetic rubies, and chromic potassium alum (CPA). Preliminary results show that CPA may be suitable for long-term spacecraft use, provided that the salt is property encapsulated. Methods of salt pill construction and testing for all materials are discussed, as well as reliability tests. Also, the temperature regulation scheme and the test cryostat design are briefly discussed.

  7. Salt materials testing for a spacecraft adiabatic demagnetization refrigerator

    NASA Technical Reports Server (NTRS)

    Savage, M. L.; Kittel, P.; Roellig, T.

    1990-01-01

    As part of a technology development effort to qualify adiabatic demagnetization refrigerators for use in a NASA spacecraft, such as the Space Infrared Telescope Facility, a study of low temperature characteristics, heat capacity and resistance to dehydration was conducted for different salt materials. This report includes results of testing with cerrous metaphosphate, several synthetic rubies, and chromic potassium alum (CPA). Preliminary results show that CPA may be suitable for long-term spacecraft use, provided that the salt is property encapsulated. Methods of salt pill construction and testing for all materials are discussed, as well as reliability tests. Also, the temperature regulation scheme and the test cryostat design are briefly discussed.

  8. Heat Capacity of Superfluid (sup 4)He in the Presence of a Heat Current Near T

    NASA Technical Reports Server (NTRS)

    Chui, Talso C. P.; Goodstein, David L.; Harter, Alexa W.; Mukhopadhyay, Ranjan

    1996-01-01

    The thermodynamic theory of superfluid helium in the presence of a heat current is presented. We show that there is a thermodynamic relation between the heat capacity and the expression ps(W), which describes the depression of the superfluid density with the counterflow velocity W. Using this relation we show that the heat capacity of superfluid super4He in the presence of a heat current diverges at a depressed lambda transition temperature, suggesting the possibility of a new second order phase transition where the superfluid wave function is not the order parameter.

  9. High accuracy heat capacity measurements through the lambda transition of helium with very high temperature resolution

    NASA Technical Reports Server (NTRS)

    Fairbanks, W. M.; Lipa, J. A.

    1984-01-01

    A measurement of the heat capacity singularity of helium at the lambda transition was performed with the aim of improving tests of the Renormalization Group (RG) predictions for the static thermodynamic behavior near the singularity. The goal was to approach as closely as possible to the lambda-point while making heat capacity measurements of high accuracy. To do this, a new temperature sensor capable of unprecedented resolution near the lambda-point, and two thermal control systems were used. A short description of the theoretical background and motivation is given. The initial apparatus and results are also described.

  10. Investigations of temperature dependences of electrical resistivity and specific heat capacity of metals

    NASA Astrophysics Data System (ADS)

    Eser, Erhan; Koç, Hüseyin

    2016-07-01

    In this study, we calculated the electrical resistivity and heat capacities of some ideal metals (Cu, Pt, and Pd) using a method that it employs the statistical model and Debye functions. The method is used to provide a simple and reliable analytical procedure for wide temperature range. The results obtained for the electrical resistivity and heat capacity have been compared with the results in literature. The results obtained at low temperature are in excellent agreement with experimental and theoretical results. Finally the used approximation and analytical method are a useful approach to calculate thermophysical properties of metals.

  11. Correlation dependence of the volumetric thermal expansion coefficient of metallic aluminum on its heat capacity

    NASA Astrophysics Data System (ADS)

    Bodryakov, V. Yu.; Bykov, A. A.

    2016-05-01

    The correlation between the volumetric thermal expansion coefficient β( T) and the heat capacity C( T) of aluminum is considered in detail. It is shown that a clear correlation is observed in a significantly wider temperature range, up to the melting temperature of the metal, along with the low-temperature range where it is linear. The significant deviation of dependence β( C) from the low-temperature linear behavior is observed up to the point where the heat capacity achieves the classical Dulong-Petit limit of 3 R ( R is the universal gas constant).

  12. Isothermal and Adiabatic Measurements.

    ERIC Educational Resources Information Center

    McNairy, William W.

    1996-01-01

    Describes the working of the Adiabatic Gas Law Apparatus, a useful tool for measuring the pressure, temperature, and volume of a variety of gases undergoing compressions and expansions. Describes the adaptation of this apparatus to perform isothermal measurements and discusses the theory behind the adiabatic and isothermal processes. (JRH)

  13. Recommendations for accurate heat capacity measurements using a Quantum Design physical property measurement system

    NASA Astrophysics Data System (ADS)

    Kennedy, Catherine A.; Stancescu, Maria; Marriott, Robert A.; White, Mary Anne

    2007-02-01

    A commercial instrument for determination of heat capacities of solids from ca. 400 K to 0.4 K, the physical property measurement system from Quantum Design, has been used to determine the heat capacities of a standard samples (sapphire [single crystal] and copper). We extend previous tests of the PPMS in three important ways: to temperatures as low as 0.4 K; to samples with poor thermal conductivity; to compare uncertainty with accuracy. We find that the accuracy of heat capacity determinations can be within 1% for 5 K < T < 300 K and 5% for 0.7 K < T < 5 K. Careful attention should be paid to the relative uncertainty for each data point, as determined from multiple measurements. While we have found that it is possible in some circumstances to obtain excellent results by measurement of samples that contribute more than ca. 1/3 to the total heat capacity, there is no "ideal" sample mass and sample geometry also is an important consideration. In fact, our studies of pressed pellets of zirconium tungstate, a poor thermal conductor, show that several samples of different masses should be determined for the highest degree of certainty.

  14. Anomalies of low-temperature heat capacity in superconductors with twins

    SciTech Connect

    Gurevich, A.V.; Mints, R.G.

    1989-01-01

    Our earlier paper showed that superconductors with twins may give rise to metastable superconducting domains that differ by /pi/ in the phase of the order parameter. The antiphase domain wall(ADW) separating them contains a plane on which the superconducting gap /Delta/ vanishes. This paper discusses the contribution of electron states localized in ADW to the electron heat capacity C(T).

  15. Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures

    DOE PAGES

    Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; Mitroshenkov, N. V.; Kuznetsov, S. V.; Bud'ko, S. L.

    2015-07-20

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2–300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the summore » of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. As a result, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.« less

  16. The Determination of Heat Capacity Ratios in a Simple Open System

    ERIC Educational Resources Information Center

    Holden, Glen L.

    2007-01-01

    A virtually closed system is treated as open and compared to known results. The classic experiment of Clement and Desormes provides the conceptual framework for this open system approach in determining the molar heat capacity ratios, lambda. This alternate view, extends the theoretical treatment beyond the first law of thermodynamics for closed…

  17. Low-temperature heat capacity of fullerite C60 doped with deuteromethane

    NASA Astrophysics Data System (ADS)

    Bagatskii, M. I.; Sumarokov, V. V.; Dolbin, A. V.; Sundqvist, B.

    2012-01-01

    The heat capacity C of fullerite doped with deuteromethane (CD4)0.4(C60) has been investigated in the temperature interval 1.2-120 K. The contribution ΔCCD4 of the CD4 molecules to the heat capacity C has been isolated. It is shown that at T ≈ 120 K the rotational motion of CD4 molecules in the octahedral voids of the C60 lattice is weakly hindered. When the temperature is lowered to 80 K, the rotational motion of the CD4 molecules changes from weakly hindered rotation to libration. In the range T = 1.2-30 K, ΔCCD4 is described quite accurately by the sum of contributions from the translational and librational vibrations and tunneling rotation of CD4 molecules. The contribution of tunneling rotation to the heat capacity ΔCCD4(T) is dominant below 5 K. The effect of nuclear-spin conversion of the CD4 molecules on the heat capacity has been observed and the characteristic times for nuclear spin conversion between the lowest levels of the A- and T-species of CD4 molecules at T < 5 K have been estimated. A feature observed in ΔCCD4(T) near T = 5.5 K is most likely a manifestation of a first-order phase transition in the orientational glass form of the solution.

  18. Akermanite: phase transitions in heat capacity and thermal expansion, and revised thermodynamic data.

    USGS Publications Warehouse

    Hemingway, B.S.; Evans, H.T.; Nord, G.L.; Haselton, H.T.; Robie, R.A.; McGee, J.J.

    1986-01-01

    A small but sharp anomaly in the heat capacity of akermanite at 357.9 K, and a discontinuity in its thermal expansion at 693 K, as determined by XRD, have been found. The enthalpy and entropy assigned to the heat-capacity anomaly, for the purpose of tabulation, are 679 J/mol and 1.9 J/(mol.K), respectively. They were determined from the difference between the measured values of the heat capacity in the T interval 320-365 K and that obtained from an equation which fits the heat-capacity and heat-content data for akermanite from 290 to 1731 K. Heat-capacity measurements are reported for the T range from 9 to 995 K. The entropy and enthalpy of formation of akermanite at 298.15 K and 1 bar are 212.5 + or - 0.4 J/(mol.K) and -3864.5 + or - 4.0 kJ/mol, respectively. Weak satellite reflections have been observed in hk0 single-crystal X-ray precession photographs and electron-diffraction patterns of this material at room T. With in situ heating by TEM, the satellite reflections decreased significantly in intensity above 358 K and disappeared at about 580 K and, on cooling, reappeared. These observations suggest that the anomalies in the thermal behaviour of akermanite are associated with local displacements of Ca ions from the mirror plane (space group P421m) and accompanying distortion of the MgSi2O7 framework.-L.C.C.

  19. Recent developments in silicon calorimetry

    SciTech Connect

    Brau, J.E.

    1990-11-01

    We present a survey of some of the recent calorimeter applications of silicon detectors. The numerous attractive features of silicon detectors are summarized, with an emphasis on those aspects important to calorimetry. Several of the uses of this technology are summarized and referenced. We consider applications for electromagnetic calorimetry, hadronic calorimetry, and proposals for the SSC.

  20. Wireless adiabatic power transfer

    SciTech Connect

    Rangelov, A.A.; Suchowski, H.; Silberberg, Y.; Vitanov, N.V.

    2011-03-15

    Research Highlights: > Efficient and robust mid-range wireless energy transfer between two coils. > The adiabatic energy transfer is analogous to adiabatic passage in quantum optics. > Wireless energy transfer is insensitive to any resonant constraints. > Wireless energy transfer is insensitive to noise in the neighborhood of the coils. - Abstract: We propose a technique for efficient mid-range wireless power transfer between two coils, by adapting the process of adiabatic passage for a coherently driven two-state quantum system to the realm of wireless energy transfer. The proposed technique is shown to be robust to noise, resonant constraints, and other interferences that exist in the neighborhood of the coils.

  1. Low-Temperature Heat Capacities and Standard Molar Enthalpy of Formation of Dichloro Bis(2-aminopyridine) Zinc (II), ZnCl2(C5H6N2)2(s)

    NASA Astrophysics Data System (ADS)

    Dan, Wen-Yan; di, You-Ying; Liu, Yan-Juan; Kong, Yu-Xia; Tan, Zhi-Cheng

    2010-12-01

    Dichloro bis(2-aminopyridine) zinc (II), ZnCl2(C5H6N2)2(s), was synthesized by the method of solvonthermal synthesis in which 2-aminopyridine and zinc chloride were chosen as the reactants. X-ray crystallography, chemical analysis, and elemental analysis were applied to characterize the structure and composition of the complex. Low-temperature heat capacities of the title compound were measured with a precise small-sample automated adiabatic calorimeter over the temperature range from 78 K to 398 K. A polynomial equation of the heat capacities as a function of temperature was fitted by a least-squares method. Smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature (298.15 K) were calculated and tabulated at intervals of 5 K based on the fitted polynomial. A reasonable thermochemical cycle was designed, and the standard molar enthalpies of dissolution for the reactants and products of the synthesis reaction in a selected solvent were measured by an isoperibol solution-reaction calorimeter. In addition, the enthalpy change of the reaction was calculated from the data of the above standard molar enthalpies of dissolution. Finally, the standard molar enthalpy of formation of the complex ZnCl2(C5H6N2)2(s) was determined to be -(400.52 ± 1.66) kJ · mol-1 in accordance with Hess's law.

  2. Heat capacity of {sup 4}He in Vycor near the critical coverage

    SciTech Connect

    Van Keuls, F.W.; Crowell, P.A.; Reppy, J.D.

    1993-04-01

    The authors report heat capacity measurements of {sup 4}He films in Vycor near the critical coverage. The goal of these studies is to determine whether the low temperature phase at coverages below the onset of superfluidity is a glass or an insulator with a gap. The data cover a temperature range of 5 mK to 600 mK. At the lowest temperatures, a CMN DC-SQUID thermometer is used. This thermometer contains 3 mg of CMN to minimize its heat capacity. The sensitivity at 10 mK is better than 500 pK/{radical}Hz. The CMN powder is mixed with a Ag sinter to improve thermal conductivity. The resistance thermometers mounted on the cell are found to be reliable down to 14 mK.

  3. Phonon Mechanisms for Excess Heat Capacity in Membrane Isolated Superconducting Transition Edge Sensors

    NASA Technical Reports Server (NTRS)

    Chervenak, James A.

    2012-01-01

    The mechanics of phonon transport in membrane-isolated superconducting transition edge sensors is discussed. Surveys of the literature on this type of sensor reveal a number of designs with excess heat capacity and a smaller subset that exhibit decoupling of the superconducting film from the underlying dielectric. A simple model is addressed in which the membrane, despite its thermal isolation, fails to fully thermalize to the temperature of the metal film heating it. A population of phonons exists which is emitted by the metal film, partially thermalizes the dielectric and is then reabsorbed in the metal film without escaping from the device structure to the thermal bath. The size of this population and its contribution to the heat capacity are estimated for several device scenarios.

  4. High-temperature heat capacity of Co3O4 spinel: thermally induced spin unpairing transition

    USGS Publications Warehouse

    Mocala, K.; Navrotsky, A.; Sherman, David M.

    1992-01-01

    A strong anomaly was found in the heat capacity of Co3O4 between 1000 K and the decomposition temperature. This anomaly is not related to the decomposition of Co3O4 to CoO. The measured entropy of transition, ??S=46??4 J mol-1 K-1 of Co3O4, supports the interpretation that this anomaly reflects a spin unpairing transition in octahedrally coordinated Co3+ cations. Experimental values of heat capacity, heat content and entropy of Co3O4 in the high temperature region are provided. The enthalpy of the spin unpairing transition is 53??4 kJ mol-1 of Co3O4. ?? 1992 Springer-Verlag.

  5. Isobaric Heat Capacity, Isothermal Compressibility and Fluctuational Properties of 1-Bromoalkanes

    NASA Astrophysics Data System (ADS)

    Korotkovskii, V. I.; Ryshkova, O. S.; Neruchev, Yu. A.; Goncharov, A. L.; Postnikov, E. B.

    2016-06-01

    We present results of the experimental measurements of the isobaric heat capacity for 1-bromohexane, 1-bromoheptane, 1-bromooctane, 1-bromononane, 1-bromodecane, 1-bromoundecane, 1-bromododecane and 1-bromotetradecane at normal pressure and the speed of sound and the density for 1-bromotetradecane within the temperature range 298.15-423.15 K. These data on the isobaric heat capacity and the literature-based reference data for the density and the speed of sound were used to calculate the isothermal compressibility and the inverse reduced fluctuations. Based on the comparison of the results for pure n-alkanes and α ,ω -dibromoalkanes, we discuss the influence of bromine atom on the volume fluctuations.

  6. Vibrational Spectra and Heat Capacity of Methane, and the Speed of Sound

    NASA Astrophysics Data System (ADS)

    Tennis, Ronald; Bailey, Ryan; Henderson, Giles

    2000-12-01

    A two-part physical chemistry laboratory experiment is described in which students evaluate statistical mechanical theory by comparing a measured speed of sound and heat capacity with values predicted from vibrational spectra. In part 1 students measure the IR spectrum of CH4(g) and the Raman spectrum of CH4(l) to determine quantized vibrational energy spacings. Strong Raman scattering of a pulsed nitrogen laser beam is observed with a liquid methane sample in a custom cryogenic cell constructed from two side-arm test tubes and a length of Pyrex tube. These data are used with the statistical mechanics of a harmonic oscillator to calculate vibrational heat capacities and CP/CV; of CH4(g) and the speed of sound in CH4(g). In part 2, the predicted speed of sound is compared with an experimental value measured with a simple acoustic resonance cavity (Kundt's tube) exhausted to a Bunsen burner.

  7. Low-Temperature Heat Capacity and Localized Vibrational Modes in Natural and Synthetic Tetrahedrites

    SciTech Connect

    Lara-Curzio, Edgar; May, Andrew F; Delaire, Olivier A; McGuire, Michael A; Lu, Xu; Li, Cheng-Yun; Case, Eldon D; Morelli, Donold

    2014-01-01

    The heat capacity of natural (Cu12-x (Fe, Zn, Ag)x(Sb, As)4S13) and synthetic (Cu12-xZnxSb4S13 with x=0, 1, 2) tetrahedrite compounds was measured between 2K and 380K. It was found that the temperature dependence of the heat capacity can be described using a Debye term and three Einstein oscillators with characteristic temperatures that correspond to energies of ~1.0 meV, ~2.8 meV and ~8.4 meV. The existence of localized vibration modes, which are assigned to the displacements of the trigonally coordinated Cu atoms in the structure, is discussed in the context of anharmonicity and its effect on the low lattice thermal conductivity exhibited by these compounds.

  8. Dynamic heat capacity of the east model and of a bead-spring polymer model.

    SciTech Connect

    McCoy, John Dwane; Brown, Jonathan R.; Adolf, Douglas Brian

    2011-10-01

    In this report we have presented a brief review of the glass transition and one means of characterizing glassy materials: linear and nonlinear thermodynamic oscillatory experiments to extract the dynamic heat capacity. We have applied these methods to the east model (a variation of the Ising model for glass forming systems) and a simple polymeric system via molecular dynamics simulation, and our results match what is seen in experiment. For the east model, since the dynamics are so simple, a mathematical model is developed that matches the simulated dynamics. For the polymeric system, since the system is a simulation, we can instantaneously 'quench' the system - removing all vibrational energy - to separate the vibrational dynamics from dynamics associated with particle rearrangements. This shows that the long-time glassy dynamics are due entirely to the particle rearrangements, i.e. basin jumping on the potential energy landscape. Finally, we present an extension of linear dynamic heat capacity to the nonlinear regime.

  9. Relationship between physico-chemical properties of magnetic fluids and their heating capacity.

    PubMed

    Salas, Gorka; Veintemillas-Verdaguer, Sabino; Morales, Maria del Puerto

    2013-12-01

    The final goal in magnetic hyperthermia research is to use nanoparticles in the form of a colloidal suspension injected into human beings for a therapeutic application. Therefore the challenge is not only to develop magnetic nanoparticles with good heating capacities, but also with good colloidal properties, long blood circulation time and with grafted ligands able to facilitate their specific internalisation in tumour cells. Significant advances have been achieved optimising the properties of the magnetic nanoparticles, showing extremely large specific absorption rate values that will contribute to a reduction in the concentration of the magnetic fluid that needs to be administered. In this review we show the effect of different characteristics of the magnetic particles, such as size, size distribution and shape, and the colloidal properties of their aqueous suspensions, such as hydrodynamic size and surface modification, on the heating capacity of the magnetic colloids.

  10. Landau-Placzek ratio for heat density dynamics and its application to heat capacity of liquids.

    PubMed

    Bryk, Taras; Ruocco, Giancarlo; Scopigno, Tullio

    2013-01-21

    Exact relation for contributions to heat capacity of liquids is obtained from hydrodynamic theory. It is shown from analysis of the long-wavelength limit of heat density autocorrelation functions that the heat capacity of simple liquids is represented as a sum of two contributions due to "phonon-like" collective excitations and heat relaxation. The ratio of both contributions being the analogy of Landau-Placzek ratio for heat processes depends on the specific heats ratio. The theory of heat density autocorrelation functions in liquids is verified by computer simulations. Molecular dynamics simulations for six liquids having the ratio of specific heats γ in the range 1.1-2.3, were used for evaluation of the heat density autocorrelation functions and predicted Landau-Placzek ratio for heat processes. The dependence of contributions from collective excitations and heat relaxation process to specific heat on γ is shown to be in excellent agreement with the theory.

  11. Changes in molar volume and heat capacity of actin upon polymerization.

    PubMed Central

    Quirion, F; Gicquaud, C

    1993-01-01

    We have used densimetry and microcalorimetry to measure the changes in molar volume and heat capacity of the actin molecule during Mg(2+)-induced polymerization. Molar volume is decreased by 720 ml/mol. This result is in contradiction with previous measurements by Ikkai and Ooi [(1966) Science 152, 1756-1757], and by Swezey and Somero [(1985) Biochemistry 24, 852-860]: both of these groups reported increases in actin volume during polymerization, of 391 ml/mol and 63 ml/mol respectively. We also observed a decrease in heat capacity of about 69.5 kJ.K-1.mol-1 during polymerization. This is in agreement with the concept of conformational fluctuation of proteins proposed by Lumry and Gregory [(1989) J.Mol. Liq. 42, 113-144]whereby either ligand binding by a protein or monomer-monomer interaction decreases the protein's conformational flexibility. PMID:8240275

  12. Magnetic susceptibility and heat capacity of graphene in two-band Harrison model

    NASA Astrophysics Data System (ADS)

    Mousavi, Hamze; Bagheri, Mehran; Khodadadi, Jabbar

    2015-11-01

    Using a two-band tight-binding Harrison model and Green's function technique, the influences of both localized σ and delocalized π electrons on the density of states, the Pauli paramagnetic susceptibility, and the heat capacity of a graphene sheet are investigated. We witness an extension in the bandwidth and an increase in the number of Van-Hove singularities as well. As a notable point, besides the magnetic nature which includes diamagnetism in graphene-based nanosystems, a paramagnetic behavior associated with the itinerant π electrons could be occurred. Further, we report a Schottky anomaly in the heat capacity. This study asserts that the contribution of both σ and π electrons play dominant roles in the mentioned physical quantities.

  13. Parallelizable adiabatic gate teleportation

    NASA Astrophysics Data System (ADS)

    Nakago, Kosuke; Hajdušek, Michal; Nakayama, Shojun; Murao, Mio

    2015-12-01

    To investigate how a temporally ordered gate sequence can be parallelized in adiabatic implementations of quantum computation, we modify adiabatic gate teleportation, a model of quantum computation proposed by Bacon and Flammia [Phys. Rev. Lett. 103, 120504 (2009), 10.1103/PhysRevLett.103.120504], to a form deterministically simulating parallelized gate teleportation, which is achievable only by postselection. We introduce a twisted Heisenberg-type interaction Hamiltonian, a Heisenberg-type spin interaction where the coordinates of the second qubit are twisted according to a unitary gate. We develop parallelizable adiabatic gate teleportation (PAGT) where a sequence of unitary gates is performed in a single step of the adiabatic process. In PAGT, numeric calculations suggest the necessary time for the adiabatic evolution implementing a sequence of L unitary gates increases at most as O (L5) . However, we show that it has the interesting property that it can map the temporal order of gates to the spatial order of interactions specified by the final Hamiltonian. Using this property, we present a controlled-PAGT scheme to manipulate the order of gates by a control qubit. In the controlled-PAGT scheme, two differently ordered sequential unitary gates F G and G F are coherently performed depending on the state of a control qubit by simultaneously applying the twisted Heisenberg-type interaction Hamiltonians implementing unitary gates F and G . We investigate why the twisted Heisenberg-type interaction Hamiltonian allows PAGT. We show that the twisted Heisenberg-type interaction Hamiltonian has an ability to perform a transposed unitary gate by just modifying the space ordering of the final Hamiltonian implementing a unitary gate in adiabatic gate teleportation. The dynamics generated by the time-reversed Hamiltonian represented by the transposed unitary gate enables deterministic simulation of a postselected event of parallelized gate teleportation in adiabatic

  14. Low temperature heat capacity of permanently densified SiO2 glasses

    NASA Astrophysics Data System (ADS)

    Carini, Giovanni; Carini, Giuseppe; Cosio, Daniele; D'Angelo, Giovanna; Rossi, Flavio

    2016-03-01

    A study of low temperature specific heat capacity (1-30 K) has been performed on samples of vitreous SiO2, which have been compacted under pressures up to 8 GPa to explore different glassy phases having growing density. Increasing densification by more than 21% leads to a progressive reduction of the specific heat capacity Cp and to a shift from 10 K up to about 17 K of the broad hump, the calorimetric Boson peak (BP), observed above 1 K in a Cp(T)/T3 vs. T plot. The revealed changes are not accounted for by the modifications of the elastic continuum, implying a nature of additional vibrations at variance with the extended sound waves. Increasing atomic packing of the glassy network leads to a progressively decreasing excess heat capacity over that of α-quartz, a crystalline polymorph of SiO2. By using the low-frequency Raman intensity measured in these glasses to determine the temperature dependence of the low temperature heat capacity, it has been evaluated the density of low-frequency vibrational states. The observations are compared with some theoretical pictures explaining the nature of the BP, disclosing qualitative agreement with the predictions of the Soft Potential Model and the results of a simulation study concerning the vibrations of jammed particles. This finding leads to evaluate a nanometer length scale which suggests the existence of poorly packed domains formed from several n-membered rings involving SiO4 tetrahedra. These soft regions are believed to be the main source of low-frequency vibrations giving rise to the BP.

  15. Heat capacity and thermal expansion of icosahedral lutetium boride LuB66

    SciTech Connect

    Novikov, V V; Avdashchenko, D V; Matovnikov, A V; Mitroshenkov, N V; Bud’ko, S L

    2014-01-07

    The experimental values of heat capacity and thermal expansion for lutetium boride LuB66 in the temperature range of 2-300 K were analysed in the Debye-Einstein approximation. It was found that the vibration of the boron sub-lattice can be considered within the Debye model with high characteristic temperatures; low-frequency vibration of weakly connected metal atoms is described by the Einstein model.

  16. Reduction in thermal conductivity and tunable heat capacity of inorganic/organic hybrid superlattices

    NASA Astrophysics Data System (ADS)

    Giri, Ashutosh; Niemelä, Janne-Petteri; Szwejkowski, Chester J.; Karppinen, Maarit; Hopkins, Patrick E.

    2016-01-01

    We study the influence of molecular monolayers on the thermal conductivities and heat capacities of hybrid inorganic/organic superlattice thin films fabricated via atomic/molecular layer deposition. We measure the cross plane thermal conductivities and volumetric heat capacities of TiO2- and ZnO-based superlattices with periodic inclusion of hydroquinone layers via time domain thermoreflectance. In comparison to their homogeneous counterparts, the thermal conductivities in these superlattice films are considerably reduced. We attribute this reduction in the thermal conductivity mainly due to incoherent phonon boundary scattering at the inorganic/organic interface. Increasing the inorganic/organic interface density reduces the thermal conductivity and heat capacity of these films. High-temperature annealing treatment of the superlattices results in a change in the orientation of the hydroquinone molecules to a 2D graphitic layer along with a change in the overall density of the hybrid superlattice. The thermal conductivity of the hybrid superlattice increases after annealing, which we attribute to an increase in crystallinity.

  17. Calorimetric studies of the heat capacity and relaxation of amorphous Si prepared by electron beam evaporation

    NASA Astrophysics Data System (ADS)

    Tsang, K. H.; Kui, H. W.; Chik, K. P.

    1993-10-01

    The heat capacity of a-Si thin film prepared by electron beam evaporation method was measured from 360 to 820 K by a differential scanning calorimeter. For the as-prepared a-Si specimen, two novel irreversible endothermic processes and one irreversible broad exothermic reaction were found. The origins of the endothermic reactions were not known. It is suggested that they may be caused by a change in the number and distribution of voids that occurs at approximately 465 K and the creation of dangling bonds at the higher temperature regime (≳620 K). The exothermic reaction is attributed to heat release during structural relaxation. When measuring the heat capacity of a-Si, Ca-Sip, these irreversible reactions were first eliminated by annealing the specimens at high temperatures. The heat capacity of crystalline Si, Cc-Sip, was also measured and the difference, ΔCSip=Ca-Sip -Cc-Sip, was used to evaluate the thermodynamic melting temperature of the a-Si, Tal, which is determined to be 1400 K.

  18. Heat capacity measurements of sub-nanoliter volumes of liquids using bimaterial microchannel cantilevers

    NASA Astrophysics Data System (ADS)

    Khan, M. F.; Miriyala, N.; Lee, J.; Hassanpourfard, M.; Kumar, A.; Thundat, T.

    2016-05-01

    Lab-on-a-Chip compatible techniques for thermal characterization of miniaturized volumes of liquid analytes are necessary in applications such as protein blotting, DNA melting, and drug development, where samples are either rare or volume-limited. We developed a closed-chamber calorimeter based on a bimaterial microchannel cantilever (BMC) for sub-nanoliter level thermal analysis. When the liquid-filled BMC is irradiated with infrared (IR) light at a specific wavelength, the IR absorption by the liquid analyte results in localized heat generation and the subsequent deflection of the BMC, due to a thermal expansion mismatch between the constituent materials. The time constant of the deflection, which is dependent upon the heat capacity of the liquid analyte, can be directly measured by recording the time-dependent bending of the BMC. We have used the BMC to quantitatively measure the heat capacity of five volatile organic compounds. With a deflection noise level of ˜10 nm and a signal-to-noise ratio of 68:1, the BMC offers a sensitivity of 30.5 ms/(J g-1 K-1) and a resolution of 23 mJ/(g K) for ˜150 pl liquid for heat capacity measurements. This technique can be used for small-scale thermal characterization of different chemical and biological samples.

  19. Prevalence of temperature-dependent heat capacity changes in protein-DNA interactions.

    PubMed

    Liu, Chin-Chi; Richard, Allison J; Datta, Kausiki; LiCata, Vince J

    2008-04-15

    A large, negative DeltaCp of DNA binding is a thermodynamic property of the majority of sequence-specific DNA-protein interactions, and a common, but not universal property of non-sequence-specific DNA binding. In a recent study of the binding of Taq polymerase to DNA, we showed that both the full-length polymerase and its "Klentaq" large fragment bind to primed-template DNA with significant negative heat capacities. Herein, we have extended this analysis by analyzing this data for temperature-variable heat capacity effects (DeltaDeltaCp), and have similarly analyzed an additional 47 protein-DNA binding pairs from the scientific literature. Over half of the systems examined can be easily fit to a function that includes a DeltaDeltaCp parameter. Of these, 90% display negative DeltaDeltaCp values, with the result that the DeltaCp of DNA binding will become more negative with rising temperature. The results of this collective analysis have potentially significant consequences for current quantitative theories relating DeltaCp values to changes in accessible surface area, which rely on the assumption of temperature invariance of the DeltaCp of binding. Solution structural data for Klentaq polymerase demonstrate that the observed heat capacity effects are not the result of a coupled folding event.

  20. Inverse Identification of Temperature-Dependent Volumetric Heat Capacity by Neural Networks

    NASA Astrophysics Data System (ADS)

    Czél, Balázs; Woodbury, Keith A.; Gróf, Gyula

    2013-02-01

    An artificial neural network (NN)-based solution of the inverse heat conduction problem of identifying the temperature-dependent volumetric heat capacity function of a solid material is presented in this paper. The inverse problem was defined according to the evaluation of the BICOND thermophysical property measurement method. The volumetric heat capacity versus temperature function is to be determined using the measured transient temperature history of a single sensor. In this study, noiseless and noisy artificial measurements were generated by the numerical solution of the corresponding direct heat conduction problem. The inverse problem was solved by back-propagation and radial basis function type neural networks applying the whole history mapping approach. The numerical tests included the comparison of two different data representations of the network inputs (i.e., temperature vs. time and time vs. temperature) and accuracy analysis of the two network types with noiseless and noisy inputs. Based on the results presented, it can be stated that feed-forward NNs are powerful tools in a non-iterative solution of function estimation inverse heat conduction problems and they are likely to be very effective in evaluation of real measured temperature histories to determine the volumetric heat capacity as an arbitrary function of temperature.

  1. Modeling the heat capacities of aqueous 1-1 electrolyte solutions with Pitzer`s equations

    SciTech Connect

    Criss, C.M.; Millero, F.J.

    1996-01-25

    The apparent molal heat capacities {phi}{sub Cp} of 1-1 electrolytes at 25{degree}C have been fitted to the Pitzer equation, {phi}{sub Cp}=C{sub p,2}{degree}+(A{sub J}/1.2)ln(1+ 1.2I{1/2})-2RT{sup 2}[mB{sup J}{sub MX}+m{sup 2} C{sup J}{sub MX}], where C{sub p,2}{degree} is the partial molal heat capacity of at infinite dilution and B{sup J}{sub MX} and C{sup J}{sub MX} are empirical constants related to ion-ion interactions. The values of C{sub p,2}{degree} of the electrolytes have been used to determine partial molal heat capacities of ions. The coefficients B{sup J}{sub MX} and C{sup J}{sub MX} have been combined with Pitzer coefficients for enthalpies and osmotic coefficients to develop equations that can be used to determine activity coefficients of these electrolytes from 10 to 70{degree}C and from 0.1 to 2 m to within 1%. 44 refs., 4 figs., 3 tabs.

  2. Kinetics of solid-gas reactions characterized by scanning AC nano-calorimetry with application to Zr oxidation

    SciTech Connect

    Xiao, Kechao; Lee, Dongwoo; Vlassak, Joost J.

    2014-10-27

    Scanning AC nano-calorimetry is a recently developed experimental technique capable of measuring the heat capacity of thin-film samples of a material over a wide range of temperatures and heating rates. Here, we describe how this technique can be used to study solid-gas phase reactions by measuring the change in heat capacity of a sample during reaction. We apply this approach to evaluate the oxidation kinetics of thin-film samples of zirconium in air. The results confirm parabolic oxidation kinetics with an activation energy of 0.59 ± 0.03 eV. The nano-calorimetry measurements were performed using a device that contains an array of micromachined nano-calorimeter sensors in an architecture designed for combinatorial studies. We demonstrate that the oxidation kinetics can be quantified using a single sample, thus enabling high-throughput mapping of the composition-dependence of the reaction rate.

  3. Kinetics of solid-gas reactions characterized by scanning AC nano-calorimetry with application to Zr oxidation

    NASA Astrophysics Data System (ADS)

    Xiao, Kechao; Lee, Dongwoo; Vlassak, Joost J.

    2014-10-01

    Scanning AC nano-calorimetry is a recently developed experimental technique capable of measuring the heat capacity of thin-film samples of a material over a wide range of temperatures and heating rates. Here, we describe how this technique can be used to study solid-gas phase reactions by measuring the change in heat capacity of a sample during reaction. We apply this approach to evaluate the oxidation kinetics of thin-film samples of zirconium in air. The results confirm parabolic oxidation kinetics with an activation energy of 0.59 ± 0.03 eV. The nano-calorimetry measurements were performed using a device that contains an array of micromachined nano-calorimeter sensors in an architecture designed for combinatorial studies. We demonstrate that the oxidation kinetics can be quantified using a single sample, thus enabling high-throughput mapping of the composition-dependence of the reaction rate.

  4. Adiabatic capture and debunching

    SciTech Connect

    Ng, K.Y.; /Fermilab

    2012-03-01

    In the study of beam preparation for the g-2 experiment, adiabatic debunching and adiabatic capture are revisited. The voltage programs for these adiabbatic processes are derived and their properties discussed. Comparison is made with some other form of adiabatic capture program. The muon g-2 experiment at Fermilab calls for intense proton bunches for the creation of muons. A booster batch of 84 bunches is injected into the Recycler Ring, where it is debunched and captured into 4 intense bunches with the 2.5-MHz rf. The experiment requires short bunches with total width less than 100 ns. The transport line from the Recycler to the muon-production target has a low momentum aperture of {approx} {+-}22 MeV. Thus each of the 4 intense proton bunches required to have an emittance less than {approx} 3.46 eVs. The incoming booster bunches have total emittance {approx} 8.4 eVs, or each one with an emittance {approx} 0.1 eVs. However, there is always emittance increase when the 84 booster bunches are debunched. There will be even larger emittance increase during adiabatic capture into the buckets of the 2.5-MHz rf. In addition, the incoming booster bunches may have emittances larger than 0.1 eVs. In this article, we will concentrate on the analysis of the adiabatic capture process with the intention of preserving the beam emittance as much as possible. At this moment, beam preparation experiment is being performed at the Main Injector. Since the Main Injector and the Recycler Ring have roughly the same lattice properties, we are referring to adiabatic capture in the Main Injector instead in our discussions.

  5. Thermal Properties of Silk Fibroin Using Fast Scanning Calorimetry

    NASA Astrophysics Data System (ADS)

    Cebe, Peggy; Partlow, Benjamin; Kaplan, David; Wurm, Andreas; Zhuravlev, Evgeny; Schick, Christoph

    We performed fast scanning chip-based calorimetry of silk protein using the Mettler Flash DSC1. We suggest the methodology by which to obtain quantitative information on the very first scan to high temperature, including the melting endotherm of the beta pleated sheets. For proteins, this first scan is the most important one, because the crystalline secondary structural features, the beta pleated sheets, melt after the first heating and cannot be thermally reintroduced. To obtain high quality data, the samples must be treated to drying and enthalpy relaxation sequences. The heat flow rates in heating and cooling must be corrected for asymmetric heat loses. We evaluate methods to obtain an estimate of the sample mass, finally choosing internal calibration using the known heat capacity increment at the glass transition. We report that even heating at rates of 2000 K/s, thermal degradation of silk cannot be totally avoided, though it can be minimized. Using a set of nineteen samples, we successfully determine the liquid state heat capacity of silk as: Cpliquid (T) = (1.98 +0.06) J/gK + T (6.82 +1.4) x10-4 J/gK2. Methods for estimation of the sample mass will be presented and compared. National Science Foundation, Polymers Program DMR-1206010; DAAD; Tufts Faculty Supported Leave.

  6. Adiabatic gate teleportation.

    PubMed

    Bacon, Dave; Flammia, Steven T

    2009-09-18

    The difficulty in producing precisely timed and controlled quantum gates is a significant source of error in many physical implementations of quantum computers. Here we introduce a simple universal primitive, adiabatic gate teleportation, which is robust to timing errors and many control errors and maintains a constant energy gap throughout the computation above a degenerate ground state space. This construction allows for geometric robustness based upon the control of two independent qubit interactions. Further, our piecewise adiabatic evolution easily relates to the quantum circuit model, enabling the use of standard methods from fault-tolerance theory for establishing thresholds.

  7. Isothermal titration calorimetry of ion-coupled membrane transporters.

    PubMed

    Boudker, Olga; Oh, SeCheol

    2015-04-01

    Binding of ligands, ranging from proteins to ions, to membrane proteins is associated with absorption or release of heat that can be detected by isothermal titration calorimetry (ITC). Such measurements not only provide binding affinities but also afford direct access to thermodynamic parameters of binding--enthalpy, entropy and heat capacity. These parameters can be interpreted in a structural context, allow discrimination between different binding mechanisms and guide drug design. In this review, we introduce advantages and limitations of ITC as a methodology to study molecular interactions of membrane proteins. We further describe case studies where ITC was used to analyze thermodynamic linkage between ions and substrates in ion-coupled transporters. Similar type of linkage analysis will likely be applicable to a wide range of transporters, channels, and receptors.

  8. Conformation and stability properties of B17: II. Analytical investigations using differential scanning calorimetry.

    PubMed

    Khachfe, Hassan M; Atkinson, David

    2013-04-01

    Thermal and stability properties of B17, the 17% N-terminal domain of apo B, were carried out using differential scanning calorimetry spectroscopy, where the thermal characteristics of the polypeptide were studied and analyzed. The heat capacity data of B17 showed that the protein undergoes two transitions between 50 and 90 °C, with T m's at 65.9 and 74.8 °C. While the first transition showed immediate reversibility, the second one-with the higher T m-necessitated a longer cooling (several days) period for its reversibility to be observed and both transitions could be seen in the heat capacity profile of B17. Moreover, the van't Hoff enthalpies determined via calorimetric measurements agreed with the values calculated from the CD analysis reported previously.

  9. Adiabatically implementing quantum gates

    SciTech Connect

    Sun, Jie; Lu, Songfeng Liu, Fang

    2014-06-14

    We show that, through the approach of quantum adiabatic evolution, all of the usual quantum gates can be implemented efficiently, yielding running time of order O(1). This may be considered as a useful alternative to the standard quantum computing approach, which involves quantum gates transforming quantum states during the computing process.

  10. Entanglement and adiabatic quantum computation

    NASA Astrophysics Data System (ADS)

    Ahrensmeier, D.

    2006-06-01

    Adiabatic quantum computation provides an alternative approach to quantum computation using a time-dependent Hamiltonian. The time evolution of entanglement during the adiabatic quantum search algorithm is studied, and its relevance as a resource is discussed.

  11. Thermodynamic properties of zeolites: low-temperature heat capacities and thermodynamic functions for phillipsite and clinoptilolite. Estimates of the thermochemical properties of zeolitic water at low temperature.

    USGS Publications Warehouse

    Hemingway, B.S.; Robie, R.A.

    1984-01-01

    Measured heat capacities between 15 and 305 K and calculated heat capacities, entropies, enthalpy functions and Gibbs energy functions are reported and analysed for phillipsite and clinoptilolite. - J.A.Z.

  12. Heat capacities and densities of electrolyte mixtures in aqueous solution — Application to the determination of apparent molar heat capacities and volumes for potassium triiodide and dioxoneptunium(V) perchlorate

    NASA Astrophysics Data System (ADS)

    Lemire, R. J.; Campbell, A. B.; Saluja, P. P. S.; LeBlanc, J. C.

    Apparent molar heat capacities for KI 3(aq) were determined from flow-microcalorimetric measurements of KI(aq) solutions containing dissolved iodine. From these, the conventional partial molar heat capacity C∞p,2 ( I-3, maq, 298.15 K) = 156±40 JK-1mol-1 is estimated. Also, densities and heat capacities for NpO2ClO4( aq) + HClO4( aq) mixtures were measured. Preliminary values are reported for apparent molar heat capacities (at 298.15 K) and volumes (at 296.02 K) for NpO 2ClO 4(aq). From these, values for the ionic apparent molar volume and heat capacity of NpO +2(aq) are calculated. Analysis of the data is done assuming deviations from Young's rule are small for the apparent molar heat capacities of simple electrolytes. This is shown to be true for aqueous solutions of NaCl( aq) + KBr( aq) (298.15 K and 348.15 K) and NaCl( aq) + MgCl2( aq) (348.15 K).

  13. Very high-resolution heat-capacity measurements near the lambda point of helium

    NASA Technical Reports Server (NTRS)

    Lipa, J. A.; Chui, T. C. P.

    1983-01-01

    New measurements of the heat capacity of a sample of helium 3-mm high are reported, which extend to within 5 x 10 to the -8th deg of the lambda transition at the vapor pressure. From an analysis of the results allowing for the effect of gravity, the values -0.0127 + or - 0.0026 (2 sigma) for the exponent alpha (= alpha-prime) and 1,058 + or - 0.004 for the leading singularity ratio A/A-prime are obtained. These values are in closer agreement with the theoretical predictions than those reported previously.

  14. Evaluating near-surface soil moisture using Heat Capacity Mapping Mission data

    NASA Technical Reports Server (NTRS)

    Heilman, J. L.; Moore, D. G.

    1982-01-01

    Four dates of Heat Capacity Mapping Mission (HCMM) data were analyzed in order to evaluate HCMM thermal data use in estimating near-surface soil moisture in a complex agricultural landscape. Because of large spatial and temporal ground cover variations, HCMM radiometric temperatures alone did not correlate with soil water content. The radiometric temperatures consisted of radiance contributions from different canopies and their respective soil backgrounds. However, when surface soil temperatures were empirically estimated from HCMM temperatures and percent cover of each pixel, a highly significant correlation was obtained between the estimated soil temperatures and near-surface soil water content.

  15. Snow hydrology studies using data from the Heat Capacity Mapping Mission

    NASA Technical Reports Server (NTRS)

    Barnes, J. C.; Bowley, C. J.

    1981-01-01

    This paper describes a study of the snow hydrology application of thermal infrared (IR) data from the Heat Capacity Mapping Mission (HCMM) satellite. The HCMM data in both imagery and digital tape formats are analyzed for two study areas: the Salt-Verde Watershed in central Arizona and the southern Sierra Nevada in California. The analysis procedures are described, including the development of a unique contour plotting program that makes it possible to overlay HCMM thermal contours directly onto the visible channel imagery. The results indicate that satellite thermal-IR data can provide the hydrologist with additional useful information on snow cover.

  16. The lambda point experiment in microgravity. [He heat capacity close to phase transition point

    NASA Technical Reports Server (NTRS)

    Lipa, J. A.; Chui, T. C. P.; Marek, D.

    1987-01-01

    An experiment for performing high-resolution measurements of the heat capacity singularity at the lambda point of helium in microgravity conditions is described. By obtaining such measurements in space, it is expected that the intrinsic distortion of the transition would be reduced by at least two orders of magnitude, allowing the theory of cooperative phase transitions to be more effectively tested. Technology developments for the lambda point experiment include a new high-resolution thermometer, an advanced thermal control system, and a reusable flight-qualified superfluid helium dewar.

  17. Soft-x-ray, heat-capacity, and transport measurements on icosahedral and crystalline alloys

    NASA Astrophysics Data System (ADS)

    Bruhwiler, P. A.; Wagner, J. L.; Biggs, B. D.; Shen, Y.; Wong, K. M.; Schnatterly, S. E.; Poon, S. J.

    1988-04-01

    Soft-x-ray emission, heat-capacity, and resistivity measurements are reported for icosahedral and Frank-Kasper phases of Al-Cu-Li and Al-Cu-Mg. This is the first extensive comparison of electronic properties of periodic and quasiperiodic lattices generated by packing similar structural units. Results are compared with theories of quasicrystals and provide a guideline for the observability of Van Hove singularities in quasicrystals. The density of states N(0) is a factor of 3 less in Al-Cu-Li than in Al-Cu-Mg alloys; this is spectroscopically confirmed.

  18. A Novel Measurement Method for the Simultaneous Estimation of Specific Heat Capacity and Thermal Conductivity

    NASA Astrophysics Data System (ADS)

    Okamoto, Yoichi; Okada, Ryo; Nemoto, Takashi; Ohta, Hiromichi; Takiguchi, Hiroaki

    2012-07-01

    A novel method is proposed for the simultaneous calculation of thermal conductivity κ and specific heat capacity C. The new method is a combination of two established techniques. One is the photopyroelectric method for thermal diffusivity α and the other is the front-heat front-detection photothermoreflectance method for thermal effusivity b. After α, b, and density ρ measurements, C and κ are easily calculated as C = b α -1/2 ρ -1 and κ = α 1/2 b. Test measurements on a commercial Si single-crystal wafer were performed to demonstrate that the method is sufficiently accurate.

  19. Change in heat capacity accurately predicts vibrational coupling in enzyme catalyzed reactions.

    PubMed

    Arcus, Vickery L; Pudney, Christopher R

    2015-08-01

    The temperature dependence of kinetic isotope effects (KIEs) have been used to infer the vibrational coupling of the protein and or substrate to the reaction coordinate, particularly in enzyme-catalyzed hydrogen transfer reactions. We find that a new model for the temperature dependence of experimentally determined observed rate constants (macromolecular rate theory, MMRT) is able to accurately predict the occurrence of vibrational coupling, even where the temperature dependence of the KIE fails. This model, that incorporates the change in heat capacity for enzyme catalysis, demonstrates remarkable consistency with both experiment and theory and in many respects is more robust than models used at present.

  20. The effect of mechanical activation on the heat capacity of powdered tungsten

    NASA Astrophysics Data System (ADS)

    Malkin, A. I.; Kiselev, M. R.; Klyuev, V. A.; Loznetsova, N. N.; Toporov, Yu. P.

    2012-06-01

    We have studied the heat capacity ( C p ) of a mechanically activated tungsten powder. It is established that the mechanical processing leads to an increase in C p of the metal powder at low temperatures and modifies the character of the temperature dependence of this parameter. The dependences of C p and its heating-induced variation on the treatment duration have been determined. It is concluded that the observed effects are related to the accumulation of defects in the metal grain volume during mechanical activation and their annealing in the course of heating.

  1. Analytical evaluation of thermal conductance and heat capacities of one-dimensional material systems

    SciTech Connect

    Saygi, Salih

    2014-02-15

    We theoretically predict some thermal properties versus temperature dependence of one dimensional (1D) material nanowire systems. A known method is used to provide an efficient and reliable analytical procedure for wide temperature range. Predicted formulas are expressed in terms of Bloch-Grüneisen functions and Debye functions. Computing results has proved that the expressions are in excellent agreement with the results reported in the literature even if it is in very low dimension limits of nanowire systems. Therefore the calculation method is a fully predictive approach to calculate thermal conductivity and heat capacities of nanowire material systems.

  2. Formation enthalpies and heat capacities of rear earth titanates: RE{sub 2}TiO{sub 5} (RE=La, Nd and Gd)

    SciTech Connect

    Hayun, Shmuel; Navrotsky, Alexandra

    2012-03-15

    The formation enthalpies and heat capacities of orthorhombic rare earth titanates, RE{sub 2}TiO{sub 5} (RE=La, Nd and Gd), have been studied by high temperature differential scanning calorimetry (300-1473 K) and oxide-melt solution calorimetry. The RE{sub 2}TiO{sub 5} samples are stable in enthalpy with respect to their oxides and the pyrochlore RE{sub 2}Ti{sub 2}O{sub 7} phase. The general trend that has been demonstrated in other RE-ternary systems; decreasing thermodynamic stability with decreasing R{sub A}/R{sub B} was found to be valid for the RE{sub 2}TiO{sub 5}, and their enthalpies of formation from oxides become more negative with increasing RE{sup 3+} ionic radius. - Graphical abstract: Normalized enthalpy of formation for one RE{sup 3+} cation from the oxides for several RE ternary oxide systems vs. the cation radius ratio R{sub A}/R{sub B} (A=RE, B=Ti, Zr, P). All the RE ternary oxide systems are stable relative to constituent oxides, with increasing stability as R{sub A}/R{sub B} increases. The Roman numerals above the cations represent the coordination number. Highlights: Black-Right-Pointing-Pointer Formation enthalpies and heat capacities of RE{sub 2}TiO{sub 5} (RE=La, Nd and Gd) were determined. Black-Right-Pointing-Pointer Enthalpies of formation of RE{sub 2}TiO{sub 5} from oxides become more negative with increasing RE{sup 3+} ionic radius. Black-Right-Pointing-Pointer RE{sub 2}TiO{sub 5} phases are stable in enthalpy with respect to their oxides and the pyrochlore RE{sub 2}Ti{sub 2}O{sub 7} phases. Black-Right-Pointing-Pointer Thermodynamic stability of orthorhombic RE{sub 2}TiO{sub 5} decrease with increasing R{sub B} to R{sub A} ratio.

  3. Ionic molecular interactions in solutions of alkali metal iodides in N-methylpyrrolidone at 298.15 K according to calorimetry and densimetry data

    NASA Astrophysics Data System (ADS)

    Novikov, A. N.; Rassokhina, L. Yu.

    2015-12-01

    The heat capacity and density of the ternary solutions of NaI-KI- N-methylpyrrolidone (MP), NaI-RbI-MP, KI-RbI-MP, and KI-BaI2-MP at 298.15 K were studied by calorimetry and densimetry. The changes in the heat capacity and volume during the formation of the ternary systems from binary solutions were calculated and discussed. Ion association was found to dominate during the mixing of electrolyte solutions of this type in MP, with ion resolvation occasionally producing a significant effect on ion association.

  4. Heat capacity, enthalpy of mixing, and thermal conductivity of Hg(1-x)Cd(x)Te pseudobinary melts

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua

    1986-01-01

    Heat capacity and enthalpy of mixing of Hg(1-x)Cd(x)Te pseudobinary melts were calculated assuming an associated solution model for the liquid phase. The thermal conductivity of the pseudobinary melts for x = 0, 0.05, 0.1, and 0.2 was then calculated from the heat capacity values and the experimental values of thermal diffusivity and density for these melts. The thermal conductivity for the pseudobinary solid solution is also discussed.

  5. New approaches to the simulation of heat-capacity curves and phase diagrams of pseudobinary phospholipid mixtures.

    PubMed Central

    Johann, C; Garidel, P; Mennicke, L; Blume, A

    1996-01-01

    A simulation program using least-squares minimization was developed to calculate and fit heat capacity (cp) curves to experimental thermograms of dilute aqueous dispersions of phospholipid mixtures determined by high-sensitivity differential scanning calorimetry. We analyzed cp curves and phase diagrams of the pseudobinary aqueous lipid systems 1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol/ 1,2-dipalmitoyl-sn-glycero-3phosphatidylcholine (DMPG/DPPC) and 1,2-dimyristoyl-sn-glycero-3-phosphatidic acid/1, 2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DMPA/DPPC) at pH 7. The simulation of the cp curves is based on regular solution theory using two nonideality parameters rho g and rho l for symmetric nonideal mixing in the gel and the liquid-crystalline phases. The broadening of the cp curves owing to limited cooperativity is incorporated into the simulation by convolution of the cp curves calculated for infinite cooperativity with a broadening function derived from a simple two-state transition model with the cooperative unit size n = delta HVH/delta Hcal as an adjustable parameter. The nonideality parameters and the cooperative unit size turn out to be functions of composition. In a second step, phase diagrams were calculated and fitted to the experimental data by use of regular solution theory with four different model assumptions. The best fits were obtained with a four-parameter model based on nonsymmetric, nonideal mixing in both phases. The simulations of the phase diagrams show that the absolute values of the nonideality parameters can be changed in a certain range without large effects on the shape of the phase diagram as long as the difference of the nonideality parameters for rho g for the gel and rho l for the liquid-crystalline phase remains constant. The miscibility in DMPG/DPPC and DMPA/DPPC mixtures differs remarkably because, for DMPG/DPPC, delta rho = rho l -rho g is negative, whereas for DMPA/DPPC this difference is positive. For DMPA/DPPC, this

  6. Heat Capacity Mapping Radiometer (HCMR) data processing algorithm, calibration, and flight performance evaluation

    NASA Technical Reports Server (NTRS)

    Bohse, J. R.; Bewtra, M.; Barnes, W. L.

    1979-01-01

    The rationale and procedures used in the radiometric calibration and correction of Heat Capacity Mapping Mission (HCMM) data are presented. Instrument-level testing and calibration of the Heat Capacity Mapping Radiometer (HCMR) were performed by the sensor contractor ITT Aerospace/Optical Division. The principal results are included. From the instrumental characteristics and calibration data obtained during ITT acceptance tests, an algorithm for post-launch processing was developed. Integrated spacecraft-level sensor calibration was performed at Goddard Space Flight Center (GSFC) approximately two months before launch. This calibration provided an opportunity to validate the data calibration algorithm. Instrumental parameters and results of the validation are presented and the performances of the instrument and the data system after launch are examined with respect to the radiometric results. Anomalies and their consequences are discussed. Flight data indicates a loss in sensor sensitivity with time. The loss was shown to be recoverable by an outgassing procedure performed approximately 65 days after the infrared channel was turned on. It is planned to repeat this procedure periodically.

  7. Complex Heat Capacity of Lithium Borate Glasses Studied by Modulated DSC

    SciTech Connect

    Matsuda, Yu; Ike, Yuji; Matsui, Chihiro; Kodama, Masao; Kojima, Seiji

    2006-05-05

    Complex heat capacity, C{sub p}* = C{sub p}' - iC{sub p}'', of lithium borate glasses Li2O{center_dot}(1-x)B2O3 (x = 0.00 - 0.33) has been investigated by Modulated DSC (MDSC). We have successfully observed the frequency dependent C{sub p}* by MDSC in the frequency range 0.01 to 0.1 Hz, and the average relaxation time of glass transition has been determined as a function of temperature. Moreover, the composition dependence of the thermal properties has been investigated. The calorimetric glass transition temperatures become higher with the increase of concentration of Li2O and show the board maximum around x = 0.26-0.28. The width of glass transition region becomes narrower as Li2O increases. These results relate to the change of the fragility of the system. It has been proven that the complex heat capacity spectroscopy by MDSC is a powerful tool to investigate the glass transition phenomena.

  8. A room-temperature phase transition in maximum microcline - Heat capacity measurements

    USGS Publications Warehouse

    Openshaw, R.E.; Hemingway, B.S.; Robie, R.A.; Krupka, K.M.

    1979-01-01

    The thermal hysteresis in heat capacity measurements recently reported (Openshaw et al., 1976) for a maximum microcline prepared from Amelia albite by fused-salt ion-exchange is described in detail. The hysteresis is characterized by two limiting and reproducible curves which differ by 1% of the measured heat capacities. The lower curve, denoted curve B, represents the values obtained before the sample had been cooled below 300 K. Measurements made immediately after cooling the sample below 250 K followed a second parallel curve, curve A, to at least 370 K. Values intermediate to the two limiting curves were also obtained. The transitions from the B to the A curve were rapid and observed to occur three times. The time required to complete the transition from the A to the B curve increased from 39 h to 102 h in the two times it was observed to occur. The hysteresis is interpreted as evidence of a phase change in microcline at 300??10 K The heat effect associated with the phase change has not been evaluated. ?? 1979 Springer-Verlag.

  9. Magnetic Contribution to Heat Capacity and Entropy of Nicke Ferrite (NiFe2O4)

    SciTech Connect

    S Ziemniak, L Anovitz, R Castelli

    2005-12-15

    The heat capacity of nickel ferrite was measured as a function of temperature over the range from 50 to 1200 C using a differential scanning calorimeter. A thermal anomaly was observed at 584.9 C, the expected Curie temperature, T{sub c}. The observed behavior was interpreted by recognizing the sum of three contributions: (1) lattice (vibrational), (2) a spin wave (magnetic) component and (3) a {lambda}-transition (antiferromagnetic-paramagnetic transition) at the Curie temperature. The first was modeled using vibrational frequencies derived from an experimentally-based ir absorption spectrum, while the second was modeled using a spin wave analysis that provided a T{sup 3/2} dependency in the low temperature limit, but incorporated an exchange interaction between cation spins in the octahedral and tetrahedral sites at elevated temperatures, as first suggested by Grimes [15]. The {lambda}-transition was fitted to an Inden-type model which consisted of two truncated power law series in dimensionless temperature (T/T{sub c}). Exponential equality was observed below and above T{sub c}, indicating symmetry about the Curie temperature. Application of the methodology to existing heat capacity data for other transition metal ferrites (AFe{sub 2}O{sub 4}, A = Fe, Co) revealed the same exponential equality, i.e., m = n = 5.

  10. Low-temperature heat capacity and localized vibrational modes in natural and synthetic tetrahedrites

    SciTech Connect

    Lara-Curzio, E. May, A. F.; Delaire, O.; McGuire, M. A.; Lu, X.; Liu, Cheng-Yun; Case, E. D.; Morelli, D. T.

    2014-05-21

    The heat capacity of natural (Cu{sub 12−x} (Fe, Zn, Ag){sub x}(Sb, As){sub 4}S{sub 13}) and synthetic (Cu{sub 12−x}Zn{sub x}Sb{sub 4}S{sub 13} with x = 0, 1, 2) tetrahedrite compounds was measured between 2 K and 380 K. It was found that the temperature dependence of the heat capacity can be described using a Debye term and three Einstein oscillators with characteristic temperatures that correspond to energies of ∼1.0 meV, ∼2.8 meV, and ∼8.4 meV. The existence of localized vibrational modes, which are assigned to the displacements of the trigonally coordinated Cu atoms in the structure, is discussed in the context of anharmonicity and its effect on the low lattice thermal conductivity exhibited by these compounds.

  11. Heat capacity measurements of atoms and molecules adsorbed on evaporated metal films

    SciTech Connect

    Kenny, T.W.

    1989-05-01

    Investigations of the properties of absorbed monolayers have received great experimental and theoretical attention recently, both because of the importance of surface processes in practical applications such as catalysis, and the importance of such systems to the understanding of the fundamentals of thermodynamics in two dimensions. We have adapted the composite bolometer technology to the construction of microcalorimeters. For these calorimeters, the adsorption substrate is an evaporated film deposited on one surface of an optically polished sapphire wafer. This approach has allowed us to make the first measurements of the heat capacity of submonolayer films of /sup 4/He adsorbed on metallic films. In contrast to measurements of /sup 4/He adsorbed on all other insulating substrates, we have shown that /sup 4/He on silver films occupies a two-dimensional gas phase over a broad range of coverages and temperatures. Our apparatus has been used to study the heat capacity of Indium flakes. CO multilayers, /sup 4/He adsorbed on sapphire and on Ag films and H/sub 2/ adsorbed on Ag films. The results are compared with appropriate theories. 68 refs., 19 figs.

  12. Heat capacity from 12 to 305°K and entropy of talc and tremolite

    USGS Publications Warehouse

    Robie, R.A.; Stout, J.W.

    1963-01-01

    The heat capacities of talc, Mg3Si4O10(OH)2, and tremolite, Ca2Mg6Si8O22(OH)2, have been measured between 12 and 305??K. Smoothed values of heat capacity, entropy, enthalpy, and free energy are tabulated. At 298.15?? K. the values of the thermodynamic functions are: talc, Cp?? = 76.89 ?? 0.23 cal. deg.-1 mole-1, S?? = 62.33 ?? 0.19 cal. deg.-1 mole-1, H?? - H6?? = 11,206 ?? 34 cal. mole-1; tremolite, Cp?? = 156.7 ?? 0.6 cal. deg.-1 mole-1, S?? = 131.2 ?? 0.5 cal. deg.-1 mole-1, H?? - H6?? = 23,335 ?? 90 cal. mole-1. From the equilibrium data of Bowen and Tuttle and the entropy of talc, the heat of formation of talc from MgO, SiO2, and H2O (liq.) is calculated to be ??H??f298 = -43.6 ?? 1 kcal.

  13. Adiabatic topological quantum computing

    NASA Astrophysics Data System (ADS)

    Cesare, Chris; Landahl, Andrew J.; Bacon, Dave; Flammia, Steven T.; Neels, Alice

    2015-07-01

    Topological quantum computing promises error-resistant quantum computation without active error correction. However, there is a worry that during the process of executing quantum gates by braiding anyons around each other, extra anyonic excitations will be created that will disorder the encoded quantum information. Here, we explore this question in detail by studying adiabatic code deformations on Hamiltonians based on topological codes, notably Kitaev's surface codes and the more recently discovered color codes. We develop protocols that enable universal quantum computing by adiabatic evolution in a way that keeps the energy gap of the system constant with respect to the computation size and introduces only simple local Hamiltonian interactions. This allows one to perform holonomic quantum computing with these topological quantum computing systems. The tools we develop allow one to go beyond numerical simulations and understand these processes analytically.

  14. Evidence of nanostructuration from the heat capacities of the 1,3-dialkylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid series.

    PubMed

    Rocha, Marisa A A; Coutinho, João A P; Santos, Luís M N B F

    2013-09-14

    In the present work, the heat capacities at T = 298.15 K of 1,3-dialkylimidazolium bis(trifluoromethylsulfonyl)imide, [C(N/2)C(N/2)im][NTf2], were measured, for the first time, using a high-precision heat capacity drop calorimeter, with an uncertainty of less than 0.15%. Based on the obtained results, it was possible to evaluate the effect of the cation symmetry on the heat capacity data through a comparative analysis with the [C(N-1)C1im][NTf2] ionic liquid series. The molar heat capacities of the [C(N/2)C(N/2)im][NTf2] ionic liquids series present a less pronounced deviation from the linearity along the alkyl chain length than the asymmetric based ionic liquids series. Lower molar heat capacities for the symmetric than the asymmetric series were observed, being this difference more evident for the specific and volumic heat capacities. As observed for the [C(N-1)C1im][NTf2] series, a trend shift in the heat capacities at [C6C6im][NTf2] was found that reflects the impact of nonpolar region nanostructuration on the thermophysical properties of the ionic liquids. The profile of the two regions is in agreement with the expected effect arising from the nanostructuration in ionic liquids. The results obtained in the present work show a clear indication that for the symmetric series, [C(N/2)C(N/2)im][NTf2], the starting of the liquid phase nanostructuration/alkyl chain segregation occurs around [C6C6im][NTf2].

  15. Heat capacity of hydrous trachybasalt from Mt Etna: comparison with CaAl2Si2O8 (An)-CaMgSi2O6 (Di) as basaltic proxy compositions

    NASA Astrophysics Data System (ADS)

    Giordano, D.; Nichols, A. R. L.; Potuzak, M.; Di Genova, D.; Romano, C.; Russell, J. K.

    2015-12-01

    The specific heat capacity ( C p) of six variably hydrated ( 3.5 wt% H2O) iron-bearing Etna trachybasaltic glasses and liquids has been measured using differential scanning calorimetry from room temperature across the glass transition region. These data are compared to heat capacity measurements on thirteen melt compositions in the iron-free anorthite (An)-diopside (Di) system over a similar range of H2O contents. These data extend considerably the published C p measurements for hydrous melts and glasses. The results for the Etna trachybasalts show nonlinear variations in, both, the heat capacity of the glass at the onset of the glass transition (i.e., C p g ) and the fully relaxed liquid (i.e., C p l ) with increasing H2O content. Similarly, the "configurational heat capacity" (i.e., C p c = C p l - C p g ) varies nonlinearly with H2O content. The An-Di hydrous compositions investigated show similar trends, with C p values varying as a function of melt composition and H2O content. The results show that values in hydrous C p g , C p l and C p c in the depolymerized glasses and liquids are substantially different from those observed for more polymerized hydrous albitic, leucogranitic, trachytic and phonolitic multicomponent compositions previously investigated. Polymerized melts have lower C p l and C p c and higher C p g with respect to more depolymerized compositions. The covariation between C p values and the degree of polymerization in glasses and melts is well described in terms of SMhydrous and NBO/ T hydrous. Values of C p c increase sharply with increasing depolymerization up to SMhydrous 30-35 mol% (NBO/ T hydrous 0.5) and then stabilize to an almost constant value. The partial molar heat capacity of H2O for both glasses ( C_{{{p}{H}2 {O}}}^{g} ) and liquids ( C_{{{p}{H}2 {O}}}^{l} ) appears to be independent of composition and, assuming ideal mixing, we obtain a value for C_{{{p}{H}2 {O}}}^{l} of 79 J mol-1 K-1. However, we note that a range of values for

  16. New equations for density, entropy, heat capacity, and potential temperature of a saline thermal fluid

    NASA Astrophysics Data System (ADS)

    Sun, Hongbing; Feistel, Rainer; Koch, Manfred; Markoe, Andrew

    2008-10-01

    A set of fitted polynomial equations for calculating the physical variables density, entropy, heat capacity and potential temperature of a thermal saline fluid for a temperature range of 0-374 °C, pressure range of 0.1-100 MPa and absolute salinity range of 0-40 g/kg is established. The freshwater components of the equations are extracted from the recently released tabulated data of freshwater properties of Wagner and Pruß [2002. The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use. Journal of Physical and Chemical Reference Data 31, 387-535]. The salt water component of the equation is based on the near-linear relationship between density, salinity and specific heat capacity and is extracted from the data sets of Feistel [2003. A new extended Gibbs thermodynamic potential of seawater. Progress in Oceanography 58, 43-114], Bromley et al. [1970. Heat capacities and enthalpies of sea salt solutions to 200 °C. Journal of Chemical and Engineering Data 15, 246-253] and Grunberg [1970. Properties of sea water concentrates. In: Third International Symposium on Fresh Water from the Sea, vol. 1, pp. 31-39] in a temperature range 0-200 °C, practical salinity range 0-40, and varying pressure and is also calibrated by the data set of Millero et al. [1981. Summary of data treatment for the international high pressure equation of state for seawater. UNESCO Technical Papers in Marine Science 38, 99-192]. The freshwater and salt water components are combined to establish a workable multi-polynomial equation, whose coefficients were computed through standard linear regression analysis. The results obtained in this way for density, entropy and potential temperature are comparable with those of existing models, except that our new equations cover a wider temperature—(0-374 °C) than the traditional (0-40 °C) temperature range. One can apply these newly established equations to the calculation of in-situ or

  17. Contrasting Effects of Salt and Temperature on Niosome-Bound Norharmane: Direct Evidence for Positive Heat Capacity Change in the Niosome:β-Cyclodextrin Interaction.

    PubMed

    Paul, Bijan K; Ghosh, Narayani; Mondal, Ramakanta; Mukherjee, Saptarshi

    2016-05-01

    The modulation of the prototropic equilibrium of a cancer cell photosensitizer, norharmane (NHM), within a niosome microheterogeneous environment has been investigated. The contrasting effects of temperature and extrinsically added salt on the photophysics of niosome-bound drug have been meticulously explored from steady-state and time-resolved spectroscopic techniques. The cation ⇌ neutral prototropic equilibrium of NHM is found to be preferentially favored toward the neutral species with increasing salt concentration, and the results are rationalized on the basis of water penetration to the hydration layer of niosome. The effects are typically reversed with temperature. The differential rotational relaxation behavior of NHM under various conditions has also been addressed from fluorescence anisotropy decay. Further, the study delineates the application of β-cyclodextrin (βCD) as a potential host system, leading to drug sequestration from the niosome-encapsulated state. To this end, a detailed investigation of the thermodynamics of the niosome:βCD interaction has been undertaken by isothermal titration calorimetry (ITC) to unravel the notable dependence of the thermodynamic parameters on temperature. Consequently, a critical analysis of the variation of the enthalpy change (ΔH) of the process with temperature leads to the unique observation of a positive heat capacity change (ΔCp) marking the hallmark of hydrophobic hydration. PMID:27082934

  18. Surface temperature variations as measured by the Heat Capacity Mapping Mission

    NASA Technical Reports Server (NTRS)

    Price, J. C.

    1979-01-01

    The AEM-1 satellite, the Heat Capacity Mapping Mission, has acquired high-quality thermal infrared data at times of day especially suited for studying the earth's surface and the exchange of heat and moisture with the atmosphere. Selected imagery illustrates the considerable variability of surface temperature in and around cities, in the dry southwestern United States, in the Appalachian Mountains, and in agricultural areas. Through simplifying assumptions, an analytic experience is derived that relates day/night temperature differences to the near-surface layer (thermal inertia) and to meteorological factors. Analysis of the result suggests that, in arid regions, estimates of relative thermal inertia may be inferred, whereas, in agricultural areas, a hydrologic interpretation is possible.

  19. Some examples of the utility of HCMM data in geologic remote sensing. [Heat Capacity Mapping Mission

    NASA Technical Reports Server (NTRS)

    Kahle, A. B.; Schieldge, J. P.; Abrams, M. J.; Alley, R. E.

    1981-01-01

    Examples of HCMM (Heat Capacity Mapping Mission) data in geologic remote sensing are presented, and the data set is composed of HCMM and aircraft digital scanner data and ground truth data from four western U.S. test sites. Data are used in the thermal model to test thermal data effectiveness, and changes in temperature with depth and time for dry soils are described by the model. It is found that the HCMM thermal inertia image is useful in the separability of bedrock and alluvium in Death Valley, and aa and pahoehoe flows in the Pisgah basalt flow. In a color composite of HCMM day temperature, night temperature, and day visible images of the Pisgah Crater test site, it is possible to distinguish alluvium, playa, aa and pahoehoe basalt flow, rhyolite intrusives, and other elements. Ground checking of units at a few points will extend capabilities to large areas and assist in creating telegeologic maps.

  20. Evaluating depth to shallow groundwater using Heat Capacity Mapping Mission (HCMM) data

    USGS Publications Warehouse

    Heilman, J. L.; Moore, Donald G.

    1982-01-01

    Four dates of Heat Capacity Mapping Mission (HCMM) data were analyzed to evaluate the utility of HCMM thermal data for evaluating depth to shallow groundwater. During the summer, shallow water tables can create lower soil temperatures throughout the diurnal temperature cycle. Because of large spatial and temporal ground cover variations, HCMM daytime radiometric temperatures alone did not correlate with water table depth. The radiometric temperatures consisted of radiance contributions from different crop canopies and their respective soil backgrounds. However, when surface soil temperatures were empirically estimated from HCMM temperatures and percent cover of each pixel, significant correlations were obtained between estimated soil temperatures and water table depth. Correlations increased as the season progressed and temperature gradients within the soil profile increased. However, estimated soil temperatures were also correlated with near-surface soil moisture since during the daytime, increasing soil moisture reduced surface soil temperature. Complementary effects of shallow water tables and soil moisture on daytime temperatures cannot be separated.

  1. The electronic heat capacity of YBa2Cu3O7-δ superconductor

    NASA Astrophysics Data System (ADS)

    Singh, Anu; Singh, Hempal; Indu, B. D.

    2016-07-01

    The contributions due to the point defects or disorder and anharmonicities which play deterministic role in the understanding of electronic heat capacity (EHC) of high temperature superconductors (HTS) have been investigated via electron density of states (EDOS) approach on the basis of quantum dynamical many body theory. The evaluation of EDOS has been carried out with the help of most versatile method of double time temperature dependent electron Green's functions (GF) via a Hamiltonian (non BCS type) which includes the effects of electrons, phonons, defects, anharmonicity, and electron-phonon interactions which enables to account the effects of cubic anharmonicity besides with both the force constant changes and mass difference caused by the impurities in developing the results for EDOS and EHC. The new results reveal some striking features of EHC of HTS.

  2. Intracavity adaptive correction of a 10 kW, solid-state, heat-capacity laser.

    SciTech Connect

    LaFortune, K N; Hurd, R L; Johansson, E M; Dane, C B; Fochs, S N; Brase, J M

    2004-01-12

    The Solid-State, Heat-Capacity Laser (SSHCL), under development at Lawrence Livermore National Laboratory is a large aperture (100 cm{sup 2}), confocal, unstable resonator requiring near-diffraction-limited beam quality. There are two primary sources of the aberrations in the system: residual, static aberrations from the fabrication of the optical components and predictable, time-dependent, thermally-induced index gradients within the gain medium. A deformable mirror placed within the cavity is used to correct the aberrations that are sensed externally with a Shack-Hartmann wavefront sensor. Although it is more challenging than external correction, intracavity correction enables control of the mode growth within the resonator, resulting in the ability to correct a more aberrated system longer. The overall system design, measurement techniques and correction algorithms are discussed. Experimental results from initial correction of the static aberrations and dynamic correction of the time-dependent aberrations are presented.

  3. Intracavity adaptive correction of a 10 kW, solid-state, heat-capacity laser

    SciTech Connect

    LaFortune, K N; Hurd, R L; Brase, J M; Yamamoto, R M

    2004-05-13

    The Solid-State, Heat-Capacity Laser (SSHCL), under development at Lawrence Livermore National Laboratory (LLNL) is a large aperture (100 cm{sup 2}), confocal, unstable resonator requiring near-diffraction-limited beam quality. There are two primary sources of the aberrations in the system: residual, static aberrations from the fabrication of the optical components and predictable, time-dependent, thermally-induced index gradients within the gain medium. A deformable mirror placed within the cavity is used to correct the aberrations that are sensed externally with a Shack-Hartmann wavefront sensor. Although the complexity of intracavity adaptive correction is greater than that of external correction, it enables control of the mode growth within the resonator, resulting in the ability to correct a more aberrated system longer. The overall system design, measurement techniques and correction algorithms are discussed. Experimental results from initial correction of the static aberrations and dynamic correction of the time-dependent aberrations are presented.

  4. THERMAL-INERTIA MAPPING IN VEGETATED TERRAIN FROM HEAT CAPACITY MAPPING MISSION SATELLITE DATA.

    USGS Publications Warehouse

    Watson, Ken; Hummer-Miller, Susanne

    1984-01-01

    Thermal-inertia data, derived from the Heat Capacity Mapping Mission (HCMM) satellite, were analyzed in areas of varying amounts of vegetation cover. Thermal differences which appear to correlate with lithologic differences have been observed previously in areas of substantial vegetation cover. However, the energy exchange occurring within the canopy is much more complex than that used to develop the methods employed to produce thermal-inertia images. Because adequate models are lacking at present, the interpretation is largely dependent on comparison, correlation, and inference. Two study areas were selected in the western United States: the Richfield, Utah and the Silver City, Arizona-New Mexico, 1 degree multiplied by 2 degree quadrangles. Many thermal-inertia highs were found to be associated with geologic-unit boundaries, faults, and ridges. Lows occur in valleys with residual soil cover.

  5. General characteristics and availability of Landsat 3 and heat capacity mapping mission thermal infrared data

    USGS Publications Warehouse

    Southworth, C. Scott

    1983-01-01

    Two satellite systems launched by the National Aeronautics and Space Administration (NASA) in 1978 carried sensors which operated in the thermal infrared (IR) region of the electromagnetic spectrum, The final IR radiation data provide spectral information about the physical properties of the Earth's surficial materials not duplicated in either the visible or reflective IR wavelength regions. Landsat 3, launched on March 5, 1978, contained a thermal sensor as part of the multispectral scanner (MSS) system. The sensor operated in the 10.4- to 12.6-?m (band 8) wavelength region and produced imagery with a ground resolution of approximately 235 m. Launched on April 26) 1978) the Heat Capacity Mapping Mission (HCMM) spacecraft carried a sensor, the heat capacity mapping radiometer (HCMR) which operated in the 10.5- to 12.5?m wavelength region and produced imagery with a ground resolution of approximately 600 m at nadir. The HCMM satellite acquired over 6,600 data passes of visible (0.55-1.1 ?m), as well as thermal IR data, over North America, Europe, and Australia. General characteristics and availability of Landsat 3 and HCMM thermal IR data are discussed. Landsat 3 reflected IR band 7 (0.55-1.1 ?m) and Landsat 3 band 8 thermal data acquired over the eastern and western United States are analyzed and compared with HCMM visible, thermal IR, thermal inertia, and day-night temperature difference imagery for geologic applications. Digitally processed and enhanced HCMM data (high-pass filters, diagonal derivatives, and band ratios), produced by the U.S. Geological Survey, Flagstaff) Ariz., are presented for geologic interpretation.

  6. Adiabatic Halo Formation

    SciTech Connect

    Bazzani, A.; Turchetti, G.; Benedetti, C.; Rambaldi, S.; Servizi, G.

    2005-06-08

    In a high intensity circular accelerator the synchrotron dynamics introduces a slow modulation in the betatronic tune due to the space-charge tune depression. When the transverse motion is non-linear due to the presence of multipolar effects, resonance islands move in the phase space and change their amplitude. This effect introduces the trapping and detrapping phenomenon and a slow diffusion in the phase space. We apply the neo-adiabatic theory to describe this diffusion mechanism that can contribute to halo formation.

  7. Invited article: micron resolution spatially resolved measurement of heat capacity using dual-frequency time-domain thermoreflectance.

    PubMed

    Wei, Changdong; Zheng, Xuan; Cahill, David G; Zhao, Ji-Cheng

    2013-07-01

    A pump-probe photothermal technique - dual-frequency time-domain thermoreflectance - was developed for measuring heat capacity with a spatial resolution on the order of 10 μm. The method was validated by measuring several common materials with known heat capacity. Rapid measurement of composition-phase-property relationships was demonstrated on Ti-TiSi2 and Ni-Zr diffusion couples; experimental values of heat capacity of the intermetallic compounds in these diffusion couples were compared with literature values and CALPHAD (CALculation of PHAse Diagram) calculations. The combination of this method and diffusion multiples provides an efficient way to generate thermodynamic data for CALPHAD modeling and database construction. The limitation of this method in measuring low thermal diffusivity materials is also discussed.

  8. Low-temperature dynamics of matrix isolated methane molecules in fullerite C60: The heat capacity, isotope effects

    NASA Astrophysics Data System (ADS)

    Bagatskii, M. I.; Manzhelii, V. G.; Sumarokov, V. V.; Dolbin, A. V.; Barabashko, M. S.; Sundqvist, B.

    2014-08-01

    The heat capacity of the interstitial solid solution (CH4)0.4C60 has been investigated in the temperature interval 1.4-120 K. The contribution of CH4 molecules to the heat capacity of the solution has been separated. The contributions of CH4 and CD4 molecules to the heat capacity of the solutions (CH4)0.40C60 and (CD4)0.40C60 have been compared. It is found that above 90 K the character of the rotational motion of CH4 and CD4 molecules changes from libration to hindered rotation. In the interval 14-35 K the heat capacities of CH4 and CD4 molecules are satisfactorily described by contributions of the translational and libration vibrations, as well as the tunnel rotation for the equilibrium distribution of the nuclear spin species. The isotope effect is due to mainly, the difference in the frequencies of local translational and libration vibrations of molecules CH4 and CD4. The contribution of the tunnel rotation of the CH4 and CD4 molecules to the heat capacity is dominant below 8 K. The isotopic effect is caused by the difference between both the conversion rates and the rotational spectra of the nuclear spin species of CH4 and CD4 molecules. The conversion rate of CH4 molecules is several times lower than that of CD4 ones. Weak features observed in the curves of temperature dependencies of the heat capacity of CH4 and CD4 molecules near 6 and 8 K, respectively, are most likely a manifestation of first-order polyamorphic phase transitions in the orientational glasses of these solutions.

  9. CALORIMETRY OF TRU WASTE MATERIALS

    SciTech Connect

    C. RUDY; ET AL

    2000-08-01

    Calorimetry has been used for accountability measurements of nuclear material in the US. Its high accuracy, insensitivity to matrix effects, and measurement traceability to National Institute of Standards and Technology have made it the primary accountability assay technique for plutonium (Pu) and tritium in the Department of Energy complex. A measurement of Pu isotopic composition by gamma-ray spectroscopy is required to transform the calorimeter measurement into grams Pu. The favorable calorimetry attributes allow it to be used for verification measurements, for production of secondary standards, for bias correction of other faster nondestructive (NDA) methods, or to resolve anomalous measurement results. Presented in this paper are (1) a brief overview of calorimeter advantages and disadvantages, (2) a description of projected large volume calorimeters suitable for waste measurements, and (3) a new technique, direct measurement of transuranic TRU waste alpha-decay activity through calorimetry alone.

  10. Contactless Calorimetry for Levitated Samples

    NASA Technical Reports Server (NTRS)

    Lee, M. C.; Dokko, W.

    1986-01-01

    Temperature and specific heat of hot sample measured with pyrometer in proposed experimental technique. Technique intended expecially for contactless calorimetry of such materials as undercooled molten alloys, samples of which must be levitated to prevent contamination and premature crystallization. Contactless calorimetry technique enables data to be taken over entire undercooling temperature range with only one sample. Technique proves valuable in study of undercooling because difference in specific heat between undercooled-liquid and crystalline phases at same temperature provides driving force to convert metastable undercooled phase to stable crystalline phase.

  11. Geometry of the Adiabatic Theorem

    ERIC Educational Resources Information Center

    Lobo, Augusto Cesar; Ribeiro, Rafael Antunes; Ribeiro, Clyffe de Assis; Dieguez, Pedro Ruas

    2012-01-01

    We present a simple and pedagogical derivation of the quantum adiabatic theorem for two-level systems (a single qubit) based on geometrical structures of quantum mechanics developed by Anandan and Aharonov, among others. We have chosen to use only the minimum geometric structure needed for the understanding of the adiabatic theorem for this case.…

  12. AB INITIO SIMULATIONS FOR MATERIAL PROPERTIES ALONG THE JUPITER ADIABAT

    SciTech Connect

    French, Martin; Becker, Andreas; Lorenzen, Winfried; Nettelmann, Nadine; Bethkenhagen, Mandy; Redmer, Ronald; Wicht, Johannes

    2012-09-15

    We determine basic thermodynamic and transport properties of hydrogen-helium-water mixtures for the extreme conditions along Jupiter's adiabat via ab initio simulations, which are compiled in an accurate and consistent data set. In particular, we calculate the electrical and thermal conductivity, the shear and longitudinal viscosity, and diffusion coefficients of the nuclei. We present results for associated quantities like the magnetic and thermal diffusivity and the kinematic shear viscosity along an adiabat that is taken from a state-of-the-art interior structure model. Furthermore, the heat capacities, the thermal expansion coefficient, the isothermal compressibility, the Grueneisen parameter, and the speed of sound are calculated. We find that the onset of dissociation and ionization of hydrogen at about 0.9 Jupiter radii marks a region where the material properties change drastically. In the deep interior, where the electrons are degenerate, many of the material properties remain relatively constant. Our ab initio data will serve as a robust foundation for applications that require accurate knowledge of the material properties in Jupiter's interior, e.g., models for the dynamo generation.

  13. Mound calorimetry for explosive surveillance

    SciTech Connect

    Shockey, G.C.; Rodenburg, W.W.

    1985-01-01

    Heat of reaction determinations of pyrotechnics and explosives is made at MRC-Mound by bomb calorimetry. Energy releases from ten calories to 94 kilocalories have been measured accurately using four different calorimeter systems. Each system is described and some heat of reaction results are given. 3 figs., 4 tabs.

  14. Heat capacities and entropies of sillimanite, fibrolite, andalusite, kyanite, and quartz and the Al2SiO5 phase diagram

    USGS Publications Warehouse

    Hemingway, B.S.; Robie, R.A.; Evans, H.T.; Kerrick, Derrill M.

    1991-01-01

    Low-temperature heat capacities for sillimanite, fibrolite, and both fine-grained and coarse-grained quartz have been measured. Superambient heat capacities have been measured for four sillimanite, two andalusite, one kyanite, and two fibrolite samples. Equations are recommended for the temperature dependence of the heat capacities of kyanite, andalusite, sillimanite, and fibrolite. The heat capacity functions have been combined with thermal expansion (fibrolite and sillimanite reported here), enthalpy of solution, and phase equilibrium data in order to construct a phase diagram for the Al2SiO5 polymorphs. -from Authors

  15. Calibration of High Temperature Thermal Conductivity System: New Algorithm to Measure Heat Capacity Using Flash Thermal Diffusivity in Thermoelectric Materials

    NASA Technical Reports Server (NTRS)

    Deb, Rahul; Snyder, Jeff G.

    2005-01-01

    A viewgraph presentation describing thermoelectric materials, an algorithm for heat capacity measurements and the process of flash thermal diffusivity. The contents include: 1) What are Thermoelectrics?; 2) Thermoelectric Applications; 3) Improving Thermoelectrics; 4) Research Goal; 5) Flash Thermal Diffusivity; 6) Background Effects; 7) Stainless Steel Comparison; 8) Pulse Max Integral; and 9) Graphite Comparison Algorithm.

  16. Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures

    SciTech Connect

    Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; Mitroshenkov, N. V.; Kuznetsov, S. V.; Bud'ko, S. L.

    2015-07-20

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2–300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the sum of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. As a result, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.

  17. Heat capacity and monogamy relations in the mixed-three-spin XXX Heisenberg model at low temperatures

    NASA Astrophysics Data System (ADS)

    Zad, Hamid Arian; Movahhedian, Hossein

    2016-08-01

    Heat capacity of a mixed-three-spin (1/2,1,1/2) antiferromagnetic XXX Heisenberg chain is precisely investigated by use of the partition function of the system for which, spins (1,1/2) have coupling constant J1 and spins (1/2,1/2) have coupling constant J2. We verify tripartite entanglement for the model by means of the convex roof extended negativity (CREN) and concurrence as functions of temperature T, homogeneous magnetic field B and the coupling constants J1 and J2. As shown in our previous work, [H. A. Zad, Chin. Phys. B 25 (2016) 030303.] the temperature, the magnetic field and the coupling constants dependences of the heat capacity for such spin system have different behaviors for the entangled and separable states, hence, we did some useful comparisons between this quantity and negativities of its organized bipartite (sub)systems at entangled and separable states. Here, we compare the heat capacity of the mixed-three-spin (1/2,1,1/2) system with the CREN and the tripartite concurrence (as measures of the tripartite entanglement) at low temperature. Ground state phase transitions, and also, transition from ground state to some excited states are explained in detail for this system at zero temperature. Finally, we investigate the heat capacity behavior around those critical points in which these quantum phase transitions occur.

  18. Heat capacity of aqueous monoethanolamine, diethanolamine, N-methyldiethanolamine, and N-methyldiethanolamine-based blends with carbon dioxide

    SciTech Connect

    Weiland, R.H.; Dingman, J.C.; Cronin, D.B.

    1997-09-01

    New data are reported on the heat capacity of CO{sub 2}-loaded, aqueous solutions of monoethanolamine (MEA), diethanolamine (DEA), N-methyldiethanolamine (MDEA), and aqueous MDEA-based blends with MEA and DEA. The work reported here was motivated by the need to quantify the effect of acid gas loading on the important physical properties of gas-sweetening solvents.

  19. Intracavity, adaptive correction of a high-average-power, solid-state, heat-capacity laser

    SciTech Connect

    LaFortune, K N; Hurd, R L; Brase, J M; Yamamoto, R M

    2005-01-05

    The Solid-State, Heat-Capacity Laser (SSHCL) program at Lawrence Livermore National Laboratory is a multigeneration laser development effort scalable to the megawatt power levels. Wavefront quality is a driving metric of its performance. A deformable mirror with over 100 degrees of freedom situated within the cavity is used to correct both the static and dynamic aberrations sensed with a Shack-Hartmann wavefront sensor. The laser geometry is an unstable, confocal resonator with a clear aperture of 10 cm x 10 cm. It operates in a pulsed mode at a high repetition rate (up to 200 Hz) with a correction being applied before each pulse. Wavefront information is gathered in real-time from a low-power pick-off of the high-power beam. It is combined with historical trends of aberration growth to calculate a correction that is both feedback and feed-forward driven. The overall system design, measurement techniques and correction algorithms are discussed. Experimental results are presented.

  20. Heat capacity and thermal relaxation of bulk helium very near the lambda point

    NASA Technical Reports Server (NTRS)

    Lipa, John A.; Swanson, D. R.; Nissen, J. A.; Chui, T. C. P.

    1994-01-01

    In October 1992 a low temperature experiment was flown on the Space Shuttle in low Earth orbit. The objective of the mission was to measure the heat capacity and thermal conductivity of helium very close to the lambda point with the smearing effect of gravity removed. We report preliminary results from the experiment, and compare them with related measurements performed on the ground. The sample was s sphere of helium 3.5 cm in diameter contained within a copper calorimeter of vey high thermal conductivity. The calorimeter was attached to a pair of high resolution paramagnetic salt thermometers with noise levels in the 10(exp -10) K range and suspended from a high stability thermal isolation system. During the mission we found that the resolution of the thermometers was degraded somewhat due to the impact of charged particles. This effect limited the useful resolution of the measurements to about two nanokelvins from the lambda point. The results reported here are limited to about ten nanokelvins from the transition.

  1. Ideal-gas heat capacities and virial coefficients of HFC refrigerants

    SciTech Connect

    Yokozeki, A.; Sato, H.; Watanabe, K.

    1998-01-01

    Thermodynamic properties of HFC (hydrofluorocarbon) compounds have been extensively studied with worldwide interest as alternative refrigerants. Both quality and quantity in the experimental data far exceed those for the CFC and HCFC refrigerants. These data now provide a great opportunity to examine the validity of theoretical models, and vice versa. Among them, the ideal-gas heat capacity (C{sub p}{sup 0}) and virial coefficients derived from the experimental data are of particular interest, since they are directly related to the intramolecular and intermolecular potentials through the statistical mechanical procedure. There have been some discrepancies reported in the observed and theoretical C{sub p}{sup 0} for HFC compounds. The authors have performed new calculations for C{sub p}{sup 0} for several HFCs. The present results are consistent with the selected experimental values. The second (B) and Third (C) virial coefficients have been reported for these HFC refrigerants from speed of sound data and Burnett PVT data. Often, a square well-type intermolecular potential is employed to correlate the data. However, the model potential cannot account consistently for both B and C coefficients with the same potential parameters. They have analyzed the data with the Stockmayer potential and obtained self-consistent results for various HFC (R-23, R-32, R-125, R-134a, R-143a, and R-152a) compounds with physically reasonable potential parameters.

  2. Modeling Antimortar Lethality by a Solid-State Heat-Capacity Laser

    SciTech Connect

    Boley, C D; Rubenchik, A M

    2005-02-15

    We have studied the use of a solid-state heat-capacity laser (SSHCL) in mortar defense. This type of laser, as built at LLNL, produces high-energy pulses with a wavelength of about 1 {micro}m and a pulse repetition rate of 200 Hz. Currently, the average power is about 26 kW. Our model of target interactions includes optical absorption, two-dimensional heat transport in the metal casing and explosive, melting, wind effects (cooling and melt removal), high-explosive reactions, and mortar rotation. The simulations continue until HE initiation is reached. We first calculate the initiation time for a range of powers on target and spot sizes. Then we consider an engagement geometry in which a mortar is fired at an asset defended by a 100-kW SSHCL. Propagation effects such as diffraction, turbulent broadening, scattering, and absorption are calculated for points on the trajectory, by means of a validated model. We obtain kill times and fluences, as functions of the rotation rate. These appear quite feasible.

  3. Heat capacity decomposition by partition function zeros for interacting self-avoiding walks

    NASA Astrophysics Data System (ADS)

    Chen, Chi-Ning; Hsieh, Yu-Hsin; Hu, Chin-Kun

    2013-10-01

    A novel method based on partition function zeros is developed to demonstrate the additional advantages by considering both loci of partition function zeros and thermodynamical functions associated with them. With this method, the first pair of complex conjugate zeros (first zeros) can be defined without ambiguity and the critical point of a small system can be defined as the peak position of the heat capacity component associated with the first zeros. For the system with two phase transitions, two pairs of first zeros corresponding to two phase transitions can be identified and two overlapping phase transitions can be well separated. This method is applied to the interacting self-avoiding walk (ISAW) of homopolymer with N monomers on the simple cubic lattice, which has a collapse transition at a higher temperature and a freezing transition at a low temperature. The exact partition functions ZN with N up to 27 are calculated and our approach gives a clear scenario for the collapse and the freezing transitions.

  4. Analytical insight into the lattice thermal conductivity and heat capacity of monolayer MoS2

    NASA Astrophysics Data System (ADS)

    Saha, Dipankar; Mahapatra, Santanu

    2016-09-01

    We report, a detailed theoretical study on the lattice thermal conductivity of a suspended monolayer MoS2, far beyond its ballistic limit. The analytical approach adopted in this work mainly relies on the use of Boltzmann transport equation (BTE) within the relaxation time approximation (RTA), along with the first-principles calculations. Considering the relative contributions from the various in-plane and out-of-plane acoustic modes, we derive the closed-form expressions of the mode specific heat capacities, which we later use to obtain the phonon thermal conductivities of the monolayer MoS2. Besides finding the intrinsic thermal conductivity, we also analyse the effect of the phonon-boundary scattering, for different dimensions and edge roughness conditions. The viability of the semi-analytic solution of lattice thermal conductivity reported in this work ranges from a low temperature (T∼30 K) to a significantly high temperature (T∼550 K), and the room temperature (RT) thermal conductivity value has been obtained as 34.06 Wm-1K-1 which is in good agreement with the experimental result.

  5. The Ideal and Real Gas Heat Capacity of Potassium Atoms at High Temperatures

    NASA Astrophysics Data System (ADS)

    Biolsi, Louis; Biolsi, Michael

    2016-04-01

    The ideal gas heat capacity, Cp, of potassium atoms is calculated to high temperatures using statistical mechanics. Since there are a large number of electronic energy levels in the partition function (Boltzmann sum) below the first ionization potential, the partition function and Cp will become very large as the temperature increases unless the number of energy levels contributing to the partition function is constrained. Two primary categories of arguments are used to do this. First, at high temperatures, the increased size of the atoms constrains the sum (Bethe method). Second, an argument based on the existence of interacting charged species at higher temperatures is used to constrain the sum (ionization potential lowering method). When potassium atoms are assumed to constitute a real gas that obeys the virial equation of state, the lowest non-ideal contribution to Cp depends on the second derivative of the second virial coefficient, B( T), which depends on the interaction potential energy curves between two potassium atoms. When two ground-state (2{S}) atoms interact, they can follow either of the two potential energy curves. When a 2{S} atom interacts with an atom in the first electronically excited (2{P}) state, they can follow any of the eight potential energy curves. The values of B( T) for the ten states are determined, then averaged, and used to calculate the nonideal contribution to Cp.

  6. Magnon heat capacity and magnetic susceptibility of the spin Lieb lattice

    NASA Astrophysics Data System (ADS)

    Yarmohammadi, Mohsen

    2016-11-01

    Using linear response theory, Heisenberg model Hamiltonian and Green's function technique, the influences of Dzyaloshinskii-Moriya interaction (DMI), external magnetic field and next-nearest-neighbor (NNN) coupling on the density of magnon modes (DMM), the magnetic susceptibility (MS) and the magnon heat capacity (MHC) of a spin Lieb lattice, a face-centered square lattice, are investigated. The results reveal a band gap in the DMM and we witness an extension in the bandwidth and an increase in the number of van-Hove singularities as well. As a notable point, besides the magnetic nature which includes ferromagnetism in spin Lieb-based nanosystems, MS is investigated. Further, we report a Schottky anomaly in the MHC. The results show that the effects of the magnetic field on the MHC and MS have different behaviors in two temperature regions. In the low temperature region, MHC and MS increase when the magnetic field strength increases. On the other hand, the MHC and MS reduce with increasing the magnetic field strength in the high temperature region. Also comprehensive numerical modelling of the DMM, the MS and the MHC of a spin Lieb lattice yields excellent qualitative agreement with the experimental data.

  7. The Stone-Wales transformation: from fullerenes to graphite, from radiation damage to heat capacity.

    PubMed

    Heggie, M I; Haffenden, G L; Latham, C D; Trevethan, T

    2016-09-13

    The Stone-Wales (SW) transformation, or carbon-bond rotation, has been fundamental to understanding fullerene growth and stability, and ab initio calculations show it to be a high-energy process. The nature and topology of the fullerene energy landscape shows how the Ih-C60 must be the final product, if SW transformations are fast enough, and various mechanisms for their catalysis have been proposed. We review SW transformations in fullerenes and then discuss the analogous transformation in graphite, where they form the Dienes defect, originally posited to be a transition state in the direct exchange of a bonded atom pair. On the basis of density functional theory calculations in the local density approximation, we propose that non-equilibrium concentrations of the Dienes defect arising from displacing radiation are rapidly healed by point defects and that equilibrium concentrations of Dienes defects are responsible for the divergent ultra-high-temperature heat capacity of graphite.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'. PMID:27501968

  8. Calorimetry-Derived Composition Vectors to Resolve Component Raman Spectra in Phospholipid Phase Transitions.

    PubMed

    Kitt, Jay P; Bryce, David A; Harris, Joel M

    2016-07-01

    Multidimensional least squares analysis is a well-established technique for resolving component vibrational spectra from mixed samples or systems. Component resolution of temperature-dependent vibrational spectra is challenging, however, due to the lack of a suitable model for the variation in sample composition with temperature. In this work, analysis of temperature-dependent Raman spectra of lipid membranes is accomplished by using "concentration" vectors independently derived from enthalpy changes determined by differential scanning calorimetry. Specifically, the lipid-bilayer phase transitions of DMPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine) are investigated through Raman spectra acquired from individual, optically trapped vesicles in suspension as a function of temperature. Heat capacity profiles of the same vesicle suspension are measured using differential scanning calorimetry and numerically integrated to generate enthalpy change curves of each phase transition, which are in turn used to construct composition vectors. Multidimensional least squares analysis optimized for a fit to these composition vectors allows resolution of the component spectra corresponding to gel, ripple, and liquid-crystalline phases of the DMPC. The quality of fit of the calorimetry-derived results is confirmed by unstructured residual differences between the data and the model, and a composition variation predicted by the resolved spectra that matches the calorimetry results. This approach to analysis of temperature-dependent spectral data could be readily applied in other areas of materials characterization, where one is seeking to learn about structural changes that occur through temperature-dependent phase transitions. PMID:27273975

  9. Measurement of the Heat Capacity of He-II Under a Heat Current Near the Lambda Transition

    NASA Technical Reports Server (NTRS)

    Harter, Alexa W.; Lee, Richard A. M.; Chui, Talso C. P.; Goodstein, David L.

    2000-01-01

    We present preliminary measurements of the heat capacity of superfluid helium-4 under an applied heat current near the lambda transition. The calorimeter is a standard cylindrical thermal conductivity cell with a 0.6 mm gap between two copper endplates. The sidewall is made of stainless steel. A heat current density in the range of 1 to 4 microW/sq cm is applied through the helium sample while a pulse method is used to measure the heat capacity. Temperature changes are recorded with high-resolution thermometers (HRTs) located on the top and bottom endplates. Corrections are made to the readings of the HRTs to account for the Kapitza boundary resistance and the anomalous Kapitza boundary resistance. After the corrections, both the top and the bottom HRTs. give the same heat capacity values. The heat capacity is found to be much larger than the prediction of recent theories. We also plotted our data on a scaled plot to test the prediction of scaling by the theories. The result and its interpretation will be presented. The cell height was deliberately made to be thin to reduce the effects of gravity. Nonetheless, gravity is expected to have significant effects on the heat capacity data in the temperature range of our measurement. A space experiment would remove this unwanted gravity effect and allow the true physics to be examined. Moreover, in the absence of gravity, a deeper cell can be used allowing HRTs to be mounted on to the sidewall providing direct measurements of the helium temperature, unaffected by the anomalous Kapitza boundary resistance.

  10. Shock waves and phase changes in a large-heat-capacity fluid emerging from a tube

    NASA Astrophysics Data System (ADS)

    Thompson, P. A.; Kim, Y.-G.; Carofano, G. C.

    1986-05-01

    The emergence of a shockwave from the open end of a shock tube is studied, with special emphasis on test fluids of high molar heat capacity, i.e. retrograde fluids. A variety of wavelike vapour-liquid phase changes are observed in such fluids, including the liquefaction shock, mixture-evaporation shock, condensation waves associated with shock splitting and liquid-evaporation waves (these phenomena have analogues in the polymorphic phase changes of solids; only the first two are treated in this paper). The open end of the shock-tube test section discharges into an observation chamber where photographs of the emerging flow are taken. Calculations were performed with the Benedict-Webb-Rubin, van der Waals and other equations of state. Numerical (finite-difference) predictions of the flow were made for single-phase and two-phase flows: solutions were tested against the experimental shock diffraction and vortex data of Skews. The phase-change properties of the test fluid can be quantified by the 'retrogradicity' r(T), measuring the difference in slope between the P, T isentrope and the vapour-pressure curve, and the 'kink' k(T), measuring the difference between the single-phase and mixture sound speeds. Mixture-evaporation (i.e. rerefaction) shocks appear to have a sonic-sonic or double Chapman-Jouguet structure and show agreement with amplitude predictions based on k(T). Liquefaction shocks are found to show a reproducible transition from regular, smooth shock fronts to irregular, chaotic shock fronts with increasing shock Mach number. This transition can be correlated with published stability limits.

  11. Large-scale calculations of gas phase thermochemistry: Enthalpy of formation, standard entropy, and heat capacity

    NASA Astrophysics Data System (ADS)

    Ghahremanpour, Mohammad M.; van Maaren, Paul J.; Ditz, Jonas C.; Lindh, Roland; van der Spoel, David

    2016-09-01

    Large scale quantum calculations for molar enthalpy of formation (ΔfH0), standard entropy (S0), and heat capacity (CV) are presented. A large data set may help to evaluate quantum thermochemistry tools in order to uncover possible hidden shortcomings and also to find experimental data that might need to be reinvestigated, indeed we list and annotate approximately 200 problematic thermochemistry measurements. Quantum methods systematically underestimate S0 for flexible molecules in the gas phase if only a single (minimum energy) conformation is taken into account. This problem can be tackled in principle by performing thermochemistry calculations for all stable conformations [Zheng et al., Phys. Chem. Chem. Phys. 13, 10885-10907 (2011)], but this is not practical for large molecules. We observe that the deviation of composite quantum thermochemistry recipes from experimental S0 corresponds roughly to the Boltzmann equation (S = RlnΩ), where R is the gas constant and Ω the number of possible conformations. This allows an empirical correction of the calculated entropy for molecules with multiple conformations. With the correction we find an RMSD from experiment of ≈13 J/mol K for 1273 compounds. This paper also provides predictions of ΔfH0, S0, and CV for well over 700 compounds for which no experimental data could be found in the literature. Finally, in order to facilitate the analysis of thermodynamics properties by others we have implemented a new tool obthermo in the OpenBabel program suite [O'Boyle et al., J. Cheminf. 3, 33 (2011)] including a table of reference atomization energy values for popular thermochemistry methods.

  12. Novel Anthropometry-Based Calculation of the Body Heat Capacity in the Korean Population.

    PubMed

    Pham, Duong Duc; Lee, Jeong Hoon; Lee, Young Boum; Park, Eun Seok; Kim, Ka Yul; Song, Ji Yeon; Kim, Ji Eun; Leem, Chae Hun

    2015-01-01

    Heat capacity (HC) has an important role in the temperature regulation process, particularly in dealing with the heat load. The actual measurement of the body HC is complicated and is generally estimated by body-composition-specific data. This study compared the previously known HC estimating equations and sought how to define HC using simple anthropometric indices such as weight and body surface area (BSA) in the Korean population. Six hundred participants were randomly selected from a pool of 902 healthy volunteers aged 20 to 70 years for the training set. The remaining 302 participants were used for the test set. Body composition analysis using multi-frequency bioelectrical impedance analysis was used to access body components including body fat, water, protein, and mineral mass. Four different HCs were calculated and compared using a weight-based HC (HC_Eq1), two HCs estimated from fat and fat-free mass (HC_Eq2 and HC_Eq3), and an HC calculated from fat, protein, water, and mineral mass (HC_Eq4). HC_Eq1 generally produced a larger HC than the other HC equations and had a poorer correlation with the other HC equations. HC equations using body composition data were well-correlated to each other. If HC estimated with HC_Eq4 was regarded as a standard, interestingly, the BSA and weight independently contributed to the variation of HC. The model composed of weight, BSA, and gender was able to predict more than a 99% variation of HC_Eq4. Validation analysis on the test set showed a very high satisfactory level of the predictive model. In conclusion, our results suggest that gender, BSA, and weight are the independent factors for calculating HC. For the first time, a predictive equation based on anthropometry data was developed and this equation could be useful for estimating HC in the general Korean population without body-composition measurement.

  13. Novel Anthropometry-Based Calculation of the Body Heat Capacity in the Korean Population

    PubMed Central

    Pham, Duong Duc; Lee, Jeong Hoon; Lee, Young Boum; Park, Eun Seok; Kim, Ka Yul; Song, Ji Yeon; Kim, Ji Eun; Leem, Chae Hun

    2015-01-01

    Heat capacity (HC) has an important role in the temperature regulation process, particularly in dealing with the heat load. The actual measurement of the body HC is complicated and is generally estimated by body-composition-specific data. This study compared the previously known HC estimating equations and sought how to define HC using simple anthropometric indices such as weight and body surface area (BSA) in the Korean population. Six hundred participants were randomly selected from a pool of 902 healthy volunteers aged 20 to 70 years for the training set. The remaining 302 participants were used for the test set. Body composition analysis using multi-frequency bioelectrical impedance analysis was used to access body components including body fat, water, protein, and mineral mass. Four different HCs were calculated and compared using a weight-based HC (HC_Eq1), two HCs estimated from fat and fat-free mass (HC_Eq2 and HC_Eq3), and an HC calculated from fat, protein, water, and mineral mass (HC_Eq4). HC_Eq1 generally produced a larger HC than the other HC equations and had a poorer correlation with the other HC equations. HC equations using body composition data were well-correlated to each other. If HC estimated with HC_Eq4 was regarded as a standard, interestingly, the BSA and weight independently contributed to the variation of HC. The model composed of weight, BSA, and gender was able to predict more than a 99% variation of HC_Eq4. Validation analysis on the test set showed a very high satisfactory level of the predictive model. In conclusion, our results suggest that gender, BSA, and weight are the independent factors for calculating HC. For the first time, a predictive equation based on anthropometry data was developed and this equation could be useful for estimating HC in the general Korean population without body-composition measurement. PMID:26529594

  14. Novel Anthropometry-Based Calculation of the Body Heat Capacity in the Korean Population.

    PubMed

    Pham, Duong Duc; Lee, Jeong Hoon; Lee, Young Boum; Park, Eun Seok; Kim, Ka Yul; Song, Ji Yeon; Kim, Ji Eun; Leem, Chae Hun

    2015-01-01

    Heat capacity (HC) has an important role in the temperature regulation process, particularly in dealing with the heat load. The actual measurement of the body HC is complicated and is generally estimated by body-composition-specific data. This study compared the previously known HC estimating equations and sought how to define HC using simple anthropometric indices such as weight and body surface area (BSA) in the Korean population. Six hundred participants were randomly selected from a pool of 902 healthy volunteers aged 20 to 70 years for the training set. The remaining 302 participants were used for the test set. Body composition analysis using multi-frequency bioelectrical impedance analysis was used to access body components including body fat, water, protein, and mineral mass. Four different HCs were calculated and compared using a weight-based HC (HC_Eq1), two HCs estimated from fat and fat-free mass (HC_Eq2 and HC_Eq3), and an HC calculated from fat, protein, water, and mineral mass (HC_Eq4). HC_Eq1 generally produced a larger HC than the other HC equations and had a poorer correlation with the other HC equations. HC equations using body composition data were well-correlated to each other. If HC estimated with HC_Eq4 was regarded as a standard, interestingly, the BSA and weight independently contributed to the variation of HC. The model composed of weight, BSA, and gender was able to predict more than a 99% variation of HC_Eq4. Validation analysis on the test set showed a very high satisfactory level of the predictive model. In conclusion, our results suggest that gender, BSA, and weight are the independent factors for calculating HC. For the first time, a predictive equation based on anthropometry data was developed and this equation could be useful for estimating HC in the general Korean population without body-composition measurement. PMID:26529594

  15. Role of the heat capacity change in understanding and modeling melting thermodynamics of complementary duplexes containing standard and nucleobase-modified LNA.

    PubMed

    Hughesman, Curtis B; Turner, Robin F B; Haynes, Charles A

    2011-06-14

    Melting thermodynamic data obtained by differential scanning calorimetry (DSC) are reported for 43 duplexed oligonucleotides containing one or more locked nucleic acid (LNA) substitutions. The measured heat capacity change (ΔC(p)) for the helix-to-coil transition is used to compute the changes in enthalpy and entropy for melting of an LNA-bearing duplex at the T(m) of its corresponding isosequential unmodified DNA duplex to allow rigorous thermodynamic analysis of the stability enhancements provided by LNA substitutions. Contrary to previous studies, our analysis shows that the origin of the improved stability is almost exclusively a net reduction (ΔΔS° < 0) in the entropy gain accompanying the helix-to-coil transition, with the magnitude of the reduction dependent on the type of nucleobase and its base pairing properties. This knowledge and our average measured value for ΔC(p) of 42 ± 11 cal mol(-1) K(-1) bp(-1) are then used to derive a new model that accurately predicts melting thermodynamics and the increased melting temperature (ΔT(m)) of heteroduplexes formed between an unmodified DNA strand and a complementary strand containing any number and configuration of standard LNA nucleotides A, T, C, and G. This single-base thermodynamic (SBT) model requires only four entropy-related parameters in addition to ΔC(p). Finally, DSC data for 20 duplexes containing the nucleobase-modified LNAs 2-aminoadenine (D) and 2-thiothymine (H) are reported and used to determine SBT model parameters for D and H. The data and model suggest that along with the greater stability enhancement provided by D and H bases relative to their corresponding A and T analogues, the unique pseudocomplementary properties of D-H base pairs may make their use appealing for in vitro and in vivo applications.

  16. Differential scanning calorimetry of coal

    NASA Technical Reports Server (NTRS)

    Gold, P. I.

    1978-01-01

    Differential scanning calorimetry studies performed during the first year of this project demonstrated the occurrence of exothermic reactions associated with the production of volatile matter in or near the plastic region. The temperature and magnitude of the exothermic peak were observed to be strongly affected by the heating rate, sample mass and, to a lesser extent, by sample particle size. Thermal properties also were found to be influenced by oxidation of the coal sample due to weathering effects.

  17. Molecular-dynamics simulation of the heat capacity for nickel and copper clusters: Shape and size effects

    SciTech Connect

    Gafner, S. L.; Redel, L. V.; Gafner, Yu. Ya.

    2012-03-15

    We have investigated the heat capacity of ideal Cu and Ni fcc clusters with diameters from 2 to 6 nm in the temperature range 200-800 K by the molecular-dynamics method using a modified tight-binding potential. Our analysis has shown consistency with the experimental results at temperatures of 200-300 K. The data obtained are also indicative of several regularities that are in agreement with the analytical calculations. We have concluded from the results of our computer simulations that the heat capacity in the case of isolated free clusters can exceed that of a bulk material, with this difference decreasing as the nanoparticle grows proportionally to the reduction in the fraction of surface atoms. The excess of the heat capacity for ideal copper and nickel nanoclusters with D = 6 nm at T = 200 K has been found to be 10% and 13%, respectively. Consequently, the large heat capacities of copper and nickel nanostructures observed in some real experiments cannot be related to the characteristics of free clusters. We hypothesize that these properties of a nanomaterial depend on the degree of agglomeration of its constituent particles, i.e., the surfaces and interphase boundaries of interconnected nanoclusters can have a strong effect. To test this hypothesis, we took nickel and copper clusters of various sizes (4000-7200 atoms) produced through the simulation of condensation from the gas phase. At high temperatures, we failed to adequately assess the role of the interphase boundaries in calculating the heat capacity of nanoparticles. The reason was the mass diffusion of Ni or Cu atoms to impart an energetically more favorable shape and structure to the synthesized clusters. At low temperatures, the heat capacity of such clusters exceeded that of clusters with an ideal shape and structure by a value from 3.2% to 10.6%. We have concluded that the Ni and Cu clusters produced in real experiments cannot be applied in devices using the thermal energy of such clusters without

  18. Differential Scanning Calorimetry (DSC) for planetary surface exploration

    NASA Technical Reports Server (NTRS)

    Gooding, James L.; Ming, Douglas W.

    1993-01-01

    Differential Scanning Calorimetry (DSC) is the quantitative measurement of the enthalpic response of a material to a systematic change in temperature. In practice, the heat flow into or outward from a sample is measured as the sample is heated or cooled at a carefully controlled rate. DSC superficially resembles, but is not the same as differential thermal analysis (DTA), which is the measurement of temperature differences between a sample and reference material as the pair is heated or cooled. The fundamental properties measured by DSC are enthalpies and temperatures of phase transitions and constant-pressure heat capacities. Depending on instrument design and the nature of the sample, high-quality DSC analyses can be obtained on only a few milligrams of solid materials. DSC requires direct contact with the sample and generally degrades, if not destroys, the sample as a consequence of heating. In laboratory applications, it is common to subject the gaseous effluent from the DSC to analysis by a separate evolved-gas analyzer (EGA).

  19. Mapping glycoside hydrolase substrate subsites by isothermal titration calorimetry

    PubMed Central

    Zolotnitsky, Gennady; Cogan, Uri; Adir, Noam; Solomon, Vered; Shoham, Gil; Shoham, Yuval

    2004-01-01

    Relating thermodynamic parameters to structural and biochemical data allows a better understanding of substrate binding and its contribution to catalysis. The analysis of the binding of carbohydrates to proteins or enzymes is a special challenge because of the multiple interactions and forces involved. Isothermal titration calorimetry (ITC) provides a direct measure of binding enthalpy (ΔHa) and allows the determination of the binding constant (free energy), entropy, and stoichiometry. In this study, we used ITC to elucidate the binding thermodynamics of xylosaccharides for two xylanases of family 10 isolated from Geobacillus stearothermophilus T-6. The change in the heat capacity of binding (ΔCp = ΔH/ΔT) for xylosaccharides differing in one sugar unit was determined by using ITC measurements at different temperatures. Because hydrophobic stacking interactions are associated with negative ΔCp, the data allow us to predict the substrate binding preference in the binding subsites based on the crystal structure of the enzyme. The proposed positional binding preference was consistent with mutants lacking aromatic binding residues at different subsites and was also supported by tryptophan fluorescence analysis. PMID:15277671

  20. Condensed complexes and the calorimetry of cholesterol-phospholipid bilayers.

    PubMed Central

    Anderson, T G; McConnell, H M

    2001-01-01

    A recent thermodynamic model describes a reversible reaction between cholesterol (C) and phospholipid (P) to form a condensed complex C(nq)P(np). Here q and p are relatively prime integers used to define the stoichiometric composition, and n is a measure of cooperativity. The present study applies this model to the scanning calorimetry of binary mixtures of cholesterol and saturated phosphatidylcholines, especially work by McElhaney and collaborators. These mixtures generally show two heat capacity peaks, a sharp peak and a broad peak. The sharp heat absorption is largely due to the chain melting transition of pure phospholipid. In the present work the broad heat absorption is attributed to the thermal dissociation of complexes. The best fits of the model to the data require the complex formation to be highly cooperative, with cooperativity n = 12. Detailed comparisons are made between model calculations and calorimetric data. A number of unusual features of the data arise naturally in the model. The principal discrepancy between the calculations and experimental results is a spurious calculated heat absorption peak. This discrepancy is related to the reported relative magnitudes of the integrated broad and sharp heat absorption curves. PMID:11606290

  1. Laser Measurement of the Speed of Sound in Gases: A Novel Approach to Determining Heat Capacity Ratios and Gas Composition

    ERIC Educational Resources Information Center

    Baum, J. Clayton; Compton, R. N.; Feigerle, Charles S.

    2008-01-01

    The speed of sound is measured in several gases using a pulsed laser to create a micro-spark on a carbon rod and a microphone connected to a digital oscilloscope to measure the time-of-flight of the resulting shockwave over a known distance. These data are used to calculate the heat capacity ratios (C[subscript p]/C[subscript V]) of the gases and…

  2. Mössbauer spectroscopy, magnetization, magnetic susceptibility, and low temperature heat capacity of α-Na₂NpO₄.

    PubMed

    Smith, Anna L; Hen, Amir; Magnani, Nicola; Sanchez, Jean-Pierre; Colineau, Eric; Griveau, Jean-Christophe; Raison, Philippe E; Caciuffo, Roberto; Konings, Rudy J M; Cheetham, Anthony K

    2016-03-01

    The physical and chemical properties at low temperatures of hexavalent disodium neptunate α-Na2NpO4 are investigated for the first time in this work using Mössbauer spectroscopy, magnetization, magnetic susceptibility, and heat capacity measurements. The Np(VI) valence state is confirmed by the isomer shift value of the Mössbauer spectra, and the local structural environment around the neptunium cation is related to the fitted quadrupole coupling constant and asymmetry parameters. Moreover, magnetic hyperfine splitting is reported below 12.5 K, which could indicate magnetic ordering at this temperature. This interpretation is further substantiated by the existence of a λ-peak at 12.5 K in the heat capacity curve, which is shifted to lower temperatures with the application of a magnetic field, suggesting antiferromagnetic ordering. However, the absence of any anomaly in the magnetization and magnetic susceptibility data shows that the observed transition is more intricate. In addition, the heat capacity measurements suggest the existence of a Schottky-type anomaly above 15 K associated with a low-lying electronic doublet found about 60 cm(-1) above the ground state doublet. The possibility of a quadrupolar transition associated with a ground state pseudoquartet is thereafter discussed. The present results finally bring new insights into the complex magnetic and electronic peculiarities of α-Na2NpO4.

  3. Mössbauer spectroscopy, magnetization, magnetic susceptibility, and low temperature heat capacity of α-Na₂NpO₄.

    PubMed

    Smith, Anna L; Hen, Amir; Magnani, Nicola; Sanchez, Jean-Pierre; Colineau, Eric; Griveau, Jean-Christophe; Raison, Philippe E; Caciuffo, Roberto; Konings, Rudy J M; Cheetham, Anthony K

    2016-03-01

    The physical and chemical properties at low temperatures of hexavalent disodium neptunate α-Na2NpO4 are investigated for the first time in this work using Mössbauer spectroscopy, magnetization, magnetic susceptibility, and heat capacity measurements. The Np(VI) valence state is confirmed by the isomer shift value of the Mössbauer spectra, and the local structural environment around the neptunium cation is related to the fitted quadrupole coupling constant and asymmetry parameters. Moreover, magnetic hyperfine splitting is reported below 12.5 K, which could indicate magnetic ordering at this temperature. This interpretation is further substantiated by the existence of a λ-peak at 12.5 K in the heat capacity curve, which is shifted to lower temperatures with the application of a magnetic field, suggesting antiferromagnetic ordering. However, the absence of any anomaly in the magnetization and magnetic susceptibility data shows that the observed transition is more intricate. In addition, the heat capacity measurements suggest the existence of a Schottky-type anomaly above 15 K associated with a low-lying electronic doublet found about 60 cm(-1) above the ground state doublet. The possibility of a quadrupolar transition associated with a ground state pseudoquartet is thereafter discussed. The present results finally bring new insights into the complex magnetic and electronic peculiarities of α-Na2NpO4. PMID:26823458

  4. Low-temperature heat capacities and standard molar enthalpy of formation of pyridine-2,6-dicarboxylic acid

    NASA Astrophysics Data System (ADS)

    Yang, Wei-Wei; Di, You-Ying; Kong, Yu-Xia; Tan, Zhi-Cheng

    2010-06-01

    This paper reports that the low-temperature heat capacities of pyridine-2,6-dicarboxylic acid were measured by a precision automatic calorimeter over a temperature range from 78 K to 380 K. A polynomial equation of heat capacities as a function of temperature was fitted by the least-squares method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at intervals of 5 K. The constant-volume energy of combustion of the compound was determined by means of a precision rotating-bomb combustion calorimeter. The standard molar enthalpy of combustion of the compound was derived from the constant-volume energy of combustion. The standard molar enthalpy of formation of the compound was calculated from a combination of the datum of the standard molar enthalpy of combustion of the compound with other auxiliary thermodynamic quantities through a Hess thermochemical cycle.

  5. Simultaneous measurement of thermal conductivity and heat capacity of bulk and thin film materials using frequency-dependent transient thermoreflectance method.

    PubMed

    Liu, Jun; Zhu, Jie; Tian, Miao; Gu, Xiaokun; Schmidt, Aaron; Yang, Ronggui

    2013-03-01

    The increasing interest in the extraordinary thermal properties of nanostructures has led to the development of various measurement techniques. Transient thermoreflectance method has emerged as a reliable measurement technique for thermal conductivity of thin films. In this method, the determination of thermal conductivity usually relies much on the accuracy of heat capacity input. For new nanoscale materials with unknown or less-understood thermal properties, it is either questionable to assume bulk heat capacity for nanostructures or difficult to obtain the bulk form of those materials for a conventional heat capacity measurement. In this paper, we describe a technique for simultaneous measurement of thermal conductivity κ and volumetric heat capacity C of both bulk and thin film materials using frequency-dependent time-domain thermoreflectance (TDTR) signals. The heat transfer model is analyzed first to find how different combinations of κ and C determine the frequency-dependent TDTR signals. Simultaneous measurement of thermal conductivity and volumetric heat capacity is then demonstrated with bulk Si and thin film SiO2 samples using frequency-dependent TDTR measurement. This method is further testified by measuring both thermal conductivity and volumetric heat capacity of novel hybrid organic-inorganic thin films fabricated using the atomic∕molecular layer deposition. Simultaneous measurement of thermal conductivity and heat capacity can significantly shorten the development∕discovery cycle of novel materials.

  6. Simultaneous measurement of thermal conductivity and heat capacity of bulk and thin film materials using frequency-dependent transient thermoreflectance method

    NASA Astrophysics Data System (ADS)

    Liu, Jun; Zhu, Jie; Tian, Miao; Gu, Xiaokun; Schmidt, Aaron; Yang, Ronggui

    2013-03-01

    The increasing interest in the extraordinary thermal properties of nanostructures has led to the development of various measurement techniques. Transient thermoreflectance method has emerged as a reliable measurement technique for thermal conductivity of thin films. In this method, the determination of thermal conductivity usually relies much on the accuracy of heat capacity input. For new nanoscale materials with unknown or less-understood thermal properties, it is either questionable to assume bulk heat capacity for nanostructures or difficult to obtain the bulk form of those materials for a conventional heat capacity measurement. In this paper, we describe a technique for simultaneous measurement of thermal conductivity κ and volumetric heat capacity C of both bulk and thin film materials using frequency-dependent time-domain thermoreflectance (TDTR) signals. The heat transfer model is analyzed first to find how different combinations of κ and C determine the frequency-dependent TDTR signals. Simultaneous measurement of thermal conductivity and volumetric heat capacity is then demonstrated with bulk Si and thin film SiO2 samples using frequency-dependent TDTR measurement. This method is further testified by measuring both thermal conductivity and volumetric heat capacity of novel hybrid organic-inorganic thin films fabricated using the atomic/molecular layer deposition. Simultaneous measurement of thermal conductivity and heat capacity can significantly shorten the development/discovery cycle of novel materials.

  7. Ambient isobaric heat capacities, C(p,m), for ionic solids and liquids: an application of volume-based thermodynamics (VBT).

    PubMed

    Glasser, Leslie; Jenkins, H Donald Brooke

    2011-09-01

    Thermodynamic properties, such as standard entropy, among others, have been shown to correlate well with formula volume, V(m), thus permitting prediction of these properties on the basis of chemical formula and density alone, with no structural detail required. We have termed these procedures "volume-based thermodynamics" (VBT). We here extend these studies to ambient isobaric heat capacities, C(p,m), of a wide range of materials. We show that heat capacity is strongly linearly correlated with formula volume for large sets of minerals, for ionic solids in general, and for ionic liquids and that the results demonstrate that the Neumann-Kopp rule (additivity of heat capacity contributions per atom) is widely valid for ionic materials, but the smaller heat capacity contribution per unit volume for ionic liquids is noted and discussed. Using these correlations, it is possible to predict values of ambient (298 K) heat capacities quite simply. We also show that the heat capacity contribution of water molecules of crystallization is remarkably constant, at 41.3 ± 4.7 J K(-1) (mol of water)(-1), so that the heat capacities of various hydrates may be reliably estimated from the values of their chemical formula neighbors. This result complements similar observations that we have reported for other thermodynamic differences of hydrates. PMID:21812409

  8. Stepwise heat-capacity change at an orientation transition in liquid crystals

    NASA Astrophysics Data System (ADS)

    Aya, Satoshi; Sasaki, Yuji; Pociecha, Damian; Araoka, Fumito; Górecka, Ewa; Ema, Kenji; Muševič, Igor; Orihara, Hiroshi; Ishikawa, Ken; Takezoe, Hideo

    2014-02-01

    During a phase transition in a bulk material, heat is exchanged with matter to balance the changes in the internal energy and the entropy of the system. Here we report on the thermal detection of a surface-mediated anchoring transition, a spontaneous and discontinuous orientation change between planar (P) and homeotropic (H) alignments within a single nematic phase by changing temperature. In this case a stepwise change in the heat flow, similar to a glass transition, is observed by means of high-resolution differential scanning calorimetry. We found that the jump in the specific heat does not depend on the sample volume, although the contribution of molecules in the vicinity of surfaces, which trigger the transition, becomes less with increasing the sample volume. This means that different molecular orientations, H and P, with respect to surfaces have different thermodynamic free energies. We also address why the anchoring transition occurs by means of grazing-incidence x-ray diffraction measurements, which clearly reveal the formation of quasismectic layers parallel to surfaces in the nematic phase.

  9. Stepwise heat-capacity change at an orientation transition in liquid crystals.

    PubMed

    Aya, Satoshi; Sasaki, Yuji; Pociecha, Damian; Araoka, Fumito; Górecka, Ewa; Ema, Kenji; Muševič, Igor; Orihara, Hiroshi; Ishikawa, Ken; Takezoe, Hideo

    2014-02-01

    During a phase transition in a bulk material, heat is exchanged with matter to balance the changes in the internal energy and the entropy of the system. Here we report on the thermal detection of a surface-mediated anchoring transition, a spontaneous and discontinuous orientation change between planar (P) and homeotropic (H) alignments within a single nematic phase by changing temperature. In this case a stepwise change in the heat flow, similar to a glass transition, is observed by means of high-resolution differential scanning calorimetry. We found that the jump in the specific heat does not depend on the sample volume, although the contribution of molecules in the vicinity of surfaces, which trigger the transition, becomes less with increasing the sample volume. This means that different molecular orientations, H and P, with respect to surfaces have different thermodynamic free energies. We also address why the anchoring transition occurs by means of grazing-incidence x-ray diffraction measurements, which clearly reveal the formation of quasismectic layers parallel to surfaces in the nematic phase.

  10. Non-isothermal decomposition kinetics, heat capacity and thermal safety of 37.2/44/16/2.2/0.2/0.4-GAP/CL-20/Al/N-100/PCA/auxiliaries mixture.

    PubMed

    Zhang, Jiao-Qiang; Gao, Hong-Xu; Ji, Tie-Zheng; Xu, Kang-Zhen; Hu, Rong-Zu

    2011-10-15

    The specific heat capacity (C(p)) of 37.2/44/16/2.2/0.2/0.4-GAP/CL-20/Al/N-100/PCA/auxiliaries mixture was determined with the continuous C(p) mode of microcalorimeter. The equation of C(p) with temperature was obtained. The standard molar heat capacity of GAP/CL-20/Al/N-100/PCA/auxiliaries mixture was 1.225 J mol(-1)K(-1) at 298.15K. With the help of the peak temperature (T(p)) from the non-isothermal DTG curves of the mixture at different heating rates (β), the apparent activation energy (E(k) and E(o)) and pre-exponential constant (A(K)) of thermal decomposition reaction obtained by Kissinger's method and Ozawa's method. Using density (ρ) and thermal conductivity (λ), the decomposition heat (Q(d), taking half-explosion heat), Zhang-Hu-Xie-Li's formula, the values (T(e0) and T(p0)) of T(e) and T(p) corresponding to β → 0, thermal explosion temperature (T(be) and T(bp)), adiabatic time-to-explosion (t(TIad)), 50% drop height (H(50)) of impact sensitivity, and critical temperature of hot-spot initiation (T(cr,hot spot)) of thermal explosion of the mixture were calculated. The following results of evaluating the thermal safety of the mixture were obtained: T(be) = 441.64K, T(bp) = 461.66 K, t(Tlad) = 78.0 s (n = 2), t(Tlad) = 74.87 s (n = 1), t(Tlad) = 71.85 s (n = 0), H(50) = 21.33 cm. PMID:21820242

  11. Non-isothermal decomposition kinetics, heat capacity and thermal safety of 37.2/44/16/2.2/0.2/0.4-GAP/CL-20/Al/N-100/PCA/auxiliaries mixture.

    PubMed

    Zhang, Jiao-Qiang; Gao, Hong-Xu; Ji, Tie-Zheng; Xu, Kang-Zhen; Hu, Rong-Zu

    2011-10-15

    The specific heat capacity (C(p)) of 37.2/44/16/2.2/0.2/0.4-GAP/CL-20/Al/N-100/PCA/auxiliaries mixture was determined with the continuous C(p) mode of microcalorimeter. The equation of C(p) with temperature was obtained. The standard molar heat capacity of GAP/CL-20/Al/N-100/PCA/auxiliaries mixture was 1.225 J mol(-1)K(-1) at 298.15K. With the help of the peak temperature (T(p)) from the non-isothermal DTG curves of the mixture at different heating rates (β), the apparent activation energy (E(k) and E(o)) and pre-exponential constant (A(K)) of thermal decomposition reaction obtained by Kissinger's method and Ozawa's method. Using density (ρ) and thermal conductivity (λ), the decomposition heat (Q(d), taking half-explosion heat), Zhang-Hu-Xie-Li's formula, the values (T(e0) and T(p0)) of T(e) and T(p) corresponding to β → 0, thermal explosion temperature (T(be) and T(bp)), adiabatic time-to-explosion (t(TIad)), 50% drop height (H(50)) of impact sensitivity, and critical temperature of hot-spot initiation (T(cr,hot spot)) of thermal explosion of the mixture were calculated. The following results of evaluating the thermal safety of the mixture were obtained: T(be) = 441.64K, T(bp) = 461.66 K, t(Tlad) = 78.0 s (n = 2), t(Tlad) = 74.87 s (n = 1), t(Tlad) = 71.85 s (n = 0), H(50) = 21.33 cm.

  12. Adiabatic computation: A toy model

    NASA Astrophysics Data System (ADS)

    Ribeiro, Pedro; Mosseri, Rémy

    2006-10-01

    We discuss a toy model for adiabatic quantum computation which displays some phenomenological properties expected in more realistic implementations. This model has two free parameters: the adiabatic evolution parameter s and the α parameter, which emulates many-variable constraints in the classical computational problem. The proposed model presents, in the s-α plane, a line of first-order quantum phase transition that ends at a second-order point. The relation between computation complexity and the occurrence of quantum phase transitions is discussed. We analyze the behavior of the ground and first excited states near the quantum phase transition, the gap, and the entanglement content of the ground state.

  13. Adiabatic computation: A toy model

    SciTech Connect

    Ribeiro, Pedro; Mosseri, Remy

    2006-10-15

    We discuss a toy model for adiabatic quantum computation which displays some phenomenological properties expected in more realistic implementations. This model has two free parameters: the adiabatic evolution parameter s and the {alpha} parameter, which emulates many-variable constraints in the classical computational problem. The proposed model presents, in the s-{alpha} plane, a line of first-order quantum phase transition that ends at a second-order point. The relation between computation complexity and the occurrence of quantum phase transitions is discussed. We analyze the behavior of the ground and first excited states near the quantum phase transition, the gap, and the entanglement content of the ground state.

  14. Adiabatic evolution of plasma equilibrium

    PubMed Central

    Grad, H.; Hu, P. N.; Stevens, D. C.

    1975-01-01

    A new theory of plasma equilibrium is introduced in which adiabatic constraints are specified. This leads to a mathematically nonstandard structure, as compared to the usual equilibrium theory, in which prescription of pressure and current profiles leads to an elliptic partial differential equation. Topologically complex configurations require further generalization of the concept of adiabaticity to allow irreversible mixing of plasma and magnetic flux among islands. Matching conditions across a boundary layer at the separatrix are obtained from appropriate conservation laws. Applications are made to configurations with planned islands (as in Doublet) and accidental islands (as in Tokamaks). Two-dimensional, axially symmetric, helically symmetric, and closed line equilibria are included. PMID:16578729

  15. Increment of specific heat capacity of solar salt with SiO2 nanoparticles

    PubMed Central

    2014-01-01

    Thermal energy storage (TES) is extremely important in concentrated solar power (CSP) plants since it represents the main difference and advantage of CSP plants with respect to other renewable energy sources such as wind, photovoltaic, etc. CSP represents a low-carbon emission renewable source of energy, and TES allows CSP plants to have energy availability and dispatchability using available industrial technologies. Molten salts are used in CSP plants as a TES material because of their high operational temperature and stability of up to 500°C. Their main drawbacks are their relative poor thermal properties and energy storage density. A simple cost-effective way to improve thermal properties of fluids is to dope them with nanoparticles, thus obtaining the so-called salt-based nanofluids. In this work, solar salt used in CSP plants (60% NaNO3 + 40% KNO3) was doped with silica nanoparticles at different solid mass concentrations (from 0.5% to 2%). Specific heat was measured by means of differential scanning calorimetry (DSC). A maximum increase of 25.03% was found at an optimal concentration of 1 wt.% of nanoparticles. The size distribution of nanoparticle clusters present in the salt at each concentration was evaluated by means of scanning electron microscopy (SEM) and image processing, as well as by means of dynamic light scattering (DLS). The cluster size and the specific surface available depended on the solid content, and a relationship between the specific heat increment and the available particle surface area was obtained. It was proved that the mechanism involved in the specific heat increment is based on a surface phenomenon. Stability of samples was tested for several thermal cycles and thermogravimetric analysis at high temperature was carried out, the samples being stable. PACS 65.: Thermal properties of condensed matter; 65.20.-w: Thermal properties of liquids; 65.20.Jk: Studies of thermodynamic properties of specific liquids PMID:25346648

  16. Deconvolution of complex differential scanning calorimetry profiles for protein transitions under kinetic control.

    PubMed

    Toledo-Núñez, Citlali; Vera-Robles, L Iraís; Arroyo-Maya, Izlia J; Hernández-Arana, Andrés

    2016-09-15

    A frequent outcome in differential scanning calorimetry (DSC) experiments carried out with large proteins is the irreversibility of the observed endothermic effects. In these cases, DSC profiles are analyzed according to methods developed for temperature-induced denaturation transitions occurring under kinetic control. In the one-step irreversible model (native → denatured) the characteristics of the observed single-peaked endotherm depend on the denaturation enthalpy and the temperature dependence of the reaction rate constant, k. Several procedures have been devised to obtain the parameters that determine the variation of k with temperature. Here, we have elaborated on one of these procedures in order to analyze more complex DSC profiles. Synthetic data for a heat capacity curve were generated according to a model with two sequential reactions; the temperature dependence of each of the two rate constants involved was determined, according to the Eyring's equation, by two fixed parameters. It was then shown that our deconvolution procedure, by making use of heat capacity data alone, permits to extract the parameter values that were initially used. Finally, experimental DSC traces showing two and three maxima were analyzed and reproduced with relative success according to two- and four-step sequential models. PMID:27402175

  17. Deconvolution of complex differential scanning calorimetry profiles for protein transitions under kinetic control.

    PubMed

    Toledo-Núñez, Citlali; Vera-Robles, L Iraís; Arroyo-Maya, Izlia J; Hernández-Arana, Andrés

    2016-09-15

    A frequent outcome in differential scanning calorimetry (DSC) experiments carried out with large proteins is the irreversibility of the observed endothermic effects. In these cases, DSC profiles are analyzed according to methods developed for temperature-induced denaturation transitions occurring under kinetic control. In the one-step irreversible model (native → denatured) the characteristics of the observed single-peaked endotherm depend on the denaturation enthalpy and the temperature dependence of the reaction rate constant, k. Several procedures have been devised to obtain the parameters that determine the variation of k with temperature. Here, we have elaborated on one of these procedures in order to analyze more complex DSC profiles. Synthetic data for a heat capacity curve were generated according to a model with two sequential reactions; the temperature dependence of each of the two rate constants involved was determined, according to the Eyring's equation, by two fixed parameters. It was then shown that our deconvolution procedure, by making use of heat capacity data alone, permits to extract the parameter values that were initially used. Finally, experimental DSC traces showing two and three maxima were analyzed and reproduced with relative success according to two- and four-step sequential models.

  18. Elementary examples of adiabatic invariance

    NASA Astrophysics Data System (ADS)

    Crawford, Frank S.

    1990-04-01

    Simple classical one-dimensional systems subject to adiabatic (gradual) perturbations are examined. The first examples are well known: the adiabatic invariance of the product Eτ of energy E and period τ for the simple pendulum and for the simple harmonic oscillator. Next, the adiabatic invariants of the vertical bouncer are found—a ball bouncing elastically from the floor of a rising elevator having slowly varying velocity and acceleration. These examples lead to consideration of adiabatic invariance for one-dimensional systems with potentials of the form V=axn, with a=a(t) slowly varying in time. Then, the horizontal bouncer is considered—a mass sliding on a smooth floor, bouncing back and forth between two impenetrable walls, one of which is slowly moving. This example is generalized to a particle in a bound state of a general potential with one slowly moving ``turning point.'' Finally, circular motion of a charged particle in a magnetic field slowly varying in time under three different configurations is considered: (a) a free particle in a uniform field; (b) a free particle in a nonuniform ``betatron'' field; and (c) a particle constrained to a circular orbit in a uniform field.

  19. Pressure Oscillations in Adiabatic Compression

    ERIC Educational Resources Information Center

    Stout, Roland

    2011-01-01

    After finding Moloney and McGarvey's modified adiabatic compression apparatus, I decided to insert this experiment into my physical chemistry laboratory at the last minute, replacing a problematic experiment. With insufficient time to build the apparatus, we placed a bottle between two thick textbooks and compressed it with a third textbook forced…

  20. Transitionless driving on adiabatic search algorithm

    SciTech Connect

    Oh, Sangchul; Kais, Sabre

    2014-12-14

    We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.

  1. Propogation of the 1(mu) High-Power Beam from a Solid-State Heat-Capacity Laser

    SciTech Connect

    Dane, C B; Moriss, J R; Rubenchik, A M; Boley, C D

    2002-06-25

    A solid-state laser system, used as a directed energy defensive weapon, possesses many compelling logistical advantages over high-average-power chemical laser systems. As an electrically-powered laser, it uses no chemicals, generates no effluents, and requires no specialized logistics support--the laser is recharged by running the vehicle engine. It provides stealth, having low signature operation without the generation of temperature, smoke, or visible light. It is silent in operation, limited only by the onboard vehicle electrical charging and propulsion system. Using the heat-capacity mode of operation, scaling of average power from a solid-state laser has been demonstrated beyond 10kW and work in progress will result in the demonstration of a 100 kW solid-state heat-capacity laser (SSHCL). The heat-capacity approach provides unprecedented power-to-weight ratios in a compact platform that is readily adapted to mobile operation. A conceptual engineering and packaging study has resulted in a 100kW SSHCL design that we believe can be integrated onto a hybrid-electric HMMWV or onto new vehicle designs emerging from the future combat system (FCS) development. 100 kW has been proposed as a power level that demonstrates a significant scaling beyond what has been demonstrated for a solid-state laser system and which could have a significant lethality against target sets of interest. However, the characteristics of heat-capacity laser scaling are such that designs with output powers in excess of 1 MW can be readily formulated. An important question when addressing the military utility of a high-power solid-state laser system is that of the required average power during engagement with a target. The answer to this question is complex, involving atmospheric propagation, beam interaction with the target, and the damage response of the target. Successful target shoot-downs with the THEL deuterium fluoride (DF) laser system provide what is probably the best understanding of

  2. Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation

    NASA Astrophysics Data System (ADS)

    Ji, Pengfei; Zhang, Yuwen

    2016-03-01

    On the basis of ab initio quantum mechanics (QM) calculation, the obtained electron heat capacity is implemented into energy equation of electron subsystem in two temperature model (TTM). Upon laser irradiation on the copper film, energy transfer from the electron subsystem to the lattice subsystem is modeled by including the electron-phonon coupling factor in molecular dynamics (MD) and TTM coupled simulation. The results show temperature and thermal melting difference between the QM-MD-TTM integrated simulation and pure MD-TTM coupled simulation. The successful construction of the QM-MD-TTM integrated simulation provides a general way that is accessible to other metals in laser heating.

  3. Compressibility, thermal expansion coefficient and heat capacity of CH4 and CO2 hydrate mixtures using molecular dynamics simulations.

    PubMed

    Ning, F L; Glavatskiy, K; Ji, Z; Kjelstrup, S; H Vlugt, T J

    2015-01-28

    Understanding the thermal and mechanical properties of CH4 and CO2 hydrates is essential for the replacement of CH4 with CO2 in natural hydrate deposits as well as for CO2 sequestration and storage. In this work, we present isothermal compressibility, isobaric thermal expansion coefficient and specific heat capacity of fully occupied single-crystal sI-CH4 hydrates, CO2 hydrates and hydrates of their mixture using molecular dynamics simulations. Eight rigid/nonpolarisable water interaction models and three CH4 and CO2 interaction potentials were selected to examine the atomic interactions in the sI hydrate structure. The TIP4P/2005 water model combined with the DACNIS united-atom CH4 potential and TraPPE CO2 rigid potential were found to be suitable molecular interaction models. Using these molecular models, the results indicate that both the lattice parameters and the compressibility of the sI hydrates agree with those from experimental measurements. The calculated bulk modulus for any mixture ratio of CH4 and CO2 hydrates varies between 8.5 GPa and 10.4 GPa at 271.15 K between 10 and 100 MPa. The calculated thermal expansion and specific heat capacities of CH4 hydrates are also comparable with experimental values above approximately 260 K. The compressibility and expansion coefficient of guest gas mixture hydrates increase with an increasing ratio of CO2-to-CH4, while the bulk modulus and specific heat capacity exhibit the opposite trend. The presented results for the specific heat capacities of 2220-2699.0 J kg(-1) K(-1) for any mixture ratio of CH4 and CO2 hydrates are the first reported so far. These computational results provide a useful database for practical natural gas recovery from CH4 hydrates in deep oceans where CO2 is considered to replace CH4, as well as for phase equilibrium and mechanical stability of gas hydrate-bearing sediments. The computational schemes also provide an appropriate balance between computational accuracy and cost for predicting

  4. Heat capacity of the frustrated magnetic pyrochlores Gd2Zr2O7 and Gd2Hf2O7

    NASA Astrophysics Data System (ADS)

    Durand, Alice M.; Klavins, Peter; Corruccini, L. R.

    2008-06-01

    The heat capacities of Gd2Zr2O7 and Gd2Hf2O7 both show sharp peaks in the vicinity of 0.77 K, consistent with the existence of long range magnetic order. They are superimposed in both cases on broader maxima centered at approximately 1 K, presumably due to short range spin correlations. Both compounds exhibit antiferromagnetic interactions, with Weiss constants of approximately -7 K. Comparisons are made to earlier results for the isomorphic compounds Gd2Ti2O7 and Gd2Sn2O7.

  5. Thermal sensitivity analysis data utilizing Q10 scanning, Boltzmann slope factor and the change of molar heat capacity.

    PubMed

    Kang, KyeongJin

    2016-03-01

    As a further elaboration of the recently devised Q10 scanning analysis ("Exceptionally high thermal sensitivity of rattlesnake TRPA1 correlates with peak current amplitude" [1]), the interval between current data points at two temperatures was shortened and the resulting parameters representing thermal sensitivities such as peak Q10s and temperature points of major thermosensitivity events are presented for two TRPA1 orthologues from rattlesnakes and boas. In addition, the slope factors from Boltzmann fitting and the change of molar heat capacity of temperature-evoked currents were evaluated and compared as alternative ways of thermal sensitivity appraisal of TRPA1 orthologues.

  6. Thermal sensitivity analysis data utilizing Q10 scanning, Boltzmann slope factor and the change of molar heat capacity

    PubMed Central

    Kang, KyeongJin

    2016-01-01

    As a further elaboration of the recently devised Q10 scanning analysis (“Exceptionally high thermal sensitivity of rattlesnake TRPA1 correlates with peak current amplitude” [1]), the interval between current data points at two temperatures was shortened and the resulting parameters representing thermal sensitivities such as peak Q10s and temperature points of major thermosensitivity events are presented for two TRPA1 orthologues from rattlesnakes and boas. In addition, the slope factors from Boltzmann fitting and the change of molar heat capacity of temperature-evoked currents were evaluated and compared as alternative ways of thermal sensitivity appraisal of TRPA1 orthologues. PMID:26870758

  7. Studies in Chaotic adiabatic dynamics

    SciTech Connect

    Jarzynski, C.

    1994-01-01

    Chaotic adiabatic dynamics refers to the study of systems exhibiting chaotic evolution under slowly time-dependent equations of motion. In this dissertation the author restricts his attention to Hamiltonian chaotic adiabatic systems. The results presented are organized around a central theme, namely, that the energies of such systems evolve diffusively. He begins with a general analysis, in which he motivates and derives a Fokker-Planck equation governing this process of energy diffusion. He applies this equation to study the {open_quotes}goodness{close_quotes} of an adiabatic invariant associated with chaotic motion. This formalism is then applied to two specific examples. The first is that of a gas of noninteracting point particles inside a hard container that deforms slowly with time. Both the two- and three-dimensional cases are considered. The results are discussed in the context of the Wall Formula for one-body dissipation in nuclear physics, and it is shown that such a gas approaches, asymptotically with time, an exponential velocity distribution. The second example involves the Fermi mechanism for the acceleration of cosmic rays. Explicit evolution equations are obtained for the distribution of cosmic ray energies within this model, and the steady-state energy distribution that arises when this equation is modified to account for the injection and removal of cosmic rays is discussed. Finally, the author re-examines the multiple-time-scale approach as applied to the study of phase space evolution under a chaotic adiabatic Hamiltonian. This leads to a more rigorous derivation of the above-mentioned Fokker-Planck equation, and also to a new term which has relevance to the problem of chaotic adiabatic reaction forces (the forces acting on slow, heavy degrees of freedom due to their coupling to light, fast chaotic degrees).

  8. Calculation of difference in heat capacities at constant pressure and constant volume with the aid of the empirical Nernst and Lindemann equation

    NASA Astrophysics Data System (ADS)

    Leontev, K. L.

    1981-07-01

    An expression is obtained for heat capacity differences of materials at a constant pressure and volume, on the basis of the rigorous thermodynamic equation (Kittel, 1976), and by using the Grueneisen law (Kikoin and Kikoin, 1976) of constancy of the ratio of the cubic expansion coefficient to the molar heat capacity. Conditions are determined, where the empirical Nernst and Lindemann (Filippov, 1967) equation is regarded as rigorous.

  9. Low-temperature heat capacity upon the transition from paramagnetic to ferromagnetic Heusler alloys Fe2 MeAl ( Me = Ti, V, Cr, Mn, Fe, Co, Ni)

    NASA Astrophysics Data System (ADS)

    Kourov, N. I.; Marchenkov, V. V.; Korolev, A. V.; Lukoyanov, A. V.

    2016-07-01

    The heat capacity of band magnets Fe2 MeAl ( Me = Ti, V, Cr, Mn, Fe, Co, Ni) ordered in crystal structure L21 has been measured in the range 2 K ≤ T ≤ 50 K. The dependences of the Debye temperature ΘD, the Sommerfeld coefficient γ, and the temperature-independent contribution to heat capacity C 0 on the number of valence electrons z in the alloys have been determined.

  10. Effects of Monovalent Anions on a Temperature-dependent Heat Capacity Change for E. coli SSB Tetramer Binding to Single Stranded DNA†

    PubMed Central

    Kozlov, Alexander G.; Lohman, Timothy M.

    2008-01-01

    We have previously shown that the linkage of temperature-dependent protonation and DNA base unstacking equilibria contribute significantly to both the negative enthalpy change (ΔHobs) and the negative heat capacity change (ΔCp,obs) for E. coli SSB homotetramer binding to single stranded (ss) DNA. Using isothermal titration calorimetry we have now examined ΔHobs over a much wider temperature range (5°C to 60°C) and as a function of monovalent salt concentration and type for SSB binding to (dT)70 under solution conditions that favor the fully wrapped (SSB)65 complex (monovalent salt concentration ≥ 0.20 M). Over this wider temperature range we observe a strongly temperature dependent ΔCp,obs. The ΔHobs decreases as temperature increases from 5°C to 35°C (ΔCp,obs <0), but then increase at higher temperatures up to 60°C (ΔCp,obs >0). Both salt concentration and anion type have large effects on ΔHobs and ΔCp,obs. These observations can be explained by a model in which SSB protein can undergo a temperature and salt dependent conformational transition (below 35°C), the midpoint of which shifts to higher temperature (above 35°C) for SSB bound to ssDNA. Anions bind weakly to free SSB, with the preference, Br- > Cl- > F-, and these anions are then released upon binding ssDNA, affecting both ΔHobs and ΔCp,obs. We conclude that the experimentally measured values of ΔCp,obs for SSB binding to ssDNA cannot be explained solely on the basis of changes in accessible surface area (ASA) upon complex formation, but rather result from a series of temperature dependent equilibria (ion binding, protonation and protein conformational changes) that are coupled to the SSB-ssDNA binding equilibrium. This is also likely true for many other protein-nucleic acid interactions. PMID:16618108

  11. Discontinuity in heat capacity of Fe0.5Co0.5(110) alloy thin films

    NASA Astrophysics Data System (ADS)

    Ramírez-Dámaso, G.; Castillo-Alvarado, F.-L.; Cruz-Torres, A.; Rójas-Hernández, E.

    2016-07-01

    In this work we calculate heat capacity of alloy thin films of FeCo on the surface of the plane (110), using three parameters, the concentration x(i), the lattice long range order parameter t(i) and the magnetic order parameter σ(i), being i the number of layers of the thin film. The formulations reported by Hill [1] in the context of small particles and Valenta's model [2] can be applied to the film structure when we treat a thin film as a system divided into subsystems equivalent to two-dimensional parallel layers. The FeCo bulk alloy is completely homogeneous while a thin film have spatial discontinuities in their surfaces. We consider three ferromagnetic thin films formed by 11, 15 and 19 layers in the Helmholtz's free energy, which is minimized applying their first partial derivatives with respect to chemical composition, long range order parameter and magnetic order parameter. We calculate internal energy and heat capacity as a function of temperature and we verify that have two jumps as are reported in literature for the bulk; there are many results of bulk or surface effects of FeCo, but no enough results about ferromagnetic FeCo thin films and this fact does this work interesting.

  12. On the heat capacities of M2AlC (M=Ti,V,Cr) ternary carbides

    NASA Astrophysics Data System (ADS)

    Drulis, Monika K.; Drulis, H.; Gupta, S.; Barsoum, M. W.; El-Raghy, T.

    2006-05-01

    In this paper, we report on the heat capacities cp of bulk polycrystalline samples of Ti2AlC, V2AlC, and Cr2AlC in the 3-260 K temperature range. Given the structural and chemical similarities of these compounds it is not surprising that the cp's and their temperature dependencies were quite similar. Nevertheless, at all temperatures the heat capacity of Cr2AlC was higher than the other two. The density of states at the Fermi level were 3.9, 7.5, and 14.6 (eV unit cell)-1 for Ti2AlC, V2AlC, and Cr2AlC, respectively. The results obtained are analyzed using the Debye and Einstein model approximations for cp. Good description of cp is obtained if one assumes that nine phonon modes vibrate according to the Debye model approximation whereas the remaining 3 of 12 modes expected for M2AlC formula unit fulfill an Einstein-like phonon vibration pattern. Debye temperatures θD describing acoustic phonon and Einstein temperature θE describing optical phonon contributions have been estimated for the studied compounds. The Debye temperatures are reasonably high and fall in the range of 600-700 K. A linear dependence was found between the number of d electrons along the row Ti, V, and Cr and the density of states at the Fermi level.

  13. Heat capacity of the site-diluted spin dimer system Ba₃(Mn1-xVx)₂O₈

    DOE PAGES

    Samulon, E. C.; Shapiro, M. C.; Fisher, I. R.

    2011-08-05

    Heat-capacity and susceptibility measurements have been performed on the diluted spin dimer compound Ba₃(Mn1-xVx)₂O₈. The parent compound Ba₃Mn₂O₈ is a spin dimer system based on pairs of antiferromagnetically coupled S=1, 3d² Mn⁵⁺ ions such that the zero-field ground state is a product of singlets. Substitution of nonmagnetic S=0, 3d⁰ V⁵⁺ ions leads to an interacting network of unpaired Mn moments, the low-temperature properties of which are explored in the limit of small concentrations 0≤x≤0.05. The zero-field heat capacity of this diluted system reveals a progressive removal of magnetic entropy over an extended range of temperatures, with no evidence for amore » phase transition. The concentration dependence does not conform to expectations for a spin-glass state. Rather, the data suggest a low-temperature random singlet phase, reflecting the hierarchy of exchange energies found in this system.« less

  14. Temperature dependences of the electron phonon coupling, electron heat capacity and thermal conductivity in Ni under femtosecond laser irradiation

    NASA Astrophysics Data System (ADS)

    Lin, Zhibin; Zhigilei, Leonid V.

    2007-05-01

    The electron temperature dependences of the electron-phonon coupling factor, electron heat capacity and thermal conductivity are investigated for Ni in a range of temperatures typically realized in femtosecond laser material processing applications, from room temperature up to temperatures of the order of 10 4 K. The analysis is based on the electronic density of states obtained through the electronic structure calculations. Thermal excitation of d band electrons is found to result in a significant decrease in the strength of the electron-phonon coupling, as well as large deviations of the electron heat capacity and the electron thermal conductivity from the commonly used linear temperature dependences on the electron temperature. Results of the simulations performed with the two-temperature model demonstrate that the temperature dependence of the thermophysical parameters accounting for the thermal excitation of d band electrons leads to higher maximum lattice and electron temperatures achieved at the surface of an irradiated Ni target and brings the threshold fluences for surface melting closer to the experimentally measured values as compared to the predictions obtained with commonly used approximations of the thermophysical parameters.

  15. Heat capacity peak at the quantum critical point of the transverse Ising magnet CoNb2O6

    PubMed Central

    Liang, Tian; Koohpayeh, S. M.; Krizan, J. W.; McQueen, T. M.; Cava, R. J.; Ong, N. P.

    2015-01-01

    The transverse Ising magnet Hamiltonian describing the Ising chain in a transverse magnetic field is the archetypal example of a system that undergoes a transition at a quantum critical point (QCP). The columbite CoNb2O6 is the closest realization of the transverse Ising magnet found to date. At low temperatures, neutron diffraction has observed a set of discrete collective spin modes near the QCP. Here, we ask if there are low-lying spin excitations distinct from these relatively high-energy modes. Using the heat capacity, we show that a significant band of gapless spin excitations exists. At the QCP, their spin entropy rises to a prominent peak that accounts for 30% of the total spin degrees of freedom. In a narrow field interval below the QCP, the gapless excitations display a fermion-like, temperature-linear heat capacity below 1 K. These novel gapless modes are the main spin excitations participating in, and affected by, the quantum transition. PMID:26146018

  16. Heat capacity of one-dimensional chains of methane molecules in the outer grooves of carbon nanotube bundles

    NASA Astrophysics Data System (ADS)

    Bagatskii, M. I.; Sumarokov, V. V.; Barabashko, M. S.

    2016-02-01

    The heat capacity at constant pressure CP of 1D-chains of methane molecules adsorbed in the grooves on the outer surface of the bundles of closed single-walled nanotubes was measured in the temperature range from 2 to 60 K for the first time. The behavior of the temperature dependence of CP below 12 K indicates the presence of a Schottky-type anomaly originated from the tunneling between the lowest energy levels of the rotational spectra of the A, T, and E nuclear-spin species of methane molecules. The feature observed in the vicinity of 14 K is presumably caused by an orientational phase transition, in which the nature of the rotational motion of the molecules changes from libration to hindered rotation. It was found that the rotational heat capacity in the temperature range of 30-40 K is close to that of freely rotating methane molecules. An increase in the derivative dCP(T)/dT above 40 K and the feature in the CP(T) near 52 K are due to the decay of 1D chains of CH4.

  17. Invalidity of the quantitative adiabatic condition and general conditions for adiabatic approximations

    NASA Astrophysics Data System (ADS)

    Li, Dafa

    2016-05-01

    The adiabatic theorem was proposed about 90 years ago and has played an important role in quantum physics. The quantitative adiabatic condition constructed from eigenstates and eigenvalues of a Hamiltonian is a traditional tool to estimate adiabaticity and has proven to be the necessary and sufficient condition for adiabaticity. However, recently the condition has become a controversial subject. In this paper, we list some expressions to estimate the validity of the adiabatic approximation. We show that the quantitative adiabatic condition is invalid for the adiabatic approximation via the Euclidean distance between the adiabatic state and the evolution state. Furthermore, we deduce general necessary and sufficient conditions for the validity of the adiabatic approximation by different definitions.

  18. Analytic investigation of the AEM-A/HCMM attitude control system performance. [Application Explorer Missions/Heat Capacity Mapping Mission

    NASA Technical Reports Server (NTRS)

    Lerner, G. M.; Huang, W.; Shuster, M. D.

    1977-01-01

    The Heat Capacity Mapping Mission (HCMM), scheduled for launch in 1978, will be three-axis stabilized relative to the earth in a 600-kilometer altitude, polar orbit. The autonomous attitude control system consists of three torquing coils and a momentum wheel driven in response to error signals computed from data received from an infrared horizon sensor and a magnetometer. This paper presents a simple model of the attitude dynamics and derives the equations that determine the stability of the system during both attitude acquisition (acquisition-mode) and mission operations (mission-mode). Modifications to the proposed mission-mode control laws which speed the system's response to transient attitude errors and reduce the steady-state attitude errors are suggested. Numerical simulations are performed to validate the results obtained with the simple model.

  19. Toward the physical basis of thermophilic proteins: linking of enriched polar interactions and reduced heat capacity of unfolding.

    PubMed Central

    Zhou, Huan-Xiang

    2002-01-01

    The enrichment of salt bridges and hydrogen bonding in thermophilic proteins has long been recognized. Another tendency, featuring lower heat capacity of unfolding (DeltaC(p)) than found in mesophilic proteins, is emerging from the recent literature. Here we present a simple electrostatic model to illustrate that formation of a salt-bridge or hydrogen-bonding network around an ionized group in the folded state leads to increased folding stability and decreased DeltaC(p). We thus suggest that the reduced DeltaC(p) of thermophilic proteins could partly be attributed to enriched polar interactions. A reduced DeltaC(p) might serve as an indicator for the contribution of polar interactions to folding stability. PMID:12496083

  20. Heat-capacity and magnetic measurements on the Y(Ni2-xCox)B2C system

    NASA Astrophysics Data System (ADS)

    Hoellwarth, C. C.; Klavins, P.; Shelton, R. N.

    1996-02-01

    We have performed field- and temperature-dependent magnetization, resistivity, and heat-capacity measurements on polycrystalline samples of the Y(Ni2-xCox)B2C system with 0.0<=x<=0.4. Values of Tc,χ0,Hc2,ΘD, λ, and N(Ed) were determined for various samples. We observe that ΘD increases with x, while all the other parameters decrease with x. The Tc vs x data can be described using the BCS theory and the measured values of N(Ef) and ΘD. The results suggest that the decrease in Tc is due to the decrease in N(Ef), in agreement with the results from band structure calculations.

  1. Calculation of thermal conductivity, thermal diffusivity and specific heat capacity of sedimentary rocks using petrophysical well logs

    NASA Astrophysics Data System (ADS)

    Fuchs, Sven; Balling, Niels; Förster, Andrea

    2015-12-01

    In this study, equations are developed that predict for synthetic sedimentary rocks (clastics, carbonates and evapourates) thermal properties comprising thermal conductivity, specific heat capacity and thermal diffusivity. The rock groups are composed of mineral assemblages with variable contents of 15 major rock-forming minerals and porosities of 0-30 per cent. Petrophysical properties and their well-logging-tool-characteristic readings were assigned to these rock-forming minerals and to pore-filling fluids. Relationships are explored between each thermal property and other petrophysical properties (density, sonic interval transit time, hydrogen index, volume fraction of shale and photoelectric absorption index) using multivariate statistics. The application of these relations allows computing continuous borehole profiles for each rock thermal property. The uncertainties in the prediction of each property vary depending on the selected well-log combination. Best prediction is in the range of 2-8 per cent for the specific heat capacity, of 5-10 per cent for the thermal conductivity, and of 8-15 for the thermal diffusivity, respectively. Well-log derived thermal conductivity is validated by laboratory data measured on cores from deep boreholes of the Danish Basin, the North German Basin, and the Molasse Basin. Additional validation of thermal conductivity was performed by comparing predicted and measured temperature logs. The maximum deviation between these logs is <3 °C. The thermal-conductivity calculation allowed an evaluation of the depth range in which the palaeoclimatic effect on the subsurface temperature field can be observed in the North German Basin. This effect reduces the surface heat-flow density by 25 mW m-2.

  2. Automatic calorimetry system monitors RF power

    NASA Technical Reports Server (NTRS)

    Harness, B. W.; Heiberger, E. C.

    1969-01-01

    Calorimetry system monitors the average power dissipated in a high power RF transmitter. Sensors measure the change in temperature and the flow rate of the coolant, while a multiplier computes the power dissipated in the RF load.

  3. Adiabatic Wankel type rotary engine

    NASA Technical Reports Server (NTRS)

    Kamo, R.; Badgley, P.; Doup, D.

    1988-01-01

    This SBIR Phase program accomplished the objective of advancing the technology of the Wankel type rotary engine for aircraft applications through the use of adiabatic engine technology. Based on the results of this program, technology is in place to provide a rotor and side and intermediate housings with thermal barrier coatings. A detailed cycle analysis of the NASA 1007R Direct Injection Stratified Charge (DISC) rotary engine was performed which concluded that applying thermal barrier coatings to the rotor should be successful and that it was unlikely that the rotor housing could be successfully run with thermal barrier coatings as the thermal stresses were extensive.

  4. Adiabatic processes in monatomic gases

    NASA Astrophysics Data System (ADS)

    Carrera-Patiño, Martin E.

    1988-08-01

    A kinetic model is used to predict the temperature evolution of a monatomic ideal gas undergoing an adiabatic expansion or compression at a constant finite rate, and it is then generalized to treat real gases. The effects of interatomic forces are considered, using as examples the gas with the square-well potential and the van der Waals gas. The model is integrated into a Carnot cycle operating at a finite rate to compare the efficiency's rate-dependent behavior with the reversible result. Limitations of the model, rate penalties, and their importance are discussed.

  5. Adiabatic preparation of Floquet condensates

    NASA Astrophysics Data System (ADS)

    Heinisch, Christoph; Holthaus, Martin

    2016-10-01

    We argue that a Bose-Einstein condensate can be transformed into a Floquet condensate, that is, into a periodically time-dependent many-particle state possessing the coherence properties of a mesoscopically occupied single-particle Floquet state. Our reasoning is based on the observation that the denseness of the many-body system's quasienergy spectrum does not necessarily obstruct effectively adiabatic transport. Employing the idealized model of a driven bosonic Josephson junction, we demonstrate that only a small amount of Floquet entropy is generated when a driving force with judiciously chosen frequency and maximum amplitude is turned on smoothly.

  6. On the question of adiabatic invariants

    NASA Astrophysics Data System (ADS)

    Mitropol'Skii, Iu. A.

    Some aspects of the construction of adiabadic invariants for dynamic systems with a single degree of freedom are discussed. Adiabatic invariants are derived using classical principles and the method proposed by Djukic (1981). The discussion covers an adiabatic invariant for a dynamic system with slowly varying parameters; derivation of an expression for an adiabatic invariant by the Djukic method for a second-order equation with a variable mass; and derivation of an expression for the adiabatic invariant for a nearly integrable differential equation.

  7. Densities and heat capacities of aqueous arsenious and arsenic acid solutions to 350 °C and 300 bar, and revised thermodynamic properties of As(OH)3∘(aq), AsO(OH)3∘(aq) and iron sulfarsenide minerals

    NASA Astrophysics Data System (ADS)

    Perfetti, Erwan; Pokrovski, Gleb S.; Ballerat-Busserolles, Karine; Majer, Vladimir; Gibert, François

    2008-02-01

    Densities and heat capacities of aqueous arsenious and arsenic acid solutions of 0.1-0.6 mol/kg were measured using the flow vibrating tube densitometry and differential calorimetry at temperatures to 350 °C and pressures to ˜310 bar. The standard partial molal volumes V∘ and heat capacities Cp∘ of the neutral aqueous As III and As V (oxy)hydroxide species, As(OH) 3 and AsO(OH) 3, were obtained from these data, via corrections for partial dissociation and extrapolation to infinite dilution. The generated V∘ and Cp∘ values, together with the existing data on As III oxide and sulfide minerals solubilities and low-temperature As III-As V aqueous solution equilibria, were used to refine the thermodynamic properties of As hydroxide complexes over a wide temperature-pressure range, in the framework of the revised HKF equation of state and using correlation algorithms recently proposed for aqueous neutral species. These revised properties were combined with solubility data for arsenopyrite (FeAsS) and direct calorimetric heat capacity and enthalpy measurements reported in the literature for arsenopyrite, loellingite (FeAs 2), and westerveldite (FeAs), to generate a consistent set of thermodynamic parameters for these iron sulfarsenides. The new Gibbs free energy values of arsenopyrite and loellingite resulting from these properties imply lower solubilities of iron sulfarsenides in aquatic environments than have been assumed. The thermodynamic properties of arsenic aqueous species and solid phases obtained in this study provide quantitative constraints on As-bearing mineral stabilities and arsenic transport by geological fluids.

  8. Degenerate adiabatic perturbation theory: Foundations and applications

    NASA Astrophysics Data System (ADS)

    Rigolin, Gustavo; Ortiz, Gerardo

    2014-08-01

    We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010), 10.1103/PhysRevLett.104.170406], and on the formulation of the degenerate adiabatic theorem, along with its necessary and sufficient conditions [given in Phys. Rev. A 85, 062111 (2012), 10.1103/PhysRevA.85.062111]. We start with the adiabatic approximation for degenerate Hamiltonians that paves the way to a clear and rigorous statement of the associated degenerate adiabatic theorem, where the non-Abelian geometric phase (Wilczek-Zee phase) plays a central role to its quantitative formulation. We then describe the degenerate adiabatic perturbation theory, whose zeroth-order term is the degenerate adiabatic approximation, in its full generality. The parameter in the perturbative power-series expansion of the time-dependent wave function is directly associated to the inverse of the time it takes to drive the system from its initial to its final state. With the aid of the degenerate adiabatic perturbation theory we obtain rigorous necessary and sufficient conditions for the validity of the adiabatic theorem of quantum mechanics. Finally, to illustrate the power and wide scope of the methodology, we apply the framework to a degenerate Hamiltonian, whose closed-form time-dependent wave function is derived exactly, and also to other nonexactly solvable Hamiltonians whose solutions are numerically computed.

  9. On a Nonlinear Model in Adiabatic Evolutions

    NASA Astrophysics Data System (ADS)

    Sun, Jie; Lu, Song-Feng

    2016-08-01

    In this paper, we study a kind of nonlinear model of adiabatic evolution in quantum search problem. As will be seen here, for this problem, there always exists a possibility that this nonlinear model can successfully solve the problem, while the linear model can not. Also in the same setting, when the overlap between the initial state and the final stare is sufficiently large, a simple linear adiabatic evolution can achieve O(1) time efficiency, but infinite time complexity for the nonlinear model of adiabatic evolution is needed. This tells us, it is not always a wise choice to use nonlinear interpolations in adiabatic algorithms. Sometimes, simple linear adiabatic evolutions may be sufficient for using. Supported by the National Natural Science Foundation of China under Grant Nos. 61402188 and 61173050. The first author also gratefully acknowledges the support from the China Postdoctoral Science Foundation under Grant No. 2014M552041

  10. Quantum and classical dynamics in adiabatic computation

    NASA Astrophysics Data System (ADS)

    Crowley, P. J. D.; Äńurić, T.; Vinci, W.; Warburton, P. A.; Green, A. G.

    2014-10-01

    Adiabatic transport provides a powerful way to manipulate quantum states. By preparing a system in a readily initialized state and then slowly changing its Hamiltonian, one may achieve quantum states that would otherwise be inaccessible. Moreover, a judicious choice of final Hamiltonian whose ground state encodes the solution to a problem allows adiabatic transport to be used for universal quantum computation. However, the dephasing effects of the environment limit the quantum correlations that an open system can support and degrade the power of such adiabatic computation. We quantify this effect by allowing the system to evolve over a restricted set of quantum states, providing a link between physically inspired classical optimization algorithms and quantum adiabatic optimization. This perspective allows us to develop benchmarks to bound the quantum correlations harnessed by an adiabatic computation. We apply these to the D-Wave Vesuvius machine with revealing—though inconclusive—results.

  11. Extruded scintillator for the Calorimetry applications

    SciTech Connect

    Dyshkant, A.; Rykalin, V.; Pla-Dalmau, A.; Beznosko, D.

    2006-10-27

    An extrusion line has been installed and successfully operated at FNAL (Fermi National Accelerator Laboratory) in collaboration with NICADD (Northern Illinois Center for Accelerator and Detector Development). This new Facility will serve to further develop and improve extruded plastic scintillator. Recently progress has been made in producing co-extruded plastic scintillator, thus increasing the potential HEP applications of this Facility. The current R and D work with extruded and co-extruded plastic scintillator for a potential ALICE upgrade, the ILC calorimetry program and the MINERvA experiment show the attractiveness of the chosen strategy for future experiments and calorimetry. We extensively discuss extruded and co-extruded plastic scintillator in calorimetry in synergy with new Solid State Photomultipliers. The characteristics of extruded and co-extruded plastic scintillator will be presented here as well as results with non-traditional photo read-out.

  12. Extruded scintillator for the calorimetry applications

    SciTech Connect

    Dyshkant, A.; Rykalin, V.; Pla-Dalmau, A.; Beznosko, D.; /SUNY, Stony Brook

    2006-08-01

    An extrusion line has been installed and successfully operated at FNAL (Fermi National Accelerator Laboratory) in collaboration with NICADD (Northern Illinois Center for Accelerator and Detector Development). This new Facility will serve to further develop and improve extruded plastic scintillator. Recently progress has been made in producing co-extruded plastic scintillator, thus increasing the potential HEP applications of this Facility. The current R&D work with extruded and co-extruded plastic scintillator for a potential ALICE upgrade, the ILC calorimetry program and the MINERvA experiment show the attractiveness of the chosen strategy for future experiments and calorimetry. We extensively discuss extruded and co-extruded plastic scintillator in calorimetry in synergy with new Solid State Photomultipliers. The characteristics of extruded and co-extruded plastic scintillator will be presented here as well as results with non-traditional photo read-out.

  13. Particle Flow Calorimetry at the ILC

    SciTech Connect

    Thomson, M. A.

    2007-03-19

    One of the most important requirements for a detector at the ILC is good jet energy resolution. It is widely believed that the particle flow approach to calorimetry is the key to achieving the goal of 0.3/{radical}(E(GeV)). In contrast to the traditional approach to calorimetry, potentially the performance of particle flow calorimetry is sensitive to the detailed structure of hadronic showers. This paper describes the current performance of the PANDORAPFA particle flow algorithm. For 45 GeV jets in the Tesla TDR detector concept, the ILC jet energy resolution goal is reached. First detector optimisation studies are presented and the aspects of hadronic showers which are most likely to impact particle flow performance are discussed.

  14. Determination of the magnetic contribution to the heat capacity of cobalt oxide nanoparticles and the thermodynamic properties of the hydration layers.

    PubMed

    Spencer, E C; Ross, N L; Parker, S F; Woodfield, B F; Boerio-Goates, J; Smith, S J; Olsen, R E; Kolesnikov, A I; Navrotsky, A; Ma, C

    2011-05-25

    We present low temperature (11 K) inelastic neutron scattering (INS) data on four hydrated nanoparticle systems: 10 nm CoO·0.10H(2)O (1), 16 nm Co(3)O(4)·0.40H(2)O (2), 25 nm Co(3)O(4)·0.30H(2)O (3) and 40 nm Co(3)O(4)·0.026H(2)O (4). The vibrational densities of states were obtained for all samples and from these the isochoric heat capacity and vibrational energy for the hydration layers confined to the surfaces of these nanoparticle systems have been elucidated. The results show that water on the surface of CoO nanoparticles is more tightly bound than water confined to the surface of Co(3)O(4), and this is reflected in the reduced heat capacity and vibrational entropy for water on CoO relative to water on Co(3)O(4) nanoparticles. This supports the trend, seen previously, for water to be more tightly bound in materials with higher surface energies. The INS spectra for the antiferromagnetic Co(3)O(4) particles (2-4) also show sharp and intense magnetic excitation peaks at 5 meV, and from this the magnetic contribution to the heat capacity of Co(3)O(4) nanoparticles has been calculated; this represents the first example of use of INS data for determining the magnetic contribution to the heat capacity of any magnetic nanoparticle system.

  15. Development of a molecular-dynamics-based cluster-heat-capacity model for study of homogeneous condensation in supersonic water-vapor expansions.

    PubMed

    Borner, Arnaud; Li, Zheng; Levin, Deborah A

    2013-02-14

    Supersonic expansions to vacuum produce clusters of sufficiently small size that properties such as heat capacities and latent heat of evaporation cannot be described by bulk vapor thermodynamic values. In this work the Monte-Carlo Canonical-Ensemble (MCCE) method was used to provide potential energies and constant-volume heat capacities for small water clusters. The cluster structures obtained using the well-known simple point charge model were found to agree well with earlier simulations using more rigorous potentials. The MCCE results were used as the starting point for molecular dynamics simulations of the evaporation rate as a function of cluster temperature and size which were found to agree with unimolecular dissociation theory and classical nucleation theory. The heat capacities and latent heat obtained from the MCCE simulations were used in direct-simulation Monte-Carlo of two experiments that measured Rayleigh scattering and terminal dimer mole fraction of supersonic water-jet expansions. Water-cluster temperature and size were found to be influenced by the use of kinetic rather than thermodynamic heat-capacity and latent-heat values as well as the nucleation model.

  16. Structure and thermal properties of salicylate-based-protic ionic liquids as new heat storage media. COSMO-RS structure characterization and modeling of heat capacities.

    PubMed

    Jacquemin, Johan; Feder-Kubis, Joanna; Zorębski, Michał; Grzybowska, Katarzyna; Chorążewski, Mirosław; Hensel-Bielówka, Stella; Zorębski, Edward; Paluch, Marian; Dzida, Marzena

    2014-02-28

    During this research, we present a study on the thermal properties, such as the melting, cold crystallization, and glass transition temperatures as well as heat capacities from 293.15 K to 323.15 K of nine in-house synthesized protic ionic liquids based on the 3-(alkoxymethyl)-1H-imidazol-3-ium salicylate ([H-Im-C1OC(n)][Sal]) with n = 3-11. The 3D structures, surface charge distributions and COSMO volumes of all investigated ions are obtained by combining DFT calculations and the COSMO-RS methodology. The heat capacity data sets as a function of temperature of the 3-(alkoxymethyl)-1H-imidazol-3-ium salicylate are then predicted using the methodology originally proposed in the case of ionic liquids by Ge et al. 3-(Alkoxymethyl)-1H-imidazol-3-ium salicylate based ionic liquids present specific heat capacities higher in many cases than other ionic liquids that make them suitable as heat storage media and in heat transfer processes. It was found experimentally that the heat capacity increases linearly with increasing alkyl chain length of the alkoxymethyl group of 3-(alkoxymethyl)-1H-imidazol-3-ium salicylate as was expected and predicted using the Ge et al. method with an overall relative absolute deviation close to 3.2% for temperatures up to 323.15 K.

  17. Determination of the magnetic contribution to the heat capacity of cobalt oxide nanoparticles and the thermodynamic properties of the hydration layers

    SciTech Connect

    Spencer, Elinor; Ross, Dr. Nancy; Parker, Stewart F.; Woodfield, Brian; Boerio-Goates, Juliana; Smith, S. J.; Olsen, R. E.; Kolesnikov, Alexander I; Navrotsky, Alexandra; Ma, C

    2011-01-01

    We present low temperature (11 K) inelastic neutron scattering (INS) data on four hydrated nanoparticle systems: 10 nm CoO 0.10H2O (1), 16 nmCo3O4 0.40H2O (2), 25 nm Co3O4 0.30H2O (3) and 40 nmCo3O4 0.026H2O (4). The vibrational densities of states were obtained for all samples and from these the isochoric heat capacity and vibrational energy for the hydration layers confined to the surfaces of these nanoparticle systems have been elucidated. The results show that water on the surface of CoO nanoparticles is more tightly bound than water confined to the surface of Co3O4, and this is reflected in the reduced heat capacity and vibrational entropy for water on CoO relative to water on Co3O4 nanoparticles. This supports the trend, seen previously, for water to be more tightly bound in materials with higher surface energies. The INS spectra for the antiferromagnetic Co3O4 particles (2 4) also show sharp and intense magnetic excitation peaks at 5 meV, and from this the magnetic contribution to the heat capacity of Co3O4 nanoparticles has been calculated; this represents the first example of use of INS data for determining the magnetic contribution to the heat capacity of any magnetic nanoparticle system.

  18. Heat capacity and thermal expansion anomalies in the nitromethane-1-butanol mixture near its upper critical point

    NASA Astrophysics Data System (ADS)

    Cerdeiriña, C. A.; Troncoso, J.; Carballo, E.; Romaní, L.

    2002-09-01

    The heat capacity per unit volume Cp and density ρ of the nitromethane-1-butanol critical mixture near its upper consolute point are determined in this work. Cp data are obtained at atmospheric pressure as a function of temperature in the one-phase and two-phase regions, using a differential scanning calorimeter. The suitability of DSC for recording Cp as a function of T in the critical region is confirmed by measurements of the nitromethane-cyclohexane mixture, the results being quite consistent with reported data. By fitting the Cp data in the one-phase region, the critical exponent α is found to be 0.110+/-0.014-and hence consistent with the universal accepted value-and the critical amplitude A+=0.0606+/-0.0006 J K-1 cm-3. ρ data were only obtained in the one-phase region, using a vibrating tube densimeter. The amplitude of the density anomaly was found to be C+1=-0.017+/-0.003 g cm-3, which is moderately low in spite of the large difference between the densities of the pure liquids. The thermodynamic consistency of the A+ and C+1 values was examined in relation to the previously reported value for the slope of the critical line dTc/dp. The results of this analysis were consistent with previous work on this matter.

  19. Separate contributions of large- and small-scale dynamics to the heat capacity of proteins. A new viscosity approach.

    PubMed

    Käiväräinen, A; Fradkova, L; Korpela, T

    1993-05-01

    We present here a theoretical description and experimental verification of a novel method of separating large-scale (LS) and small-scale (SS) dynamics contributions to the heat capacities of proteins in solution by using viscosity dependences. It was assumed that the LS dynamics, related to the thermal fluctuations of domains and subunits, is dependent on solvent viscosity within a sucrose concentration of 0-15% w/v, in contrast with the SS dynamics, which are related to fluctuations of atoms and amino acid residues. The results obtained with immunoglobulin G, hemoglobin and cytochrome c were in reasonable accordance with the previous data achieved by a spin-label method: the LS dynamics decrease, whereas the SS dynamics increase within the temperature elevation. The changes are dependent on the stage of the active sites of the proteins. The internal compensation of molecular dynamics between the LS and SS fluctuations may be an important factor in the design of thermostable enzymes and proteins. A new phenomenon concerning the ability of macromolecules to increase free volume in water as a result of ice-like clusters stabilization is revealed. PMID:8489854

  20. Application of Heat Capacity Mapping Mission data to regional geologic analysis for mineral and energy resource evaluation

    NASA Technical Reports Server (NTRS)

    Watson, K. (Principal Investigator); Hummer-Miller, S.; Knepper, D. H., Jr.; Krohn, M. D.; Podwysocki, M. H.; Pohn, H. H.; Raines, G. L.; Rowan, L. C.

    1983-01-01

    Heat Capacity Mapping Mission thermal-inertia images of a diversity of terrains and geologic settings were examined in conjunction with topographic, geologic, geophysical, and LANDSAT data. The images were found to have attributes similar to bedrock maps. In the Cascades region, two new features were identified and a method was developed to characterize regional terranes using linear feature data. Two northeast-trending Lineaments were discovered in the Overthrust Belt of Montana and Idaho. The longer of the two extends from the Idaho-Oregon border, through the Idaho batholith and across the Lewis thrust. It coincides, along segments, with mapped faults and an aeromagnetic pattern change. A major lineament crossing the Colorado Plateau and the Southern Rocky Mountians was detected on several thermal-inertial images and evidence was found for the existence of a geologic discontinuity. Vegetation-covered areas in Richfield and the Silver City quadrangle (Arizona and New Mexico) displayed thermal-inertia differences within heavily vegetation areas although no apreciable correlation was found between vegetation cover and thermal inertia. Resistant ridges and knolls have high thermal inertias and thermal-inertia contrasts occurred at lithologic and fault contacts. In the heavy vegetated Pinaleno Mountains, Arizona, a Lithologic unit obscured on LANDSAT MSS data due to the vegetation cover, exhibited a thermal-inertia contrast with its surroundings.

  1. Probing 2-band superconductivity of Al and C-substituted MgB2 with heat capacity measurements

    NASA Astrophysics Data System (ADS)

    Zambano, Antonio J.

    2005-03-01

    We study the changes in the heat capacity Cp(T) in Mg1-xAlxB2 (x <= 0.19) and Mg(B1-yCy)2 (y <= 0.08). The two band model is used to fit Cp(T) and extract the two energy gaps and electron-phonon coupling matrix for the different dopant concentrations. These fitting routines are sensitive to background subtraction, and we discuss what constraints this places on sample quality and preparation. Like previous results, fits for Al doping do not indicate merging of the gaps, suggesting Al does not increase interband scattering. However, we also notice trends that are different from those seen in previous experiments, which we also discuss. For instance, the main peak due to the sigma band does not smear with increasing Al content, but remains fairly abrupt. Other characterization suggests the Al doped samples are of very high quality. Results for C doping are also discussed in terms of filling the sigma band hole states with electrons and increased interband scattering.

  2. Identification of the Thermal Conductivity and Heat Capacity in Unsteady Nonlinear Heat Conduction Problems Using the Boundary Element Method

    NASA Astrophysics Data System (ADS)

    Lesnic, D.; Elliott, L.; Ingham, D. B.

    1996-07-01

    In this study the inverse problem of the identification of temperature dependent thermal properties of a heat conducting body is investigated. The solution of the corresponding direct problem is obtained using a time marching boundary element method (BEM), which allows, without any need of interpolation and solution domain discretisation, efficient and accurate evaluation of the temperature everywhere inside the space-time dependent domain. Since the inverse problem, which requires the determination of the thermal conductivity and heat capacity from a finite set of temperature measurements taken inside the body, possesses poor uniqueness features, additional information is achieved by assuming that the thermal properties belong to a set of polynomials. Thus the inverse problem reduces to a parameter system estimation problem which is solved using the nonlinear least-squares method. Convergent and stable numerical results are obtained for the finite set of parameters which characterise the thermal properties for various test examples. Once the thermal properties are accurately obtained then the BEM determines automatically the temperature inside the solution domain and the remaining unspecified boundary values and the numerically obtained results show good agreement with the corresponding analytical solutions.

  3. Neptunium Monochalcogenides: Heat Capacity

    NASA Astrophysics Data System (ADS)

    Troć, R.

    This document is part of subvolume B6bβ`Actinide Monochalcogenides' of Volume 27 `Magnetic properties of non-metallic inorganic compounds based on transition elements' of Landolt-Börnstein - Group III `Condensed Matter'. The volume presents magnetic and related properties of monochalcogenides based on actinides and their solid solutions.

  4. Apparent Thermal Properties of Phase-Change Materials: An Analysis Using Differential Scanning Calorimetry and Impulse Method

    NASA Astrophysics Data System (ADS)

    Pavlík, Zbyšek; Trník, Anton; Ondruška, Ján; Keppert, Martin; Pavlíková, Milena; Volfová, Petra; Kaulich, Viktor; Černý, Robert

    2013-05-01

    Thermal properties of newly developed plaster based on hydrated lime, metakaolin, and paraffinic wax enclosed in polymer micro-capsules are studied in the article. At first, differential scanning calorimetry (DSC) is applied on Micronal PCM capsules for determination of the temperature interval of thawing and solidification. Then, the initial temperature of the phase change and specific heat capacity of the plaster are measured by DSC. The thermal conductivity and thermal diffusivity are determined by an impulse method. For comparative reasons, the properties of lime-based plaster without PCM are studied as well. The obtained results demonstrate the enhanced heat storage capacity of the studied material that can be used for application in lightweight building envelope systems.

  5. Calculation of Temperature Rise in Calorimetry.

    ERIC Educational Resources Information Center

    Canagaratna, Sebastian G.; Witt, Jerry

    1988-01-01

    Gives a simple but fuller account of the basis for accurately calculating temperature rise in calorimetry. Points out some misconceptions regarding these calculations. Describes two basic methods, the extrapolation to zero time and the equal area method. Discusses the theoretical basis of each and their underlying assumptions. (CW)

  6. Isothermal Titration Calorimetry in the Student Laboratory

    ERIC Educational Resources Information Center

    Wadso, Lars; Li, Yujing; Li, Xi

    2011-01-01

    Isothermal titration calorimetry (ITC) is the measurement of the heat produced by the stepwise addition of one substance to another. It is a common experimental technique, for example, in pharmaceutical science, to measure equilibrium constants and reaction enthalpies. We describe a stirring device and an injection pump that can be used with a…

  7. Calorimetry at L = 10/sup 33

    NASA Astrophysics Data System (ADS)

    Selove, W.; Theodosiou, G.

    1983-04-01

    Existing scintillation calorimetry techniques make operation at collision rates of 10 to the 8th power sec feasible for most rare events are shown. The pp colliders at L = 10 to the 33rd power, with DC operation are analyzed. Possible misleading effects due to pile up are discussed.

  8. Final Technical Report CMS fast optical calorimetry

    SciTech Connect

    Winn, David R.

    2012-07-12

    This is the final report of CMS FAST OPTICAL CALORIMETRY, a grant to Fairfield University for development, construction, installation and operation of the forward calorimeter on CMS, and for upgrades of the forward and endcap calorimeters for higher luminosity and radiation damage amelioration.

  9. A geometric criterion for adiabatic chaos

    SciTech Connect

    Kaper, T.J. ); Kovacic, G. )

    1994-03-01

    Chaos in adiabatic Hamiltonian systems is a recent discovery and a pervasive phenomenon in physics. In this work, a geometric criterion is discussed based on the theory of action from classical mechanics to detect the existence of Smale horseshoe chaos in adiabatic systems. It is used to show that generic adiabatic planar Hamiltonian systems exhibit stochastic dynamics in large regions of phase space. To illustrate the method, results are obtained for three problems concerning relativistic particle dynamics, fluid mechanics, and passage through resonance, results which either could not be obtained with existing methods, or which were difficult and analytically impractical to obtain with them.

  10. Heating and cooling in adiabatic mixing process

    SciTech Connect

    Zhou Jing; Zou Xubo; Guo Guangcan; Cai Zi

    2010-12-15

    We study the effect of interaction on the temperature change in the process of adiabatic mixing of two components of Fermi gases using the real-space Bogoliubov-de Gennes method. We find that in the process of adiabatic mixing, the competition between the adiabatic expansion and the attractive interaction makes it possible to cool or heat the system depending on the strength of the interaction and the initial temperature of the system. The changes of the temperature in a bulk system and in a trapped system are investigated.

  11. Water activities of NaClO4, Ca(ClO4)2, and Mg(ClO4)2 brines from experimental heat capacities: Water activity >0.6 below 200 K

    NASA Astrophysics Data System (ADS)

    Toner, J. D.; Catling, D. C.

    2016-05-01

    Perchlorate salts found on Mars are extremely hygroscopic and form low eutectic temperature aqueous solutions, which could allow liquid water to exist on Mars despite cold and dry conditions. The formation, dynamics, and potential habitability of perchlorate salt solutions can be broadly understood in terms of water activity. Water activity controls condensation and evaporation of water vapor in brines, deliquescence and efflorescence of crystalline salts, and ice formation during freezing. Furthermore, water activity is a basic parameter defining the habitability of aqueous solutions. Despite the importance of water activity, its value in perchlorate solutions has only been measured at 298.15 K and at the freezing point of water. To address this lack of data, we have determined water activities in NaClO4, Ca(ClO4)2, and Mg(ClO4)2 solutions using experimental heat capacities measured by Differential Scanning Calorimetry. Our results include concentrations up to near-saturation and temperatures ranging from 298.15 to 178 K. We find that water activities in NaClO4 solutions increase with decreasing temperature, by as much as 0.25 aw from 298.15 to 178 K. Consequently, aw reaches ∼0.6-0.7 even for concentrations up to 15 molal NaClO4 below 200 K. In contrast, water activities in Ca(ClO4)2 and Mg(ClO4)2 solutions generally decrease with decreasing temperature. The temperature dependence of water activity indicates that low-temperature NaClO4 solutions will evaporate and deliquesce at higher relative humidity, crystallize ice at higher temperature, and potentially be more habitable for life (at least in terms of water activity) compared to solutions at 298.15 K. The opposite effects occur in Ca(ClO4)2 and Mg(ClO4)2 solutions.

  12. Simulation of periodically focused, adiabatic thermal beams

    SciTech Connect

    Chen, C.; Akylas, T. R.; Barton, T. J.; Field, D. M.; Lang, K. M.; Mok, R. V.

    2012-12-21

    Self-consistent particle-in-cell simulations are performed to verify earlier theoretical predictions of adiabatic thermal beams in a periodic solenoidal magnetic focusing field [K.R. Samokhvalova, J. Zhou and C. Chen, Phys. Plasma 14, 103102 (2007); J. Zhou, K.R. Samokhvalova and C. Chen, Phys. Plasma 15, 023102 (2008)]. In particular, results are obtained for adiabatic thermal beams that do not rotate in the Larmor frame. For such beams, the theoretical predictions of the rms beam envelope, the conservations of the rms thermal emittances, the adiabatic equation of state, and the Debye length are verified in the simulations. Furthermore, the adiabatic thermal beam is found be stable in the parameter regime where the simulations are performed.

  13. Adiabatic Motion of Fault Tolerant Qubits

    NASA Astrophysics Data System (ADS)

    Drummond, David Edward

    This work proposes and analyzes the adiabatic motion of fault tolerant qubits in two systems as candidates for the building blocks of a quantum computer. The first proposal examines a pair of electron spins in double quantum dots, finding that the leading source of decoherence, hyperfine dephasing, can be suppressed by adiabatic rotation of the dots in real space. The additional spin-orbit effects introduced by this motion are analyzed, simulated, and found to result in an infidelity below the error-correction threshold. The second proposal examines topological qubits formed by Majorana zero modes theorized to exist at the ends of semiconductor nanowires coupled to conventional superconductors. A model is developed to design adiabatic movements of the Majorana bound states to produce entangled qubits. Analysis and simulations indicate that these adiabatic operations can also be used to demonstrate entanglement experimentally by testing Bell's theorem.

  14. General conditions for quantum adiabatic evolution

    SciTech Connect

    Comparat, Daniel

    2009-07-15

    Adiabaticity occurs when, during its evolution, a physical system remains in the instantaneous eigenstate of the Hamiltonian. Unfortunately, existing results, such as the quantum adiabatic theorem based on a slow down evolution [H({epsilon}t),{epsilon}{yields}0], are insufficient to describe an evolution driven by the Hamiltonian H(t) itself. Here we derive general criteria and exact bounds, for the state and its phase, ensuring an adiabatic evolution for any Hamiltonian H(t). As a corollary, we demonstrate that the commonly used condition of a slow Hamiltonian variation rate, compared to the spectral gap, is indeed sufficient to ensure adiabaticity but only when the Hamiltonian is real and nonoscillating (for instance, containing exponential or polynomial but no sinusoidal functions)

  15. Adiabatic Quantum Search in Open Systems

    NASA Astrophysics Data System (ADS)

    Wild, Dominik S.; Gopalakrishnan, Sarang; Knap, Michael; Yao, Norman Y.; Lukin, Mikhail D.

    2016-10-01

    Adiabatic quantum algorithms represent a promising approach to universal quantum computation. In isolated systems, a key limitation to such algorithms is the presence of avoided level crossings, where gaps become extremely small. In open quantum systems, the fundamental robustness of adiabatic algorithms remains unresolved. Here, we study the dynamics near an avoided level crossing associated with the adiabatic quantum search algorithm, when the system is coupled to a generic environment. At zero temperature, we find that the algorithm remains scalable provided the noise spectral density of the environment decays sufficiently fast at low frequencies. By contrast, higher order scattering processes render the algorithm inefficient at any finite temperature regardless of the spectral density, implying that no quantum speedup can be achieved. Extensions and implications for other adiabatic quantum algorithms will be discussed.

  16. Experimental demonstration of composite adiabatic passage

    NASA Astrophysics Data System (ADS)

    Schraft, Daniel; Halfmann, Thomas; Genov, Genko T.; Vitanov, Nikolay V.

    2013-12-01

    We report an experimental demonstration of composite adiabatic passage (CAP) for robust and efficient manipulation of two-level systems. The technique represents a altered version of rapid adiabatic passage (RAP), driven by composite sequences of radiation pulses with appropriately chosen phases. We implement CAP with radio-frequency pulses to invert (i.e., to rephase) optically prepared spin coherences in a Pr3+:Y2SiO5 crystal. We perform systematic investigations of the efficiency of CAP and compare the results with conventional π pulses and RAP. The data clearly demonstrate the superior features of CAP with regard to robustness and efficiency, even under conditions of weakly fulfilled adiabaticity. The experimental demonstration of composite sequences to support adiabatic passage is of significant relevance whenever a high efficiency or robustness of coherent excitation processes need to be maintained, e.g., as required in quantum information technology.

  17. Adiabatic limits on Riemannian Heisenberg manifolds

    SciTech Connect

    Yakovlev, A A

    2008-02-28

    An asymptotic formula is obtained for the distribution function of the spectrum of the Laplace operator, in the adiabatic limit for the foliation defined by the orbits of an invariant flow on a compact Riemannian Heisenberg manifold. Bibliography: 21 titles.

  18. Adiabatic invariance of oscillons/I -balls

    NASA Astrophysics Data System (ADS)

    Kawasaki, Masahiro; Takahashi, Fuminobu; Takeda, Naoyuki

    2015-11-01

    Real scalar fields are known to fragment into spatially localized and long-lived solitons called oscillons or I -balls. We prove the adiabatic invariance of the oscillons/I -balls for a potential that allows periodic motion even in the presence of non-negligible spatial gradient energy. We show that such a potential is uniquely determined to be the quadratic one with a logarithmic correction, for which the oscillons/I -balls are absolutely stable. For slightly different forms of the scalar potential dominated by the quadratic one, the oscillons/I -balls are only quasistable, because the adiabatic charge is only approximately conserved. We check the conservation of the adiabatic charge of the I -balls in numerical simulation by slowly varying the coefficient of logarithmic corrections. This unambiguously shows that the longevity of oscillons/I -balls is due to the adiabatic invariance.

  19. Adiabatic Demagnetization Cooler For Far Infrared Detector

    NASA Astrophysics Data System (ADS)

    Sato, Akio; Yazawa, Takashi; Yamamoto, Junya

    1988-11-01

    An small adiabatic demagnetization cooler for an astronomical far infrared detector has been built. Single crystals of manganese ammonium sulphate and chromium potassium alum, were prepared as magnetic substances. The superconducting magnet was indirectly cooled and operated by small current up to 13.3 A, the maximum field being 3.5 T. As a preliminary step, adiabatic demagnetization to zero field was implemented. The lowest temperature obtained was 0.5 K, for 5.0 K initial temperature.

  20. Symmetry of the Adiabatic Condition in the Piston Problem

    ERIC Educational Resources Information Center

    Anacleto, Joaquim; Ferreira, J. M.

    2011-01-01

    This study addresses a controversial issue in the adiabatic piston problem, namely that of the piston being adiabatic when it is fixed but no longer so when it can move freely. It is shown that this apparent contradiction arises from the usual definition of adiabatic condition. The issue is addressed here by requiring the adiabatic condition to be…

  1. Hierarchical theory of quantum adiabatic evolution

    NASA Astrophysics Data System (ADS)

    Zhang, Qi; Gong, Jiangbin; Wu, Biao

    2014-12-01

    Quantum adiabatic evolution is a dynamical evolution of a quantum system under slow external driving. According to the quantum adiabatic theorem, no transitions occur between nondegenerate instantaneous energy eigenstates in such a dynamical evolution. However, this is true only when the driving rate is infinitesimally small. For a small nonzero driving rate, there are generally small transition probabilities between the energy eigenstates. We develop a classical mechanics framework to address the small deviations from the quantum adiabatic theorem order by order. A hierarchy of Hamiltonians is constructed iteratively with the zeroth-order Hamiltonian being determined by the original system Hamiltonian. The kth-order deviations are governed by a kth-order Hamiltonian, which depends on the time derivatives of the adiabatic parameters up to the kth-order. Two simple examples, the Landau-Zener model and a spin-1/2 particle in a rotating magnetic field, are used to illustrate our hierarchical theory. Our analysis also exposes a deep, previously unknown connection between classical adiabatic theory and quantum adiabatic theory.

  2. Laboratory Measurements of Adiabatic and Isothermal Processes

    NASA Astrophysics Data System (ADS)

    McNairy, W. W.

    1997-04-01

    Adiabatic and isothermal measurements on various of gases are made possible by using the Adiabatic Gas Law apparatus made by PASCO Scientific(Much of this work was published by the author in "The Physics Teacher", vol. 34, March 1996, p. 178-80.). By using a computer interface, undergraduates are able to data for monatomic, diatomic and polyatomic gases for both compression and expansion processes. Designed principally to obtain adiabatic data, the apparatus may be easily modified for use in isothermal processes. The various sets of data are imported into a spreadsheet program where fits may be made to the ideal gas law and the adiabatic gas law. Excellent results are obtained for the natural logarithm of pressure versus the natural logarithm of volume for both the isothermal data (expected slope equal to -1 in all cases) and the adiabatic data (slope equal to -1 times the ratio of specific heats for the particular gas). An overview of the lab procedure used at VMI will be presented along with data obtained for several adiabatic and isothermal processes.

  3. Temperature and compression effects on electron heat capacity and electron-phonon coupling in aluminum and beryllium: Insights from ab initio simulations

    SciTech Connect

    Li, Zi; Li, Chuanying; Wang, Cong; Zhang, Ping; Kang, Wei

    2015-11-15

    Ultrafast laser experiments on metals usually induce a high electron temperature and a low ion temperature and, thus, an energy relaxation process. The electron heat capacity and electron-phonon coupling factor are crucial thermal quantities to describe this process. We perform ab initio theoretical studies to determine these thermal quantities and their dependence on density and electron temperature for the metals aluminum and beryllium. The heat capacity shows an approximately linear dependence on the temperature, similar to free electron gas, and the compression only slightly affects the capacity. The electron-phonon coupling factor increases with both temperature and density, and the change observed for beryllium is more obvious than that for aluminum. The connections between thermal quantities and electronic/atomic structures are discussed in detail, and the different behaviors of aluminum and beryllium are well explained.

  4. Temperature and compression effects on electron heat capacity and electron-phonon coupling in aluminum and beryllium: Insights from ab initio simulations

    NASA Astrophysics Data System (ADS)

    Li, Zi; Wang, Cong; Kang, Wei; Li, Chuanying; Zhang, Ping

    2015-11-01

    Ultrafast laser experiments on metals usually induce a high electron temperature and a low ion temperature and, thus, an energy relaxation process. The electron heat capacity and electron-phonon coupling factor are crucial thermal quantities to describe this process. We perform ab initio theoretical studies to determine these thermal quantities and their dependence on density and electron temperature for the metals aluminum and beryllium. The heat capacity shows an approximately linear dependence on the temperature, similar to free electron gas, and the compression only slightly affects the capacity. The electron-phonon coupling factor increases with both temperature and density, and the change observed for beryllium is more obvious than that for aluminum. The connections between thermal quantities and electronic/atomic structures are discussed in detail, and the different behaviors of aluminum and beryllium are well explained.

  5. On the low-temperature behavior of the critical specific heat capacity of an anharmonic crystal with long-range interaction

    NASA Astrophysics Data System (ADS)

    Pisanova, Ekaterina S.; Krushkov, Angel Y.

    2016-03-01

    An exactly solvable lattice model describing structural phase transitions in an anharmonic crystal with long-range interaction (decreasing at large distances r as r-d-σ, where d is the space dimensionality and 0 < σ ≤ 2) is considered near to its zero-temperature critical point. The low-temperature behavior of the bulk specific heat capacity at the lower classical critical dimension (d = σ) is studied in different regions of the (T, λ)-phase diagram, where T is the temperature and λ is a parameter which switches on quantum fluctuations. From the results obtained one can see that when T → 0+ the specific heat capacity tends to zero in a different way in the regions: (a) renormalized classical region - as T raised to the second power and (b) quantum disordered region - exponentially.

  6. HTFLO: a computer model of a resistively-heated UO/sub 2/ pin with a rate-dependent heat capacity. [LMFBR

    SciTech Connect

    Smaardyk, J.E.

    1980-02-01

    A one-dimensional model is presented to describe the thermal behavior of an uranium dioxide (UO/sub 2/) rod that is heated resistively and cooled by surface radiation. A standard forward differencing scheme is used for the heat transfer calculations. Temperature-dependent electrical and thermal properties are calculated at the beginning of each time step. In addition, the heat capacity is calculated from a dynamic enthalpy model based on equilibrium and instantaneous heat capacity models with a user-selectable relaxation time. This report describes the finite difference equations used, the treatment of the source and boundary terms, and the dynamic enthalpy model. Detailed input instructions are provided and a sample calculation is shown.

  7. Disorder in crystalline phases of chiral glass formers 5 ∗CB and 8 ∗OCB evidenced by the low temperature heat capacity

    NASA Astrophysics Data System (ADS)

    Inaba, Akira; Suzuki, Hal; Krawczyk, Jan; Massalska-Arodź, Maria

    2008-09-01

    The heat capacity of two glass formers 5 ∗CB and 8 ∗OCB, each of which has two crystalline polymorphs (phases I and II) as well as a glass phase, was determined between 0.35 K and 20 K. The T-linear term of the heat capacity becomes significant below 1 K for both glasses. The glassy crystalline phase II of 5 ∗CB also shows such contribution, which is consistent with the existence of a residual entropy. Unexpectedly, however, the 'stable' phase II of 8 ∗OCB shows the similar contribution, indicating that this phase is disordered, whereas the glassy crystalline phase I shows no such contribution.

  8. Analyzing protein folding cooperativity by differential scanning calorimetry and NMR spectroscopy.

    PubMed

    Farber, Patrick; Darmawan, Hariyanto; Sprules, Tara; Mittermaier, Anthony

    2010-05-01

    Some marginally stable proteins undergo microsecond time scale folding reactions that involve significant populations of partly ordered forms, making it difficult to discern individual steps in their folding pathways. It has been suggested that many of these proteins fold non-cooperatively, with no significant barriers to separate the energy landscape into distinct thermodynamic states. Here we present an approach for studying the cooperativity of rapid protein folding with a combination of differential scanning calorimetry (DSC), nuclear magnetic resonance (NMR) relaxation dispersion experiments, and an analysis of the temperature dependence of amide (1)H and (15)N chemical shifts. We applied this method to the PBX homeodomain (PBX-HD), which folds on the microsecond time scale and produces a broad DSC thermogram with an elevated and steeply sloping native-state heat capacity baseline, making it a candidate for barrierless folding. However, by globally fitting the NMR thermal melt and DSC data, and by comparing these results to those obtained from the NMR relaxation dispersion experiments, we show that the native form of the protein undergoes two-state exchange with a small population of the thermally denatured form, well below the melting temperature. This result directly demonstrates the coexistence of distinct folded and unfolded forms and firmly establishes that folding of PBX-HD is cooperative. Further, we see evidence of large-scale structural and dynamical changes within the native state by NMR, which helps to explain the broad and shallow DSC profile. This study illustrates the potential of combining calorimetry with NMR dynamics experiments to dissect mechanisms of protein folding.

  9. Complex Refractive Index, Specific Heat Capacity, and Thermal Conductivity for Crystalline Sb-Te Alloys and ZnS-SiO2 with Various Compositions at High Temperatures

    NASA Astrophysics Data System (ADS)

    Kuwahara, Masashi; Suzuki, Osamu; Yagi, Takashi; Taketoshi, Naoyuki

    2013-12-01

    We have measured the temperature dependence of the complex refractive index, specific heat capacity, and thermal conductivity of crystalline Sb-Te alloys and ZnS-SiO2 with various compositions by using a spectroscopic ellipsometer, differential scanning calorimeter, and nanosecond pulsed light heating thermoreflectance system. The temperature range was set from room temperature to several hundred degrees Celsius. The values of these properties are useful for calculating realistic temperatures in memory devices and for designing device structures.

  10. Heat Capacity of γ-Fe2SiO4 and Thermodynamic Calculation of Fayalite - γ-Fe2SiO4 Phase Transition Boundary

    NASA Astrophysics Data System (ADS)

    Yong, W.; Dachs, E.; Withers, A. C.; Essene, E. J.

    2007-12-01

    The low-temperature heat capacity (Cp) of γ-Fe2SiO4 was measured between 5 and 303 K using the heat capacity option of a physical properties measurement system (PPMS). Fayalite powder was used as the starting material to synthesize the γ-Fe2SiO4 at 8.5 GPa and 1273 K by a 1,000-ton Walker-type multi-anvil device at the university of Minnesota. The heat capacity data were measured at more than 100 different temperatures with both logarithmic spacing and linear spacing. The measured heat capacity data show a broad lambda-transition at 11.8 K, probably related to a paramagnetic-antiferromagnetic transition just like the 65 K transition in fayalite. The difference in the Cp between fayalite and γ-Fe2SiO4 is reduced as the temperature increases in the range of 50-300 K. The Cp and entropy of γ- Fe2SiO4 at standard temperature and pressure (S°298) are 131.1±0.6 J mol-1K-1 and 140.2±0.4 J mol-1K-1, respectively. The Gibbs free energy at standard pressure and temperature (G°f,298) is calculated to be 1,369.3±2.7 J mol-1 based on the new entropy data. Based on current thermodynamic data, the calculated phase boundary for the fayalite - γ- Fe2SiO4 transition at high temperatures and pressures is consistent with the results of previous experimental studies.

  11. CDF (Collider Detector at Fermilab) calorimetry

    SciTech Connect

    Jensen, H.B.

    1987-03-01

    The Collider Detector at Fermilab (CDF) is a large detector built to study 2 TeV anti p p collisions at the Fermilab Tevatron. The calorimetry, which has polar angle coverage from 2 to 178, and complete azimuthal coverage within this region, forms the subject of this paper. It consists of both electromagnetic shower counters (EM calorimeters) and hadron calorimeters, and is segmented into about 5000 ''towers'' or solid angle elements.

  12. Mössbauer spectroscopy, magnetization, magnetic susceptibility, and low temperature heat capacity of α-Na2NpO4

    NASA Astrophysics Data System (ADS)

    Smith, Anna L.; Hen, Amir; Magnani, Nicola; Sanchez, Jean-Pierre; Colineau, Eric; Griveau, Jean-Christophe; Raison, Philippe E.; Caciuffo, Roberto; Konings, Rudy J. M.; Cheetham, Anthony K.

    2016-03-01

    The physical and chemical properties at low temperatures of hexavalent disodium neptunate α-Na2NpO4 are investigated for the first time in this work using Mössbauer spectroscopy, magnetization, magnetic susceptibility, and heat capacity measurements. The Np(VI) valence state is confirmed by the isomer shift value of the Mössbauer spectra, and the local structural environment around the neptunium cation is related to the fitted quadrupole coupling constant and asymmetry parameters. Moreover, magnetic hyperfine splitting is reported below 12.5 K, which could indicate magnetic ordering at this temperature. This interpretation is further substantiated by the existence of a λ-peak at 12.5 K in the heat capacity curve, which is shifted to lower temperatures with the application of a magnetic field, suggesting antiferromagnetic ordering. However, the absence of any anomaly in the magnetization and magnetic susceptibility data shows that the observed transition is more intricate. In addition, the heat capacity measurements suggest the existence of a Schottky-type anomaly above 15 K associated with a low-lying electronic doublet found about 60 cm-1 above the ground state doublet. The possibility of a quadrupolar transition associated with a ground state pseudoquartet is thereafter discussed. The present results finally bring new insights into the complex magnetic and electronic peculiarities of α-Na2NpO4.

  13. The Numerical Comparison of Magnetic Susceptibility and Heat Capacity of TMNIN with the Result of a Quantum Monte Carlo Method for the Haldane System

    NASA Astrophysics Data System (ADS)

    Ito, Masakazu; Mito, Masaki; Deguchi, Hiroyuki; Takeda, Kazuyoshi

    1994-03-01

    The measurements of magnetic heat capacity and susceptibility of one-dimensional S=1 antiferromagnet (CH3)4NNi(NO2)3 (TMNIN) have been carried out in order to make comparison with the theoretical results of a quantum Monte Carlo method for the Haldane system. The results for the heat capacity, which show a broad maximum around 10 K, are well reproduced by the theory with the interaction J/k B=-12.0±1.0 K in the temperature range T>0.2\\mid J\\mid S(S+1)/k_B. The low temperature heat capacity exhibits an exponential decay with gap energy Δ/k B=5.3±0.2 K, which gives {\\mitΔ}=0.44\\mid J\\mid , in contrast to the linear dependence on temperature as in the case for half integer spin. The residual magnetic entropy below 0.7 K is estimated to be 0.07% of Nk B ln 3, which denies the possibility of three-dimensional ordering of the spin system at lower temperatures. The observed susceptibility also agrees with the theory with J/k B=-10.9 K and g=2.02 in the whole temperature region, when we take the effect from the finite length of the chains into consideration.

  14. Rotational tunneling of methyl groups and the electronic heat capacity of EtMe3Sb[Pd(dmit)2]2 under magnetic fields

    NASA Astrophysics Data System (ADS)

    Yamashita, Satoshi; Yoshizumi, Masayuki; Akutsu, Hiroki; Nakazawa, Yasuhiro

    2016-03-01

    In order to discuss the stability of the gapless features in the spin liquid state against magnetic fields, we report results and analyses of low-temperature heat capacity measurements of EtMe3Sb[Pd(dmit)2]2 under magnetic fields. The large upturn of CpT-1 at 0 T observed previously in EtMe3Sb[Pd(dmit)2]2 can be attributed to the rotational tunneling of the methyl groups in the counter cations and this upturn is suppressed by applying magnetic fields. The phenomenological resemblance of the feature under magnetic field was confirmed by comparative discussion of heat capacity measurement of metal complex of [Cu(acac)(OCH3)]2 having similar methyl groups. The gapless character evidenced by the finite electronic heat capacity coefficient, γ was found to be retained upon applying 17 T in EtMe3Sb[Pd(dmit)2]2, which means that spin liquid ground state is stable against high magnetic fields. The finite γ in the spin liquid compounds is considered to be related to a kind of density of states in spin excitations rather than those determined by disorders such as spin glasses.

  15. Temperature dependent electron-phonon coupling and heat capacity in thin slabs of topological insulator Bi2Te3 as pertinent to the thermal spike model

    NASA Astrophysics Data System (ADS)

    Patra, Paramita; Srivastava, S. K.

    2016-07-01

    Electron-phonon coupling strength and electronic heat capacity are essential ingredients of the widely accepted thermal spike model of swift heavy ion matter interaction. The concept, although applicable very well in metals, loses its validity in materials with a band gap, wherein it is customary to take the two quantities merely as adjustable parameters to fit the experimental results. Topological insulators, like Bi2Te3, are quite interesting in this regard because they are also metallic albeit near the surface. In this work, we compute by first-principles the electron density of states of ∼16 Å thick Bi2Te3 slabs of different orientations and demonstrate an unusually high metallicity for the [0 0 1] slab. The density of states is then used to calculate the electron-phonon coupling strength and electronic heat capacity as a function of electron temperature. Strongly electron temperature dependent but weak electron-phonon coupling has been observed, along with systematic deviations of the electronic heat capacity from the linear free-electron metal values.

  16. Assessment of total efficiency in adiabatic engines

    NASA Astrophysics Data System (ADS)

    Mitianiec, W.

    2016-09-01

    The paper presents influence of ceramic coating in all surfaces of the combustion chamber of SI four-stroke engine on working parameters mainly on heat balance and total efficiency. Three cases of engine were considered: standard without ceramic coating, fully adiabatic combustion chamber and engine with different thickness of ceramic coating. Consideration of adiabatic or semi-adiabatic engine was connected with mathematical modelling of heat transfer from the cylinder gas to the cooling medium. This model takes into account changeable convection coefficient based on the experimental formulas of Woschni, heat conductivity of multi-layer walls and also small effect of radiation in SI engines. The simulation model was elaborated with full heat transfer to the cooling medium and unsteady gas flow in the engine intake and exhaust systems. The computer program taking into account 0D model of engine processes in the cylinder and 1D model of gas flow was elaborated for determination of many basic engine thermodynamic parameters for Suzuki DR-Z400S 400 cc SI engine. The paper presents calculation results of influence of the ceramic coating thickness on indicated pressure, specific fuel consumption, cooling and exhaust heat losses. Next it were presented comparisons of effective power, heat losses in the cooling and exhaust systems, total efficiency in function of engine rotational speed and also comparison of temperature inside the cylinder for standard, semi-adiabatic and full adiabatic engine. On the basis of the achieved results it was found higher total efficiency of adiabatic engines at 2500 rpm from 27% for standard engine to 37% for full adiabatic engine.

  17. Graph isomorphism and adiabatic quantum computing

    NASA Astrophysics Data System (ADS)

    Gaitan, Frank; Clark, Lane

    2014-02-01

    In the graph isomorphism (GI) problem two N-vertex graphs G and G' are given and the task is to determine whether there exists a permutation of the vertices of G that preserves adjacency and transforms G →G'. If yes, then G and G' are said to be isomorphic; otherwise they are nonisomorphic. The GI problem is an important problem in computer science and is thought to be of comparable difficulty to integer factorization. In this paper we present a quantum algorithm that solves arbitrary instances of GI and which also provides an approach to determining all automorphisms of a given graph. We show how the GI problem can be converted to a combinatorial optimization problem that can be solved using adiabatic quantum evolution. We numerically simulate the algorithm's quantum dynamics and show that it correctly (i) distinguishes nonisomorphic graphs; (ii) recognizes isomorphic graphs and determines the permutation(s) that connect them; and (iii) finds the automorphism group of a given graph G. We then discuss the GI quantum algorithm's experimental implementation, and close by showing how it can be leveraged to give a quantum algorithm that solves arbitrary instances of the NP-complete subgraph isomorphism problem. The computational complexity of an adiabatic quantum algorithm is largely determined by the minimum energy gap Δ (N) separating the ground and first-excited states in the limit of large problem size N ≫1. Calculating Δ (N) in this limit is a fundamental open problem in adiabatic quantum computing, and so it is not possible to determine the computational complexity of adiabatic quantum algorithms in general, nor consequently, of the specific adiabatic quantum algorithms presented here. Adiabatic quantum computing has been shown to be equivalent to the circuit model of quantum computing, and so development of adiabatic quantum algorithms continues to be of great interest.

  18. A novel optical calorimetry dosimetry approach applied to an HDR Brachytherapy source

    NASA Astrophysics Data System (ADS)

    Cavan, A.; Meyer, J.

    2013-06-01

    The technique of Digital Holographic Interferometry (DHI) is applied to the measurement of radiation absorbed dose distribution in water. An optical interferometer has been developed that captures the small variations in the refractive index of water due to the radiation induced temperature increase ΔT. The absorbed dose D is then determined with high temporal and spatial resolution using the calorimetric relation D=cΔT (where c is the specific heat capacity of water). The method is capable of time resolving 3D spatial calorimetry. As a proof-of-principle of the approach, a prototype DHI dosimeter was applied to the measurement of absorbed dose from a High Dose Rate (HDR) Brachytherapy source. Initial results are in agreement with modelled doses from the Brachyvision treatment planning system, demonstrating the viability of the system for high dose rate applications. Future work will focus on applying corrections for heat diffusion and geometric effects. The method has potential to contribute to the dosimetry of diverse high dose rate applications which require high spatial resolution such as microbeam radiotherapy (MRT) or small field proton beam dosimetry but may potentially also be useful for interface dosimetry.

  19. A conceptual approach for noncontact calorimetry in space

    NASA Technical Reports Server (NTRS)

    Fecht, H. J.; Johnson, W. L.

    1991-01-01

    A concept is developed and described which allows to measure the heat capacity and the effective thermal conductivity of stable and undercooled liquid metals and alloys in an electromagnetic levitation apparatus. A proposal is made to use an ac pulse heating method which is used nowadays as a standard technique for precision measurement of low-temperature heat capacities. The ideal process parameters, including the drop diameter D, temperature T, and frequency of measurement omega, can be optimized when the following relations hold for the external and internal relaxation time constants tau-1 and tau-2, respectively: omega(tau-1) greater than 10 and omega(tau-2) less than 0.1. Then, heat capacity data can be obtained with an accuracy of better than 1 percent with D about 5 to 10 mm, T between 1200 and 1800 K, and omega between 0.1 and 1 Hz for typical metals and alloys.

  20. An isothermal titration and differential scanning calorimetry study of the G-quadruplex DNA-insulin interaction.

    PubMed

    Timmer, Christine M; Michmerhuizen, Nicole L; Witte, Amanda B; Van Winkle, Margaret; Zhou, Dejian; Sinniah, Kumar

    2014-02-20

    The binding of insulin to the G-quadruplexes formed by the consensus sequence of the insulin-linked polymorphic region (ILPR) was investigated with differential scanning calorimetry (DSC) and isothermal titration calorimetry (ITC). The thermal denaturation temperature of insulin was increased by almost 4 °C upon binding to ILPR G-quadruplex DNA as determined by DSC. The thermodynamic parameters (K(D), ΔH, ΔG, and ΔS) of the insulin-G-quadruplex complex were further investigated by temperature-dependent ITC measurement over the range of 10-37 °C. The binding of insulin to the ILPR consensus sequence displays micromolar affinity in phosphate buffer at pH 7.4, which is mainly driven by entropic factors below 25 °C but by enthalpic terms above 30 °C. The interaction was also examined in several different buffers, and results showed that the observed ΔH is dependent on the ionization enthalpy of the buffer used. This indicates proton release upon the binding of G-quadruplex DNA to insulin. Additionally, the large negative change in heat capacity for this interaction may be associated with the dominant hydrophobicity of the amino acid sequence of insulin's β subunit, which is known to bind to the ILPR G-quadruplex DNA. PMID:24459986

  1. Differential scanning calorimetry and fluorescence study of lactoperoxidase as a function of guanidinium-HCl, urea and pH

    PubMed Central

    ZELENT, Bogumil; SHARP, Kim A.; VANDERKOOI, Jane M.

    2010-01-01

    The stability of bovine lactoperoxidase to denaturation by guanidinium-HCl, urea or high temperature was examined by differential scanning calorimetry (DSC) and tryptophan fluorescence. The calorimetric scans were observed to be dependent upon the heating scan rate, indicating that lactoperoxidase stability at temperatures near Tm is controlled by kinetics. The values for the thermal transition, Tm, at slow heating scan rate were 66.8, 61.1 and 47.2°C in the presence of 0.5, 1 and 2 M guanidinium-HCl, respectively. Extrapolated value for Tm in the absence of guanidinium-HCl is 73.7°C, compared with 70.2°C obtained by experiment; a lower experimental value without denaturant is consistent with distortion of the thermal profile due to aggregation or other irreversible phenomenon. Values for the heat capacity, Cp, at Tm and Ea for the thermal transition decrease under conditions where Tm is lowered. At a given concentration, urea is less effective than guanidinium-HCl in reducing Tm, but urea reduces Cp relatively more. Both fluorescence and DSC indicate that thermally denatured protein is not random coil. A change in fluorescence around 35°C, which was previously reported for EPR and CD measurements (Boscolo et al. Biochim. Biophys. Acta 1174 (2007) 1164–1172), is not seen by calorimetry, suggesting that a local and not global change in protein conformation produces this fluorescence change. PMID:20298816

  2. Differential scanning calorimetry and fluorescence study of lactoperoxidase as a function of guanidinium-HCl, urea, and pH.

    PubMed

    Zelent, Bogumil; Sharp, Kim A; Vanderkooi, Jane M

    2010-07-01

    The stability of bovine lactoperoxidase to denaturation by guanidinium-HCl, urea, or high temperature was examined by differential scanning calorimetry (DSC) and tryptophan fluorescence. The calorimetric scans were observed to be dependent on the heating scan rate, indicating that lactoperoxidase stability at temperatures near Tm is controlled by kinetics. The values for the thermal transition, Tm, at slow heating scan rate were 66.8, 61.1, and 47.2 degrees C in the presence of 0.5, 1, and 2 M guanidinium-HCl, respectively. The extrapolated value for Tm in the absence of guanidinium-HCl is 73.7 degrees C, compared with 70.2 degrees C obtained by experiment; a lower experimental value without a denaturant is consistent with distortion of the thermal profile due to aggregation or other irreversible phenomenon. Values for the heat capacity, Cp, at Tm and Ea for the thermal transition decrease under conditions where Tm is lowered. At a given concentration, urea is less effective than guanidinium-HCl in reducing Tm, but urea reduces Cp relatively more. Both fluorescence and DSC indicate that thermally denatured protein is not random coil. A change in fluorescence around 35 degrees C, which was previously reported for EPR and CD measurements (Boscolo et al. Biochim. Biophys. Acta 1774 (2007) 1164-1172), is not seen by calorimetry, suggesting that a local and not a global change in protein conformation produces this fluorescence change.

  3. Aggregation property of glycyrrhizic acid and its interaction with cyclodextrins analyzed by dynamic light scattering, isothermal titration calorimetry, and NMR.

    PubMed

    Izutani, Yusuke; Kanaori, Kenji; Oda, Masayuki

    2014-06-17

    The structural properties of glycyrrhizic acid, a sweet-tasting constituent of Glycyrrhiza glabra, and its interaction with cyclodextrins were analyzed using dynamic light scattering, isothermal titration calorimetry, and NMR. The dynamic light scattering and NMR studies showed that glycyrrhizic acid forms a water-soluble aggregate that disperses upon the addition of γ-cyclodextrin. The high sweetness of glycyrrhizic acid can be closely correlated with this aggregation, because the multimers of glycyrrhizic acid can simultaneously bind to the sweet taste receptors on the human tongue. The isothermal titration calorimetry experiments demonstrated that γ-cyclodextrin binds to glycyrrhizic acid more strongly than β-cyclodextrin, however, both reactions are accompanied by a favorable change in binding entropy. Considering the large negative change in heat capacity that is observed during the binding of γ-cyclodextrin, the main driving force for the binding is hydrophobic interactions with dehydration, which is typical for inclusion complex. NMR experiments showed that γ-cyclodextrin interacts with the central part of the aglycone moiety, not the glucuronic acid moieties, resulting in high binding affinity. It should also be noted that the two distinct complexes of glycyrrhizic acid with γ-cyclodextrin would exist in aqueous solution.

  4. Anharmonic phonon quasiparticle theory of zero-point and thermal shifts in insulators: Heat capacity, bulk modulus, and thermal expansion

    NASA Astrophysics Data System (ADS)

    Allen, Philip B.

    2015-08-01

    The quasiharmonic (QH) approximation uses harmonic vibrational frequencies ωQ ,H(V ) computed at volumes V near V0 where the Born-Oppenheimer (BO) energy Eel(V ) is minimum. When this is used in the harmonic free energy, QH approximation gives a good zeroth order theory of thermal expansion and first-order theory of bulk modulus, where nth-order means smaller than the leading term by ɛn, where ɛ =ℏ ωvib/Eel or kBT /Eel , and Eel is an electronic energy scale, typically 2 to 10 eV. Experiment often shows evidence for next-order corrections. When such corrections are needed, anharmonic interactions must be included. The most accessible measure of anharmonicity is the quasiparticle (QP) energy ωQ(V ,T ) seen experimentally by vibrational spectroscopy. However, this cannot just be inserted into the harmonic free energy FH. In this paper, a free energy is found that corrects the double-counting of anharmonic interactions that is made when F is approximated by FH( ωQ(V ,T ) ) . The term "QP thermodynamics" is used for this way of treating anharmonicity. It enables (n +1 ) -order corrections if QH theory is accurate to order n . This procedure is used to give corrections to the specific heat and volume thermal expansion. The QH formulas for isothermal (BT) and adiabatic (BS) bulk moduli are clarified, and the route to higher-order corrections is indicated.

  5. Accurate adiabatic correction in the hydrogen molecule

    NASA Astrophysics Data System (ADS)

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-01

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10-12 at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H2, HD, HT, D2, DT, and T2 has been determined. For the ground state of H2 the estimated precision is 3 × 10-7 cm-1, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.

  6. Accurate adiabatic correction in the hydrogen molecule

    SciTech Connect

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-14

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10{sup −12} at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H{sub 2}, HD, HT, D{sub 2}, DT, and T{sub 2} has been determined. For the ground state of H{sub 2} the estimated precision is 3 × 10{sup −7} cm{sup −1}, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.

  7. Accurate adiabatic correction in the hydrogen molecule.

    PubMed

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-14

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10(-12) at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H2, HD, HT, D2, DT, and T2 has been determined. For the ground state of H2 the estimated precision is 3 × 10(-7) cm(-1), which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels. PMID:25494728

  8. Energy efficiency of adiabatic superconductor logic

    NASA Astrophysics Data System (ADS)

    Takeuchi, Naoki; Yamanashi, Yuki; Yoshikawa, Nobuyuki

    2015-01-01

    Adiabatic superconductor logic (ASL), including adiabatic quantum-flux-parametron (AQFP) logic, exhibits high energy efficiency because its bit energy can be decreased below the thermal energy through adiabatic switching operations. In the present paper, we present the general scaling laws of ASL and compare the energy efficiency of ASL with those of other energy-efficient logics. Also, we discuss the minimum energy-delay product (EDP) of ASL at finite temperature. Our study shows that there is a maximum temperature at which the EDP can reach the quantum limit given by ħ/2, which is dependent on the superconductor material and the Josephson junction quality, and that it is reasonable to operate ASL at cryogenic temperatures in order to achieve an EDP that approaches ħ/2.

  9. Adiabatic approximation for the density matrix

    NASA Astrophysics Data System (ADS)

    Band, Yehuda B.

    1992-05-01

    An adiabatic approximation for the Liouville density-matrix equation which includes decay terms is developed. The adiabatic approximation employs the eigenvectors of the non-normal Liouville operator. The approximation is valid when there exists a complete set of eigenvectors of the non-normal Liouville operator (i.e., the eigenvectors span the density-matrix space), the time rate of change of the Liouville operator is small, and an auxiliary matrix is nonsingular. Numerical examples are presented involving efficient population transfer in a molecule by stimulated Raman scattering, with the intermediate level of the molecule decaying on a time scale that is fast compared with the pulse durations of the pump and Stokes fields. The adiabatic density-matrix approximation can be simply used to determine the density matrix for atomic or molecular systems interacting with cw electromagnetic fields when spontaneous emission or other decay mechanisms prevail.

  10. Adiabaticity and viscosity in deep mantle convection

    NASA Technical Reports Server (NTRS)

    Quareni, F.; Yuen, D. A.; Saari, M. R.

    1986-01-01

    A study has been conducted of steady convection with adiabatic and viscous heating for variable viscosity in the Boussinesq limit using the mean-field theory. A strong nonlinear coupling is found between the thermodynamic constants governing adiabatic heating and the rheological parameters. The range of rheological values for which adiabaticity would occur throughout the mantle has been established. Too large an activation volume, greater than 6 cu cm/mol for the cases examined, would produce unreasonably high temperature at the bottom of the mantle (greater than 6000 K) and superadiabatic gradients, especially in the lower mantle. Radiogenic heating plays a profound role in controlling dynamically mantle temperatures. Present values for the averaged mantle heat production would yield objectionably high temperatures in the lower mantle.

  11. Nonadiabatic exchange dynamics during adiabatic frequency sweeps

    NASA Astrophysics Data System (ADS)

    Barbara, Thomas M.

    2016-04-01

    A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging.

  12. Calorimetry of the CMD-3 detector

    NASA Astrophysics Data System (ADS)

    Shebalin, V. E.; Akhmetshin, R. R.; Anisenkov, A. V.; Aulchenko, V. M.; Bashtovoy, N. S.; Epifanov, D. A.; Epshteyn, L. B.; Erofeev, A. L.; Grebenuk, A. A.; Grigoriev, D. N.; Ignatov, F. V.; Kazanin, V. F.; Kovalenko, O. A.; Kozyrev, A. N.; Kuzmenko, A. E.; Kuzmin, A. S.; Logashenko, I. B.; Mikhailov, K. Yu.; Okhapkin, V. S.; Razuvaev, G. P.; Ruban, A. A.; Shwartz, B. A.; Titov, V. M.; Talyshev, A. A.; Yudin, Yu. V.

    2016-07-01

    CMD-3 is a general purpose detector designed to study e+e- annihilation into hadrons. It is mounted at VEPP-2000 collider which operates in the wide energy range, E c . m . s = 0.32 - 2 GeV. The calorimetry at the detector is based on three subsystems: closest to the beam pipe barrel Liquid Xenon calorimeter, outer barrel calorimeter based on CsI scintillation crystals and the endcap calorimeter made of BGO scintillation crystals. We describe the structure of the calorimeters, their electronics and the energy calibration procedures.

  13. G-2 and CMS fast optical calorimetry

    SciTech Connect

    Winn, David R.

    2001-06-01

    The following projects are discussed: (A) Operation of the muon g-2 experiment at Brookhaven National Lab (Experiment E821), especially the pulsed laser calibration system, to test the standard model of forces, and to see if new forces may exist in the vacuum. (B) The second part of this project developed fast optical forward Cerenkov jet calorimetry used in the CMS experiment collaboration (US lead organization FermiLab) at CERN on the Large Hadron Collider, designed to detect new physics at the TeV scale, such as supersymmetry and the Higgs boson.

  14. On adiabatic invariant in generalized Galileon theories

    SciTech Connect

    Ema, Yohei; Jinno, Ryusuke; Nakayama, Kazunori; Mukaida, Kyohei E-mail: jinno@hep-th.phys.s.u-tokyo.ac.jp E-mail: kazunori@hep-th.phys.s.u-tokyo.ac.jp

    2015-10-01

    We consider background dynamics of generalized Galileon theories in the context of inflation, where gravity and inflaton are non-minimally coupled to each other. In the inflaton oscillation regime, the Hubble parameter and energy density oscillate violently in many cases, in contrast to the Einstein gravity with minimally coupled inflaton. However, we find that there is an adiabatic invariant in the inflaton oscillation regime in any generalized Galileon theory. This adiabatic invariant is useful in estimating the expansion law of the universe and also the particle production rate due to the oscillation of the Hubble parameter.

  15. Spontaneous emission in stimulated Raman adiabatic passage

    SciTech Connect

    Ivanov, P. A.; Vitanov, N. V.; Bergmann, K.

    2005-11-15

    This work explores the effect of spontaneous emission on the population transfer efficiency in stimulated Raman adiabatic passage (STIRAP). The approach uses adiabatic elimination of weakly coupled density matrix elements in the Liouville equation, from which a very accurate analytic approximation is derived. The loss of population transfer efficiency is found to decrease exponentially with the factor {omega}{sub 0}{sup 2}/{gamma}, where {gamma} is the spontaneous emission rate and {omega}{sub 0} is the peak Rabi frequency. The transfer efficiency increases with the pulse delay and reaches a steady value. For large pulse delay and large spontaneous emission rate STIRAP degenerates into optical pumping.

  16. Adiabatic Hyperspherical Analysis of Realistic Nuclear Potentials

    NASA Astrophysics Data System (ADS)

    Daily, K. M.; Kievsky, Alejandro; Greene, Chris H.

    2015-12-01

    Using the hyperspherical adiabatic method with the realistic nuclear potentials Argonne V14, Argonne V18, and Argonne V18 with the Urbana IX three-body potential, we calculate the adiabatic potentials and the triton bound state energies. We find that a discrete variable representation with the slow variable discretization method along the hyperradial degree of freedom results in energies consistent with the literature. However, using a Laguerre basis results in missing energy, even when extrapolated to an infinite number of basis functions and channels. We do not include the isospin T = 3/2 contribution in our analysis.

  17. Complexity of the Quantum Adiabatic Algorithm

    NASA Technical Reports Server (NTRS)

    Hen, Itay

    2013-01-01

    The Quantum Adiabatic Algorithm (QAA) has been proposed as a mechanism for efficiently solving optimization problems on a quantum computer. Since adiabatic computation is analog in nature and does not require the design and use of quantum gates, it can be thought of as a simpler and perhaps more profound method for performing quantum computations that might also be easier to implement experimentally. While these features have generated substantial research in QAA, to date there is still a lack of solid evidence that the algorithm can outperform classical optimization algorithms.

  18. Effect of nanoparticles on heat capacity of nanofluids based on molten salts as PCM for thermal energy storage

    PubMed Central

    2013-01-01

    In this study, different nanofluids with phase change behavior were developed by mixing a molten salt base fluid (selected as phase change material) with nanoparticles using the direct-synthesis method. The thermal properties of the nanofluids obtained were investigated. These nanofluids can be used in concentrating solar plants with a reduction of storage material if an improvement in the specific heat is achieved. The base salt mixture was a NaNO3-KNO3 (60:40 ratio) binary salt. The nanoparticles used were silica (SiO2), alumina (Al2O3), titania (TiO2), and a mix of silica-alumina (SiO2-Al2O3). Three weight fractions were evaluated: 0.5, 1.0, and 1.5 wt.%. Each nanofluid was prepared in water solution, sonicated, and evaporated. Measurements on thermophysical properties were performed by differential scanning calorimetry analysis and the dispersion of the nanoparticles was analyzed by scanning electron microscopy (SEM). The results obtained show that the addition of 1.0 wt.% of nanoparticles to the base salt increases the specific heat of 15% to 57% in the solid phase and of 1% to 22% in the liquid phase. In particular, this research shows that the addition of silica-alumina nanoparticles has a significant potential for enhancing the thermal storage characteristics of the NaNO3-KNO3 binary salt. These results deviated from the predictions of the theoretical model used. SEM suggests a greater interaction between these nanoparticles and the salt. PMID:24168168

  19. Effect of nanoparticles on heat capacity of nanofluids based on molten salts as PCM for thermal energy storage

    NASA Astrophysics Data System (ADS)

    Chieruzzi, Manila; Cerritelli, Gian F.; Miliozzi, Adio; Kenny, José M.

    2013-10-01

    In this study, different nanofluids with phase change behavior were developed by mixing a molten salt base fluid (selected as phase change material) with nanoparticles using the direct-synthesis method. The thermal properties of the nanofluids obtained were investigated. These nanofluids can be used in concentrating solar plants with a reduction of storage material if an improvement in the specific heat is achieved. The base salt mixture was a NaNO3-KNO3 (60:40 ratio) binary salt. The nanoparticles used were silica (SiO2), alumina (Al2O3), titania (TiO2), and a mix of silica-alumina (SiO2-Al2O3). Three weight fractions were evaluated: 0.5, 1.0, and 1.5 wt.%. Each nanofluid was prepared in water solution, sonicated, and evaporated. Measurements on thermophysical properties were performed by differential scanning calorimetry analysis and the dispersion of the nanoparticles was analyzed by scanning electron microscopy (SEM). The results obtained show that the addition of 1.0 wt.% of nanoparticles to the base salt increases the specific heat of 15% to 57% in the solid phase and of 1% to 22% in the liquid phase. In particular, this research shows that the addition of silica-alumina nanoparticles has a significant potential for enhancing the thermal storage characteristics of the NaNO3-KNO3 binary salt. These results deviated from the predictions of the theoretical model used. SEM suggests a greater interaction between these nanoparticles and the salt.

  20. Effect of nanoparticles on heat capacity of nanofluids based on molten salts as PCM for thermal energy storage.

    PubMed

    Chieruzzi, Manila; Cerritelli, Gian F; Miliozzi, Adio; Kenny, José M

    2013-10-29

    In this study, different nanofluids with phase change behavior were developed by mixing a molten salt base fluid (selected as phase change material) with nanoparticles using the direct-synthesis method. The thermal properties of the nanofluids obtained were investigated. These nanofluids can be used in concentrating solar plants with a reduction of storage material if an improvement in the specific heat is achieved. The base salt mixture was a NaNO3-KNO3 (60:40 ratio) binary salt. The nanoparticles used were silica (SiO2), alumina (Al2O3), titania (TiO2), and a mix of silica-alumina (SiO2-Al2O3). Three weight fractions were evaluated: 0.5, 1.0, and 1.5 wt.%. Each nanofluid was prepared in water solution, sonicated, and evaporated. Measurements on thermophysical properties were performed by differential scanning calorimetry analysis and the dispersion of the nanoparticles was analyzed by scanning electron microscopy (SEM). The results obtained show that the addition of 1.0 wt.% of nanoparticles to the base salt increases the specific heat of 15% to 57% in the solid phase and of 1% to 22% in the liquid phase. In particular, this research shows that the addition of silica-alumina nanoparticles has a significant potential for enhancing the thermal storage characteristics of the NaNO3-KNO3 binary salt. These results deviated from the predictions of the theoretical model used. SEM suggests a greater interaction between these nanoparticles and the salt.

  1. Towards fault tolerant adiabatic quantum computation.

    PubMed

    Lidar, Daniel A

    2008-04-25

    I show how to protect adiabatic quantum computation (AQC) against decoherence and certain control errors, using a hybrid methodology involving dynamical decoupling, subsystem and stabilizer codes, and energy gaps. Corresponding error bounds are derived. As an example, I show how to perform decoherence-protected AQC against local noise using at most two-body interactions.

  2. Dynamical aspects of an adiabatic piston.

    PubMed

    Munakata, T; Ogawa, H

    2001-09-01

    Dynamical aspects of an adiabatic piston are investigated, based on the mass ratio expansion of the master equation for the piston velocity distribution function. Simple theory for piston motion and relaxation of an ideal gas in a cylinder turns out to reproduce our numerical experiments quantitatively.

  3. Adiabatic reversible compression: a molecular view

    NASA Astrophysics Data System (ADS)

    Miranda, E. N.

    2002-07-01

    The adiabatic compression (or expansion) of an ideal gas has been analysed. Using the kinetic theory of gases the usual relation between temperature and volume is obtained, while textbooks follow a thermodynamic approach. In this way we show, once again, the agreement between a macroscopic view (thermodynamics) and a microscopic one (kinetic theory).

  4. Dynamical aspects of an adiabatic piston

    NASA Astrophysics Data System (ADS)

    Munakata, Toyonori; Ogawa, Hideki

    2001-09-01

    Dynamical aspects of an adiabatic piston are investigated, based on the mass ratio expansion of the master equation for the piston velocity distribution function. Simple theory for piston motion and relaxation of an ideal gas in a cylinder turns out to reproduce our numerical experiments quantitatively.

  5. Adiabatic Compression in a Fire Syringe.

    ERIC Educational Resources Information Center

    Hayn, Carl H.; Baird, Scott C.

    1985-01-01

    Suggests using better materials in fire syringes to obtain more effective results during demonstrations which show the elevation in temperature upon a very rapid (adiabatic) compression of air. Also describes an experiment (using ignition temperatures) which introduces students to the use of thermocouples for high temperature measurements. (DH)

  6. Time dependence of adiabatic particle number

    NASA Astrophysics Data System (ADS)

    Dabrowski, Robert; Dunne, Gerald V.

    2016-09-01

    We consider quantum field theoretic systems subject to a time-dependent perturbation, and discuss the question of defining a time-dependent particle number not just at asymptotic early and late times, but also during the perturbation. Naïvely, this is not a well-defined notion for such a nonequilibrium process, as the particle number at intermediate times depends on a basis choice of reference states with respect to which particles and antiparticles are defined, even though the final late-time particle number is independent of this basis choice. The basis choice is associated with a particular truncation of the adiabatic expansion. The adiabatic expansion is divergent, and we show that if this divergent expansion is truncated at its optimal order, a universal time dependence is obtained, confirming a general result of Dingle and Berry. This optimally truncated particle number provides a clear picture of quantum interference effects for perturbations with nontrivial temporal substructure. We illustrate these results using several equivalent definitions of adiabatic particle number: the Bogoliubov, Riccati, spectral function and Schrödinger picture approaches. In each approach, the particle number may be expressed in terms of the tiny deviations between the exact and adiabatic solutions of the Ermakov-Milne equation for the associated time-dependent oscillators.

  7. Apparatus to Measure Adiabatic and Isothermal Processes.

    ERIC Educational Resources Information Center

    Lamb, D. W.; White, G. M.

    1996-01-01

    Describes a simple manual apparatus designed to serve as an effective demonstration of the differences between isothermal and adiabatic processes for the general or elementary physics student. Enables students to verify Boyle's law for slow processes and identify the departure from this law for rapid processes and can also be used to give a clear…

  8. Adiabatic Mass Parameters for Spontaneous Fission

    SciTech Connect

    Baran, A.; Sheikh, J. A.; Nazarewicz, Witold

    2009-01-01

    The collective mass tensor derived from the adiabatic time-dependent Hartree-Fock-Bogoliubov theory, perturbative cranking approximation, and the Gaussian overlap approximation to the generator-coordinate method is discussed. Illustrative calculations are carried out for ^{252}Fm using the nuclear density functional theory with Skyrme interaction SkM* and seniority pairing.

  9. Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics

    NASA Astrophysics Data System (ADS)

    Albert, Julian; Kaiser, Dustin; Engel, Volker

    2016-05-01

    Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.

  10. Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics.

    PubMed

    Albert, Julian; Kaiser, Dustin; Engel, Volker

    2016-05-01

    Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.

  11. The dynamic instability of adiabatic blast waves

    NASA Technical Reports Server (NTRS)

    Ryu, Dongsu; Vishniac, Ethan T.

    1991-01-01

    Adiabatic blastwaves, which have a total energy injected from the center E varies as t(sup q) and propagate through a preshock medium with a density rho(sub E) varies as r(sup -omega) are described by a family of similarity solutions. Previous work has shown that adiabatic blastwaves with increasing or constant postshock entropy behind the shock front are susceptible to an oscillatory instability, caused by the difference between the nature of the forces on the two sides of the dense shell behind the shock front. This instability sets in if the dense postshock layer is sufficiently thin. The stability of adiabatic blastwaves with a decreasing postshock entropy is considered. Such blastwaves, if they are decelerating, always have a region behind the shock front which is subject to convection. Some accelerating blastwaves also have such region, depending on the values of q, omega, and gamma where gamma is the adiabatic index. However, since the shock interface stabilizes dynamically induced perturbations, blastwaves become convectively unstable only if the convective zone is localized around the origin or a contact discontinuity far from the shock front. On the other hand, the contact discontinuity of accelerating blastwaves is subject to a strong Rayleigh-Taylor instability. The frequency spectra of the nonradial, normal modes of adiabatic blastwaves have been calculated. The results have been applied to the shocks propagating through supernovae envelopes. It is shown that the metal/He and He/H interfaces are strongly unstable against the Rayleigh-Taylor instability. This instability will induce mixing in supernovae envelopes. In addition the implications of this work for the evolution of planetary nebulae is discussed.

  12. Adiabatic burst evaporation from bicontinuous nanoporous membranes

    PubMed Central

    Ichilmann, Sachar; Rücker, Kerstin; Haase, Markus; Enke, Dirk

    2015-01-01

    Evaporation of volatile liquids from nanoporous media with bicontinuous morphology and pore diameters of a few 10 nm is an ubiquitous process. For example, such drying processes occur during syntheses of nanoporous materials by sol–gel chemistry or by spinodal decomposition in the presence of solvents as well as during solution impregnation of nanoporous hosts with functional guests. It is commonly assumed that drying is endothermic and driven by non-equilibrium partial pressures of the evaporating species in the gas phase. We show that nearly half of the liquid evaporates in an adiabatic mode involving burst-like liquid-to-gas conversions. During single adiabatic burst evaporation events liquid volumes of up to 107 μm3 are converted to gas. The adiabatic liquid-to-gas conversions occur if air invasion fronts get unstable because of the built-up of high capillary pressures. Adiabatic evaporation bursts propagate avalanche-like through the nanopore systems until the air invasion fronts have reached new stable configurations. Adiabatic cavitation bursts thus compete with Haines jumps involving air invasion front relaxation by local liquid flow without enhanced mass transport out of the nanoporous medium and prevail if the mean pore diameter is in the range of a few 10 nm. The results reported here may help optimize membrane preparation via solvent-based approaches, solution-loading of nanopore systems with guest materials as well as routine use of nanoporous membranes with bicontinuous morphology and may contribute to better understanding of adsorption/desorption processes in nanoporous media. PMID:25926406

  13. Differential scanning calorimetry and /sup 2/H NMR studies of the phase behavior of gramicidin-phosphatidylcholine mixtures

    SciTech Connect

    Morrow, M.R.; Davis, J.H.

    1988-03-22

    The extents of two-phase coexistence in the phase diagrams of mixtures of gramicidin with 1,2-bis(perdeuteriopalmitoyl)-sn-glycero-3-phosphocholine (DPPC-d62) and with 1,2-bis(perdeuteriomyristoyl)-sn-glycero-3-phosphocholine (DMPC-d54) mixtures have been explored with differential scanning calorimetry (DSC) and deuterium nuclear magnetic resonance (/sup 2/H NMR). For both systems, increased gramicidin content causes a decrease in transition enthalpy and a broadening of the peak in excess heat capacity at the transition. In DMPC-d54-based mixtures, the broadening is roughly symmetric about the pure lipid transition temperature. Addition of gramicidin to DPPC-d62 extends the excess heat capacity peak on the low-temperature side, resulting in a slightly asymmetric scan. Deuterium NMR spectra showing a superposition of gel and liquid-crystalline components, observed for both mixtures, indicate the presence of two-phase coexistence. For the DPPC-d62-based mixtures, two-phase coexistence is restricted to an approximately 2 degrees C temperature range below the pure transition temperature. For DMPC-d54-based mixtures, the region of two-phase coexistence is even narrower. For both mixtures, beyond a gramicidin mole fraction of 2%, distinct gel and liquid-crystal contributions to the spectra cannot be distinguished. Along with the broad featureless nature of the DSC scan in this region, this is taken to indicate that the transition has been replaced by a continuous phase change. These results are consistent with the existence of a closed two-phase region having a critical concentration of gramicidin below 2 mol%.

  14. A Calorimetric Method for Determination of Heat Capacity of Ceramics for Concentrated Solar Thermal Systems / Skenējošās Kalorimetrijas Metode Siltumietilpības Noteikšanai Saules Kolektoru Keramikā

    NASA Astrophysics Data System (ADS)

    Kalnačs, J.; Grehovs, V.; Mežinskis, G.; Bidermanis, L.

    2013-10-01

    Differential scanning calorimetry was carried out to determine the heat capacity (Cp) of the high temperature resistant ceramic materials to be used as protective coatings for stainless steel tubes of parabolic trough solar collectors in concentrated solar power (CSP) systems. The Ср(Т) measurements and calculations were performed at continuous scanning in the temperature range 20-800 °С. In the work, calibration curves have been derived for conversion of measuring units from mcV into mW. To achieve a better repeatability of measurements, methods for stabilization of the thermal contact between the sample-containing vessel and the probe have been developed. The Ср(Т) dependence was obtained for different ceramic materials. Rakstā izklāstīta izstrādātā metodika keramikas un emalju siltumietilpības noteikšanai pēc diferenciālās skenējošās kalorimetrijas mērījumiem. Parādīta virkne traucējošo faktoru kalibrēšanas līknes un mērījumu veikšanai, piedāvātas metodes to samazināšanai vai novēršanai, precīzāku rezultātu ieguvei. Noteikta siltumietilpības atkarība no temperatūras virknei emalju, kas var tikt izmantotas saules siltuma kolektoros, kā aizsargpārklājumi. Parādīta siltumietilpības noteikšanas atkārtojamības atkarība no siltuma kontakta. Izstrādāta metode termiskā kontakta stabilizācijai. Virknei emalju noteikta siltumietilpības atkarība no temperatūras diapazonā 20 - 800°С.

  15. Isothermal Titration Calorimetry to Characterize Enzymatic Reactions.

    PubMed

    Mazzei, Luca; Ciurli, Stefano; Zambelli, Barbara

    2016-01-01

    Isothermal titration calorimetry (ITC) is a technique that measures the heat released or absorbed during a chemical reaction as an intrinsic probe to characterize any chemical process that involves heat changes spontaneously occurring during the reaction. The general features of this method to determine the kinetic and thermodynamic parameters of enzymatic reactions (kcat, KM, ΔH) are described and discussed here together with some detailed applications to specific cases. ITC does not require any modification or labeling of the system under analysis, can be performed in solution, and needs only small amounts of enzyme. These properties make ITC an invaluable, powerful, and unique tool to extend the knowledge of enzyme kinetics to drug discovery.

  16. Isothermal Titration Calorimetry of Chiral Polymeric Nanoparticles.

    PubMed

    Werber, Liora; Preiss, Laura C; Landfester, Katharina; Muñoz-Espí, Rafael; Mastai, Yitzhak

    2015-09-01

    Chiral polymeric nanoparticles are of prime importance, mainly due to their enantioselective potential, for many applications such as catalysis and chiral separation in chromatography. In this article we report on the preparation of chiral polymeric nanoparticles by miniemulsion polymerization. In addition, we describe the use of isothermal titration calorimetry (ITC) to measure the chiral interactions and the energetics of the adsorption of enantiomers from aqueous solutions onto chiral polymeric nanoparticles. The characterization of chirality in nano-systems is a very challenging task; here, we demonstrate that ITC can be used to accurately determine the thermodynamic parameters associated with the chiral interactions of nanoparticles. The use of ITC to measure the energetics of chiral interactions and recognition at the surfaces of chiral nanoparticles can be applied to other nanoscale chiral systems and can provide further insight into the chiral discrimination processes of nanomaterials.

  17. Calorimetry for Fast Authentication of Edible Oils

    NASA Astrophysics Data System (ADS)

    Angiuli, Marco; Bussolino, Gian Carlo; Ferrari, Carlo; Matteoli, Enrico; Righetti, Maria Cristina; Salvetti, Giuseppe; Tombari, Elpidio

    2009-06-01

    There are little data in the literature on how to authenticate edible oils through calorimetry techniques. However, oil melting curves can be used to represent correlations between calorimetric results and oil quality. A calorimetric method has been developed for studying the solid-liquid phase transitions of olive oil and seed oils, in which melting peak behavior is correlated to the type, quality, and composition of the oil. Good reproducible thermograms were obtained by defining precise protocols for use in testing, which take into account the specific characteristics of a particular oil. This approach does not replace classical analytical methods; nevertheless, it is believed that calorimetric tests could be a useful preliminary stage for quality testing. The calorimetric technique allows the detection of the adulterant (seed oils or refined olive oil), oil origin, and possible photo-oxidation degradation processes, before more complex and expensive procedures and analyses are applied.

  18. Cu/Nb-Ti MRI wires with improved stability by incorporating filaments of large heat capacity substance PrB6

    NASA Astrophysics Data System (ADS)

    Keilin, V. E.; Kovalev, I. A.; Kruglov, S. L.; Sсherbakov, V. I.; Shutova, D. I.; Vorobjeva, A. E.; Salunin, N. I.; Potanina, L. V.

    2015-03-01

    In this paper we report our recent research on thermal stabilization of low-temperature superconducting magnets by means of large heat capacity substances (LHCS). Two samples (lengths ˜100 m) of NbTi composite wires with additional internal filaments made from intermetallic compound PrB6 (5.9-7.3 vol.%) were produced and tested. The design of the wires was similar to that of the conventional MRI sc wires, except for their smaller diameter (0.835 mm instead of 1.345 mm). Our final goal was the investigation of the possibility to minimize (or even eliminate completely) the necessity of MRI magnets training before their commissioning. The comparative stability measurements showed a twofold increase of the minimum quench energies (MQEs) of the doped wires against short heat disturbances. The magnetic field corresponding to the first flux jump increased by 50%. In MQE tests, the PrB6 heat capacity was fully utilized over the course of a 1 ms heat pulse. In the thermomagnetic stability measurements, the efficiency of LHCS doping was about 75% due to the fast evolution of the flux jumps.

  19. Heat capacity of the site-diluted spin dimer system Ba₃(Mn1-xVx)₂O₈

    SciTech Connect

    Samulon, E. C.; Shapiro, M. C.; Fisher, I. R.

    2011-08-05

    Heat-capacity and susceptibility measurements have been performed on the diluted spin dimer compound Ba₃(Mn1-xVx)₂O₈. The parent compound Ba₃Mn₂O₈ is a spin dimer system based on pairs of antiferromagnetically coupled S=1, 3d² Mn⁵⁺ ions such that the zero-field ground state is a product of singlets. Substitution of nonmagnetic S=0, 3d⁰ V⁵⁺ ions leads to an interacting network of unpaired Mn moments, the low-temperature properties of which are explored in the limit of small concentrations 0≤x≤0.05. The zero-field heat capacity of this diluted system reveals a progressive removal of magnetic entropy over an extended range of temperatures, with no evidence for a phase transition. The concentration dependence does not conform to expectations for a spin-glass state. Rather, the data suggest a low-temperature random singlet phase, reflecting the hierarchy of exchange energies found in this system.

  20. Temperature-dependent determination of electron heat capacity and electron-phonon coupling factor for Fe0.72Cr0.18Ni0.1

    NASA Astrophysics Data System (ADS)

    Winter, Jan; Sotrop, Jürgen; Borek, Stephan; Huber, Heinz P.; Minár, Jan

    2016-04-01

    A theoretical approach using ab initio calculations was applied to study the interaction of an ultrashort laser pulse with the metal alloy Fe0.72Cr0.18Ni0.1 (AISI 304). The electronic structure was simulated by taking into account the chemical and magnetic disorder of the alloy by the coherent potential approximation implemented in a fully relativistic Korringa-Kohn-Rostoker formalism in the framework of spin density functional theory. A self-consistent calculation of the electronic structure using the Matsubara technique in the paramagnetic state of Fe0.72Cr0.18Ni0.1 for finite temperatures was applied. Utilizing these predictions we determined the electron heat capacity and the electron-phonon coupling factor of Fe0.72Cr0.18Ni0.1 in dependence on the electron temperature for two-temperature model applications. Compared with pure Fe a maximum deviation of 5% for the electron heat capacity and 25% for the electron-phonon coupling factor was found.

  1. Omnidirectional Measurements of Angle-Resolved Heat Capacity for Complete Detection of Superconducting Gap Structure in the Heavy-Fermion Antiferromagnet UPd_{2}Al_{3}.

    PubMed

    Shimizu, Yusei; Kittaka, Shunichiro; Sakakibara, Toshiro; Tsutsumi, Yasumasa; Nomoto, Takuya; Ikeda, Hiroaki; Machida, Kazushige; Homma, Yoshiya; Aoki, Dai

    2016-07-15

    Quasiparticle excitations in UPd_{2}Al_{3} were studied by means of heat-capacity (C) measurements under rotating magnetic fields using a high-quality single crystal. The field dependence shows C(H)∝H^{1/2}-like behavior at low temperatures for both two hexagonal crystal axes, i.e., H∥[0001] (c axis) and H∥[112[over ¯]0] (a axis), suggesting the presence of nodal quasiparticle excitations from heavy bands. At low temperatures, the polar-angle (θ) dependence of C exhibits a maximum along H∥[0001] with a twofold symmetric oscillation below 0.5 T, and an unusual shoulder or hump anomaly has been found around 30°-60° from the c axis in C(θ) at intermediate fields (1≲μ_{0}H≲2  T). These behaviors in UPd_{2}Al_{3} purely come from the superconducting nodal quasiparticle excitations, and can be successfully reproduced by theoretical calculations assuming the gap symmetry with a horizontal linear line node. We demonstrate the whole angle-resolved heat-capacity measurements done here as a novel spectroscopic method for nodal gap determination, which can be applied to other exotic superconductors. PMID:27472129

  2. Application of laser polarimetry to the measurement of the specific heat capacity of molybdenum in the range 2000 to 2800 K by a pulse-heating technique

    SciTech Connect

    Cezairliyan, A.; Basak, D.; McClure, J.L.; Krishnan, S.

    1998-07-01

    Measurement of the specific heat capacity of molybdenum (standard reference material) in the temperature range 2000 to 2800 K is described. The method is based on rapid resistive self-heating of a solid cylindrical specimen from room temperature to the maximum temperature of interest by the passage of a sub-second-duration electrical current pulse through the specimen with simultaneous measurement of the pertinent experimental quantities. The experimental quantities yield: the current through the specimen, voltage drop across the specimen, and specimen temperature. The objective of this study is to demonstrate the feasibility of performing accurate thermophysical measurements where the specimen`s true temperature is determined from measurements of surface radiance temperature with a pyrometer and normal spectral emissivity with a laser polarimeter. This approach of measuring true temperature eliminates the need of having a blackbody configuration for the specimen. In addition to the specific heat capacity, the normal spectral emissivity (at 633 nm) and electrical resistivity of molybdenum in the temperature range from 2000 to 2800 K are presented.

  3. Non-adiabatic perturbations in multi-component perfect fluids

    SciTech Connect

    Koshelev, N.A.

    2011-04-01

    The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.

  4. Adiabatic quantum simulation of quantum chemistry.

    PubMed

    Babbush, Ryan; Love, Peter J; Aspuru-Guzik, Alán

    2014-10-13

    We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions.

  5. Quantum adiabatic evolution with energy degeneracy levels

    NASA Astrophysics Data System (ADS)

    Zhang, Qi

    2016-01-01

    A classical-kind phase-space formalism is developed to address the tiny intrinsic dynamical deviation from what is predicted by Wilczek-Zee theorem during quantum adiabatic evolution on degeneracy levels. In this formalism, the Hilbert space and the aggregate of degenerate eigenstates become the classical-kind phase space and a high-dimensional subspace in the phase space, respectively. Compared with the previous analogous study by a different method, the current result is qualitatively different in that the first-order deviation derived here is always perpendicular to the degeneracy subspace. A tripod-scheme Hamiltonian with two degenerate dark states is employed to illustrate the adiabatic deviation with degeneracy levels.

  6. Adiabatic quantum optimization for associative memory recall

    SciTech Connect

    Seddiqi, Hadayat; Humble, Travis S.

    2014-12-22

    Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.

  7. Adiabatic quantum optimization for associative memory recall

    DOE PAGES

    Seddiqi, Hadayat; Humble, Travis S.

    2014-12-22

    Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are storedmore » in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.« less

  8. Trapped Ion Quantum Computation by Adiabatic Passage

    SciTech Connect

    Feng Xuni; Wu Chunfeng; Lai, C. H.; Oh, C. H.

    2008-11-07

    We propose a new universal quantum computation scheme for trapped ions in thermal motion via the technique of adiabatic passage, which incorporates the advantages of both the adiabatic passage and the model of trapped ions in thermal motion. Our scheme is immune from the decoherence due to spontaneous emission from excited states as the system in our scheme evolves along a dark state. In our scheme the vibrational degrees of freedom are not required to be cooled to their ground states because they are only virtually excited. It is shown that the fidelity of the resultant gate operation is still high even when the magnitude of the effective Rabi frequency moderately deviates from the desired value.

  9. Ramsey numbers and adiabatic quantum computing.

    PubMed

    Gaitan, Frank; Clark, Lane

    2012-01-01

    The graph-theoretic Ramsey numbers are notoriously difficult to calculate. In fact, for the two-color Ramsey numbers R(m,n) with m, n≥3, only nine are currently known. We present a quantum algorithm for the computation of the Ramsey numbers R(m,n). We show how the computation of R(m,n) can be mapped to a combinatorial optimization problem whose solution can be found using adiabatic quantum evolution. We numerically simulate this adiabatic quantum algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(2,s) for 5≤s≤7. We then discuss the algorithm's experimental implementation, and close by showing that Ramsey number computation belongs to the quantum complexity class quantum Merlin Arthur.

  10. Adiabatic Heating of Contracting Turbulent Fluids

    NASA Astrophysics Data System (ADS)

    Robertson, Brant; Goldreich, Peter

    2012-05-01

    Turbulence influences the behavior of many astrophysical systems, frequently by providing non-thermal pressure support through random bulk motions. Although turbulence is commonly studied in systems with constant volume and mean density, turbulent astrophysical gases often expand or contract under the influence of pressure or gravity. Here, we examine the behavior of turbulence in contracting volumes using idealized models of compressed gases. Employing numerical simulations and an analytical model, we identify a simple mechanism by which the turbulent motions of contracting gases "adiabatically heat," experiencing an increase in their random bulk velocities until the largest eddies in the gas circulate over a Hubble time of the contraction. Adiabatic heating provides a mechanism for sustaining turbulence in gases where no large-scale driving exists. We describe this mechanism in detail and discuss some potential applications to turbulence in astrophysical settings.

  11. ADIABATIC HEATING OF CONTRACTING TURBULENT FLUIDS

    SciTech Connect

    Robertson, Brant; Goldreich, Peter

    2012-05-10

    Turbulence influences the behavior of many astrophysical systems, frequently by providing non-thermal pressure support through random bulk motions. Although turbulence is commonly studied in systems with constant volume and mean density, turbulent astrophysical gases often expand or contract under the influence of pressure or gravity. Here, we examine the behavior of turbulence in contracting volumes using idealized models of compressed gases. Employing numerical simulations and an analytical model, we identify a simple mechanism by which the turbulent motions of contracting gases 'adiabatically heat', experiencing an increase in their random bulk velocities until the largest eddies in the gas circulate over a Hubble time of the contraction. Adiabatic heating provides a mechanism for sustaining turbulence in gases where no large-scale driving exists. We describe this mechanism in detail and discuss some potential applications to turbulence in astrophysical settings.

  12. Adiabatic Quantum Simulation of Quantum Chemistry

    NASA Astrophysics Data System (ADS)

    Babbush, Ryan; Love, Peter J.; Aspuru-Guzik, Alán

    2014-10-01

    We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions.

  13. Shortcuts to adiabaticity from linear response theory

    SciTech Connect

    Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian

    2015-10-23

    A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. Moreover, with the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. We finally propose a degenerate family of protocols, which facilitates shortcuts to adiabaticity for specific and very short driving times.

  14. Shortcuts to adiabaticity from linear response theory

    DOE PAGES

    Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian

    2015-10-23

    A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. Moreover, with the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. We finally propose a degenerate family of protocols, which facilitates shortcuts tomore » adiabaticity for specific and very short driving times.« less

  15. Siphon flows in isolated magnetic flux tubes. II - Adiabatic flows

    NASA Technical Reports Server (NTRS)

    Montesinos, Benjamin; Thomas, John H.

    1989-01-01

    This paper extends the study of steady siphon flows in isolated magnetic flux tubes surrounded by field-free gas to the case of adiabatic flows. The basic equations governing steady adiabatic siphon flows in a thin, isolated magnetic flux tube are summarized, and qualitative features of adiabatic flows in elevated, arched flux tubes are discussed. The equations are then cast in nondimensional form and the results of numerical computations of adiabatic siphon flows in arched flux tubes are presented along with comparisons between isothermal and adiabatic flows. The effects of making the interior of the flux tube hotter or colder than the surrounding atmosphere at the upstream footpoint of the arch is considered. In this case, is it found that the adiabatic flows are qualitatively similar to the isothermal flows, with adiabatic cooling producing quantitative differences. Critical flows can produce a bulge point in the rising part of the arch and a concentration of magnetic flux above the bulge point.

  16. Siphon flows in isolated magnetic flux tubes. II. Adiabatic flows

    SciTech Connect

    Montesinos, B.; Thomas, J.H.

    1989-02-01

    This paper extends the study of steady siphon flows in isolated magnetic flux tubes surrounded by field-free gas to the case of adiabatic flows. The basic equations governing steady adiabatic siphon flows in a thin, isolated magnetic flux tube are summarized, and qualitative features of adiabatic flows in elevated, arched flux tubes are discussed. The equations are then cast in nondimensional form and the results of numerical computations of adiabatic siphon flows in arched flux tubes are presented along with comparisons between isothermal and adiabatic flows. The effects of making the interior of the flux tube hotter or colder than the surrounding atmosphere at the upstream footpoint of the arch is considered. In this case, is it found that the adiabatic flows are qualitatively similar to the isothermal flows, with adiabatic cooling producing quantitative differences. Critical flows can produce a bulge point in the rising part of the arch and a concentration of magnetic flux above the bulge point. 15 references.

  17. Differential Scanning Calorimetry Techniques: Applications in Biology and Nanoscience

    PubMed Central

    Gill, Pooria; Moghadam, Tahereh Tohidi; Ranjbar, Bijan

    2010-01-01

    This paper reviews the best-known differential scanning calorimetries (DSCs), such as conventional DSC, microelectromechanical systems-DSC, infrared-heated DSC, modulated-temperature DSC, gas flow-modulated DSC, parallel-nano DSC, pressure perturbation calorimetry, self-reference DSC, and high-performance DSC. Also, we describe here the most extensive applications of DSC in biology and nanoscience. PMID:21119929

  18. Characterization of binding interactions by isothermal titration calorimetry.

    PubMed

    Doyle

    1997-02-01

    Isothermal titration calorimetry is a high-accuracy method for measuring binding affinities. Titration calorimetry is a universal method that has broad impact throughout biotechnology. In recent years, microcalorimeters that are capable of characterizing binding interactions of biological macromolecules have become commercially available. Results from these studies are providing new insight into the molecular nature of macromolecular interactions.

  19. Computer Code For Turbocompounded Adiabatic Diesel Engine

    NASA Technical Reports Server (NTRS)

    Assanis, D. N.; Heywood, J. B.

    1988-01-01

    Computer simulation developed to study advantages of increased exhaust enthalpy in adiabatic turbocompounded diesel engine. Subsytems of conceptual engine include compressor, reciprocator, turbocharger turbine, compounded turbine, ducting, and heat exchangers. Focus of simulation of total system is to define transfers of mass and energy, including release and transfer of heat and transfer of work in each subsystem, and relationship among subsystems. Written in FORTRAN IV.

  20. Adiabatic charging of nickel-hydrogen batteries

    NASA Astrophysics Data System (ADS)

    Lurie, Chuck; Foroozan, S.; Brewer, Jeff; Jackson, Lorna

    1995-02-01

    Battery management during prelaunch activities has always required special attention and careful planning. The transition from nickel-cadium to nickel-hydrogen batteries, with their high self discharge rate and lower charge efficiency, as well as longer prelaunch scenarios, has made this aspect of spacecraft battery management even more challenging. The AXAF-I Program requires high battery state of charge at launch. The use of active cooling, to ensure efficient charging, was considered and proved to be difficult and expensive. Alternative approaches were evaluated. Optimized charging, in the absence of cooling, appeared promising and was investigated. Initial testing was conducted to demonstrate the feasibility of the 'Adiabatic Charging' approach. Feasibility was demonstrated and additional testing performed to provide a quantitative, parametric data base. The assumption that the battery is in an adiabatic environment during prelaunch charging is a conservative approximation because the battery will transfer some heat to its surroundings by convective air cooling. The amount is small compared to the heat dissipated during battery overcharge. Because the battery has a large thermal mass, substantial overcharge can occur before the cells get too hot to charge efficiently. The testing presented here simulates a true adiabatic environment. Accordingly the data base may be slightly conservative. The adiabatic charge methodology used in this investigation begins with stabilizing the cell at a given starting temperature. The cell is then fully insulated on all sides. Battery temperature is carefully monitored and the charge terminated when the cell temperature reaches 85 F. Charging has been evaluated with starting temperatures from 55 to 75 F.

  1. Advanced Adiabatic Demagnetization Refrigerators for Continuous Cooling

    NASA Technical Reports Server (NTRS)

    Chu, Paul C. W.

    2004-01-01

    The research at Houston was focused on optimizing the design of superconducting magnets for advanced adiabatic demagnetization refrigerators (ADRs), assessing the feasibility of using high temperature superconducting (HTS) magnets in ADRs in the future, and developing techniques to deposit HTS thin and thick films on high strength, low thermal conductivity substrates for HTS magnet leads. Several approaches have been tested for the suggested superconducting magnets.

  2. Random matrix model of adiabatic quantum computing

    SciTech Connect

    Mitchell, David R.; Adami, Christoph; Lue, Waynn; Williams, Colin P.

    2005-05-15

    We present an analysis of the quantum adiabatic algorithm for solving hard instances of 3-SAT (an NP-complete problem) in terms of random matrix theory (RMT). We determine the global regularity of the spectral fluctuations of the instantaneous Hamiltonians encountered during the interpolation between the starting Hamiltonians and the ones whose ground states encode the solutions to the computational problems of interest. At each interpolation point, we quantify the degree of regularity of the average spectral distribution via its Brody parameter, a measure that distinguishes regular (i.e., Poissonian) from chaotic (i.e., Wigner-type) distributions of normalized nearest-neighbor spacings. We find that for hard problem instances - i.e., those having a critical ratio of clauses to variables - the spectral fluctuations typically become irregular across a contiguous region of the interpolation parameter, while the spectrum is regular for easy instances. Within the hard region, RMT may be applied to obtain a mathematical model of the probability of avoided level crossings and concomitant failure rate of the adiabatic algorithm due to nonadiabatic Landau-Zener-type transitions. Our model predicts that if the interpolation is performed at a uniform rate, the average failure rate of the quantum adiabatic algorithm, when averaged over hard problem instances, scales exponentially with increasing problem size.

  3. Non-adiabatic dark fluid cosmology

    SciTech Connect

    Hipólito-Ricaldi, W.S.; Velten, H.E.S.; Zimdahl, W. E-mail: velten@cce.ufes.br

    2009-06-01

    We model the dark sector of the cosmic substratum by a viscous fluid with an equation of state p = −ζΘ, where Θ is the fluid-expansion scalar and ζ is the coefficient of bulk viscosity for which we assume a dependence ζ∝ρ{sup ν} on the energy density ρ. The homogeneous and isotropic background dynamics coincides with that of a generalized Chaplygin gas with equation of state p = −A/ρ{sup α}. The perturbation dynamics of the viscous model, however, is intrinsically non-adiabatic and qualitatively different from the Chaplygin-gas case. In particular, it avoids short-scale instabilities and/or oscillations which apparently have ruled out unified models of the Chaplygin-gas type. We calculate the matter power spectrum and demonstrate that the non-adiabatic model is compatible with the data from the 2dFGRS and the SDSS surveys. A χ{sup 2}-analysis shows, that for certain parameter combinations the viscous-dark-fluid (VDF) model is well competitive with the ΛCDM model. These results indicate that non-adiabatic unified models can be seen as potential contenders for a General-Relativity-based description of the cosmic substratum.

  4. Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

    PubMed Central

    2011-01-01

    The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a molecular mechanics force field could not describe both organic liquids and biomolecules with a single parameter set. Here, we devise a benchmark for force fields in order to test the ability of existing force fields to reproduce some key properties of organic liquids, namely, the density, enthalpy of vaporization, the surface tension, the heat capacity at constant volume and pressure, the isothermal compressibility, the volumetric expansion coefficient, and the static dielectric constant. Well over 1200 experimental measurements were used for comparison to the simulations of 146 organic liquids. Novel polynomial interpolations of the dielectric constant (32 molecules), heat capacity at constant pressure (three molecules), and the isothermal compressibility (53 molecules) as a function of the temperature have been made, based on experimental data, in order to be able to compare simulation results to them. To compute the heat capacities, we applied the two phase thermodynamics method (Lin et al. J. Chem. Phys.2003, 119, 11792), which allows one to compute thermodynamic properties on the basis of the density of states as derived from the velocity autocorrelation function. The method is implemented in a new utility within the GROMACS molecular simulation package, named g_dos, and a detailed exposé of the underlying equations is presented. The purpose of this work is to establish the state of the art of two popular force fields, OPLS/AA (all-atom optimized potential for liquid simulation) and GAFF (generalized Amber force field), to find common bottlenecks, i.e., particularly difficult molecules, and to serve as a reference point for future force field development. To make for a fair playing field, all molecules were evaluated with the same parameter settings, such as thermostats and barostats

  5. Assessing Coupled Protein Folding and Binding Through Temperature-Dependent Isothermal Titration Calorimetry.

    PubMed

    Sahu, Debashish; Bastidas, Monique; Lawrence, Chad W; Noid, William G; Showalter, Scott A

    2016-01-01

    Broad interest in the thermodynamic driving forces of coupled macromolecular folding and binding is motivated by the prevalence of disorder-to-order transitions observed when intrinsically disordered proteins (IDPs) bind to their partners. Isothermal titration calorimetry (ITC) is one of the few methods available for completely evaluating the thermodynamic parameters describing a protein-ligand binding event. Significantly, when the effective ΔH° for the coupled folding and binding process is determined by ITC in a temperature series, the constant-pressure heat capacity change (ΔCp) associated with these coupled equilibria is experimentally accessible, offering a unique opportunity to investigate the driving forces behind them. Notably, each of these molecular-scale events is often accompanied by strongly temperature-dependent enthalpy changes, even over the narrow temperature range experimentally accessible for biomolecules, making single temperature determinations of ΔH° less informative than typically assumed. Here, we will document the procedures we have adopted in our laboratory for designing, executing, and globally analyzing temperature-dependent ITC studies of coupled folding and binding in IDP interactions. As a biologically significant example, our recent evaluation of temperature-dependent interactions between the disordered tail of FCP1 and the winged-helix domain from Rap74 will be presented. Emphasis will be placed on the use of publically available analysis programs written in MATLAB that facilitate quantification of the thermodynamic forces governing IDP interactions. Although motivated from the perspective of IDPs, the experimental design principles and data fitting procedures presented here are general to the study of most noncooperative ligand binding equilibria.

  6. Assessing Coupled Protein Folding and Binding Through Temperature-Dependent Isothermal Titration Calorimetry.

    PubMed

    Sahu, Debashish; Bastidas, Monique; Lawrence, Chad W; Noid, William G; Showalter, Scott A

    2016-01-01

    Broad interest in the thermodynamic driving forces of coupled macromolecular folding and binding is motivated by the prevalence of disorder-to-order transitions observed when intrinsically disordered proteins (IDPs) bind to their partners. Isothermal titration calorimetry (ITC) is one of the few methods available for completely evaluating the thermodynamic parameters describing a protein-ligand binding event. Significantly, when the effective ΔH° for the coupled folding and binding process is determined by ITC in a temperature series, the constant-pressure heat capacity change (ΔCp) associated with these coupled equilibria is experimentally accessible, offering a unique opportunity to investigate the driving forces behind them. Notably, each of these molecular-scale events is often accompanied by strongly temperature-dependent enthalpy changes, even over the narrow temperature range experimentally accessible for biomolecules, making single temperature determinations of ΔH° less informative than typically assumed. Here, we will document the procedures we have adopted in our laboratory for designing, executing, and globally analyzing temperature-dependent ITC studies of coupled folding and binding in IDP interactions. As a biologically significant example, our recent evaluation of temperature-dependent interactions between the disordered tail of FCP1 and the winged-helix domain from Rap74 will be presented. Emphasis will be placed on the use of publically available analysis programs written in MATLAB that facilitate quantification of the thermodynamic forces governing IDP interactions. Although motivated from the perspective of IDPs, the experimental design principles and data fitting procedures presented here are general to the study of most noncooperative ligand binding equilibria. PMID:26794349

  7. Differential scanning calorimetry study of glass transition in frozen starch gels.

    PubMed

    Tananuwong, Kanitha; Reid, David S

    2004-06-30

    The effects of initial water content, maximum heating temperature, amylopectin crystallinity type, and annealing on the glass transition of starch gels were studied by differential scanning calorimetry (DSC). The glass transition temperatures of the frozen gels measured as the onset (T(g,onset)) or midpoint temperature (T(g,midpoint)), heat capacity change during the glass transition (deltaC(p)), unfrozen water of starch gels, and additional unfrozen water (AUW) arising from gelatinization were reported. The results show that T(g,onset) and T(g,midpoint) of the partially gelatinized gels are independent of the initial water content, while both of the T(g) values of the fully gelatinized gel increase as the initial water content increases. These observations might result from the difference in the level of structural disruption associated with different heating conditions, resulting in different gel structures as well as different concentrations of the sub-T(g) unfrozen matrix. The amylopectin crystallinity type does not greatly affect T(g,onset) and T(g,midpoint) of the gels. Annealing at a temperature near T(g,onset) increases both T(g,onset) and T(g,midpoint) of the gels, possibly due to an increase in the extent of the freeze concentration as evidenced by a decrease in AUW. Annealing results in an increase in the deltaC(p) value of the gels, presumably due to structural relaxation. A devitrification exotherm may be related to AUW. The annealing process decreases AUW, thus also decreasing the size of the exotherm.

  8. The Phase Structures of Nylon 6.6 as Studied by Temperature-modulated Calorimetry and Their Link to X-ray Structure and Molecular Motion.

    SciTech Connect

    Qui, Wulin; Habenschuss, Anton {Tony}; Wunderlich, Bernhard {nmn}

    2007-01-01

    The phase behavior of semicrystalline, dry nylon 6.6 is analyzed on the basis of differential scanning calorimetry, DSC, and quasi-isothermal, temperature-modulated DSC, TMDSC. The data were collected over the temperature range from below the glass transitions to above the isotropization. Based on the contributions of the vibrational motion to the heat capacity, as is available from the ATHAS Data Bank, and the multifaceted new calorimetry, as well as on information on X-ray diffraction, molecular dynamics simulation of paraffin crystals, and quasielastic neutron scattering, the following observations are made: (a) beginning at the glass transition temperature of the mobile-amorphous phase (Tg= 323 K), a broadened transition of the semicrystalline sample is observed which reaches to 342 K (Tg = 332.7 K). An additional rigid-amorphous phase, RAF, undergoes its separate, broad glass transition immediately thereafter (340-400 K, Tg {approx} 370 K). (b) The transition of the RAF, in turn, overlaps with increasing large-amplitude motion of the CH2 groups within the crystals and latent heat effects due to melting, recrystallization, and crystal annealing. (c) From 390 to 480 K the heat capacity of the crystals increasingly exceeds that of the melt due to additional entropy (disordering) contributions. Above 440 K, close to the Brill temperature, the heat capacity seems to drop to the level of the melt. (d) If observation (c) is confirmed, some locally reversible melting is present on the crystal surfaces. (e) The increasing large-amplitude motion is described as a glass transition of the crystals, occurring below the melting point, at 409 K. The assumption of a separate glass transition in the ordered phase was previously successful in analyzing aliphatic poly(oxide)s and mesophases. The full description of the globally metastable, semicrystalline phase structure of nylons, thus, needs information on the glass transitions of the two amorphous phases and the ordered phase

  9. Current status of tritium calorimetry at TLK

    SciTech Connect

    Buekki-Deme, A.; Alecu, C.G.; Kloppe, B.; Bornschein, B.

    2015-03-15

    Inside a tritium facility, calorimetry is an important analytical method as it is the only reference method for accountancy (it is based on the measurement of the heat generated by the radioactive decay). Presently, at Tritium Laboratory Karlsruhe (TLK), 4 calorimeters are in operation, one of isothermal type and three of inertial guidance control type (IGC). The volume of the calorimeters varies between 0.5 and 20.6 liters. About two years ago we started an extensive work to improve our calorimeters with regard to reliability and precision. We were forced to upgrade 3 of our 4 calorimeters due to the outdated interfaces and software. This work involved creating new LabView programs driving the devices, re-tuning control loops and replacing obsolete hardware components. In this paper we give a review on the current performance of our calorimeters, comparing it to recently available devices from the market and in the literature. We also show some ideas for a next generation calorimeter based on experiences with our IGC calorimeters and other devices reported in the literature. (authors)

  10. Differential scanning calorimetry of plant cell walls

    SciTech Connect

    Lin, Liangshiou; Varner, J.E. ); Yuen, H.K. )

    1991-03-15

    High-sensitivity differential scanning calorimetry has been used to study the phase transition of cell wall preparations of the elongating and mature regions of soybean hypocotyls and of celery epidermis and collenchyma strands. A step-like transition believed to be glass transition was observed in walls isolated from the elongating region of soybean hypocotyls at 52.9C. Addition of 1 mM CaCl{sub 2} to the cell wall preparation increased the transition temperature to 60.8C and greatly reduced the transition magnitude. In walls from the mature region, the transition was small and occurred at a higher temperature (60.1C). Addition of calcium to the mature region cell wall had little effect on the transition. Based on the known interactions between calcium and pectin, the authors propose that calcium affects the glass transition by binding to the polygalacturonate backbone of wall pectin, resulting in a more rigid wall with a smaller transition at a higher temperature. The mature region either has more calcium in the wall or has more methyl-esterified pectin, making it less responsive to added calcium.

  11. Immersion Calorimetry: Molecular Packing Effects in Micropores.

    PubMed

    Madani, S Hadi; Silvestre-Albero, Ana; Biggs, Mark J; Rodríguez-Reinoso, Francisco; Pendleton, Phillip

    2015-12-21

    Repeated and controlled immersion calorimetry experiments were performed to determine the specific surface area and pore-size distribution (PSD) of a well-characterized, microporous poly(furfuryl alcohol)-based activated carbon. The PSD derived from nitrogen gas adsorption indicated a narrow distribution centered at 0.57±0.05 nm. Immersion into liquids of increasing molecular sizes ranging from 0.33 nm (dichloromethane) to 0.70 nm (α-pinene) showed a decreasing enthalpy of immersion at a critical probe size (0.43-0.48 nm), followed by an increase at 0.48-0.56 nm, and a second decrease at 0.56-0.60 nm. This maximum has not been reported previously. After consideration of possible reasons for this new observation, it is concluded that the effect arises from molecular packing inside the micropores, interpreted in terms of 2D packing. The immersion enthalpy PSD was consistent with that from quenched solid density functional theory (QSDFT) analysis of the nitrogen adsorption isotherm.

  12. Immersion Calorimetry: Molecular Packing Effects in Micropores.

    PubMed

    Madani, S Hadi; Silvestre-Albero, Ana; Biggs, Mark J; Rodríguez-Reinoso, Francisco; Pendleton, Phillip

    2015-12-21

    Repeated and controlled immersion calorimetry experiments were performed to determine the specific surface area and pore-size distribution (PSD) of a well-characterized, microporous poly(furfuryl alcohol)-based activated carbon. The PSD derived from nitrogen gas adsorption indicated a narrow distribution centered at 0.57±0.05 nm. Immersion into liquids of increasing molecular sizes ranging from 0.33 nm (dichloromethane) to 0.70 nm (α-pinene) showed a decreasing enthalpy of immersion at a critical probe size (0.43-0.48 nm), followed by an increase at 0.48-0.56 nm, and a second decrease at 0.56-0.60 nm. This maximum has not been reported previously. After consideration of possible reasons for this new observation, it is concluded that the effect arises from molecular packing inside the micropores, interpreted in terms of 2D packing. The immersion enthalpy PSD was consistent with that from quenched solid density functional theory (QSDFT) analysis of the nitrogen adsorption isotherm. PMID:26394883

  13. Non-adiabatic effects in near-adiabatic mixed-field orientation and alignment

    NASA Astrophysics Data System (ADS)

    Maan, Anjali; Ahlawat, Dharamvir Singh; Prasad, Vinod

    2016-11-01

    We present a theoretical study of the impact of a pair of moderate electric fields tilted an angle with respect to one another on a molecule. As a prototype, we consider a molecule with large rotational constant (with corresponding small rotational period) and moderate dipole moment. Within rigid-rotor approximation, the time-dependent Schrodinger equation is solved using fourth-order Runge-Kutta method. We have analysed that lower rotational states are significantly influenced by variation in pulse durations, the tilt angle between the fields and also on the electric field strengths. We also suggest a control scheme of how the rotational dynamics, orientation and alignment of a molecule can be enhanced by a combination of near-adiabatic pulses in comparision to non-adiabatic or adiabatic pulses.

  14. Measurements of heat capacity associated with the magnetic transition in La_0.7A_0.3MnO3 (A = Ca, Sr, Ba)

    NASA Astrophysics Data System (ADS)

    Jeong, Yoon Hee; Moon, I. K.; Ju, H. L.

    2001-03-01

    It is well known that the transition temperature of the paramagnetic insulator-magnetic metal transition in the perovskite manganites La_1-xA_xMnO3 (x = 0.3, A = divalent metal) depends sensitively on the average size of A-site cations. In order to elucidate the physical reason for this behavior, we have carried out high-resolution measurements of heat capacity of samples with A = Ca, Sr, Ba. By critically comparing these results as well as magnetization measurements, we were able to draw a conclusion: as the average size of the A-site cation gets smaller than a certain value, the two-phase coexistence sets in and the transition temperature abruptly decreases.

  15. A solar-thermal energy harvesting scheme: enhanced heat capacity of molten HITEC salt mixed with Sn/SiO(x) core-shell nanoparticles.

    PubMed

    Lai, Chih-Chung; Chang, Wen-Chih; Hu, Wen-Liang; Wang, Zhiming M; Lu, Ming-Chang; Chueh, Yu-Lun

    2014-05-01

    We demonstrated enhanced solar-thermal storage by releasing the latent heat of Sn/SiO(x) core-shell nanoparticles (NPs) embedded in a eutectic salt. The microstructures and chemical compositions of Sn/SiO(x) core-shell NPs were characterized. In situ heating XRD provides dynamic crystalline information about the Sn/SiO(x) core-shell NPs during cyclic heating processes. The latent heat of ∼29 J g(-1) for Sn/SiO(x) core-shell NPs was measured, and 30% enhanced heat capacity was achieved from 1.57 to 2.03 J g(-1) K(-1) for the HITEC solar salt without and with, respectively, a mixture of 5% Sn/SiO(x) core-shell NPs. In addition, an endurance cycle test was performed to prove a stable operation in practical applications. The approach provides a method to enhance energy storage in solar-thermal power plants.

  16. Verification of ab-initio mixing enthalpy using thermodynamic simulation of phase equilibrium and the temperature dependences of the heat capacity of the bcc Fe- Cr alloys

    NASA Astrophysics Data System (ADS)

    Udovsky, A. L.; Vasilyev, D. A.

    2016-04-01

    The paper deals with application of physical-empirical models for the thermodynamic description of the bcc Fe-Cr alloys and phase equilibrium, as well as prediction of behavior of the temperature dependences of the specific heat of alloys. This approach allowed performing verification of ab-initio calculations results obtained by different authors for the mixing enthalpy at 0K which were used to assess the chemical part of the mixing enthalpy. Analysis of calculated phase diagram fragments and the temperature dependences of heat capacities for two alloy compositions and their comparison with experimental data, has allowed us to estimate the degree of reliability of various approximations used in ab-initio calculations, and thereby realize their verification for further practical use.

  17. Heat capacities, magnetic properties, and resistivities of ternary RPdBi alloys where R = La, Nd, Gd, Dy, Er, and Lu

    SciTech Connect

    Riedemann, T.M.

    1996-05-01

    Over the past four and a half decades research on the rare earths, their compounds, and their alloys has yielded significant insights into the nature of materials. The rare earths can be used to systematically study a series of alloys or compounds. Magnetic ordering, crystalline fields, spin fluctuations, the magnetocaloric effect, and magnetostriction are a small sample of phenomena studied that are exhibited by the rare earth family. A significant portion of research has been conducted on the abundant RM{sub 2} and RM phases, where R is the rare earth and M is a transition metal. The natural progression of science has led to the study of related RMX ternary phases, where X is either another transition metal or semimetal. There are now over 1,000 known RMX phases. The focus of this study is on RPdBi where R = La, Nd, Gd, Dy, Er, and Lu. Their heat capacities, magnetic properties, and resistivities are studied.

  18. Bond selective chemistry beyond the adiabatic approximation

    SciTech Connect

    Butler, L.J.

    1993-12-01

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  19. Shortcut to adiabaticity in spinor condensates

    NASA Astrophysics Data System (ADS)

    Sala, Arnau; Núñez, David López; Martorell, Joan; De Sarlo, Luigi; Zibold, Tilman; Gerbier, Fabrice; Polls, Artur; Juliá-Díaz, Bruno

    2016-10-01

    We devise a method to shortcut the adiabatic evolution of a spin-1 Bose gas with an external magnetic field as the control parameter. An initial many-body state with almost all bosons populating the Zeeman sublevel m =0 is evolved to a final state very close to a macroscopic spin-singlet condensate, a fragmented state with three macroscopically occupied Zeeman states. The shortcut protocol, obtained by an approximate mapping to a harmonic oscillator Hamiltonian, is compared to linear and exponential variations of the control parameter. We find a dramatic speedup of the dynamics when using the shortcut protocol.

  20. On adiabatic perturbations in the ekpyrotic scenario

    SciTech Connect

    Linde, A.; Mukhanov, V.; Vikman, A. E-mail: Viatcheslav.Mukhanov@physik.uni-muenchen.de

    2010-02-01

    In a recent paper, Khoury and Steinhardt proposed a way to generate adiabatic cosmological perturbations with a nearly flat spectrum in a contracting Universe. To produce these perturbations they used a regime in which the equation of state exponentially rapidly changed during a short time interval. Leaving aside the singularity problem and the difficult question about the possibility to transmit these perturbations from a contracting Universe to the expanding phase, we will show that the methods used in Khoury are inapplicable for the description of the cosmological evolution and of the process of generation of perturbations in this scenario.

  1. Generalized Ramsey numbers through adiabatic quantum optimization

    NASA Astrophysics Data System (ADS)

    Ranjbar, Mani; Macready, William G.; Clark, Lane; Gaitan, Frank

    2016-09-01

    Ramsey theory is an active research area in combinatorics whose central theme is the emergence of order in large disordered structures, with Ramsey numbers marking the threshold at which this order first appears. For generalized Ramsey numbers r( G, H), the emergent order is characterized by graphs G and H. In this paper we: (i) present a quantum algorithm for computing generalized Ramsey numbers by reformulating the computation as a combinatorial optimization problem which is solved using adiabatic quantum optimization; and (ii) determine the Ramsey numbers r({{T}}m,{{T}}n) for trees of order m,n = 6,7,8, most of which were previously unknown.

  2. Cavity-state preparation using adiabatic transfer

    NASA Astrophysics Data System (ADS)

    Larson, Jonas; Andersson, Erika

    2005-05-01

    We show how to prepare a variety of cavity field states for multiple cavities. The state preparation technique used is related to the method of stimulated adiabatic Raman passage. The cavity modes are coupled by atoms, making it possible to transfer an arbitrary cavity field state from one cavity to another and also to prepare nontrivial cavity field states. In particular, we show how to prepare entangled states of two or more cavities, such as an Einstein-Podolsky-Rosen state and a W state, as well as various entangled superpositions of coherent states in different cavities, including Schrödinger cat states. The theoretical considerations are supported by numerical simulations.

  3. Phase avalanches in near-adiabatic evolutions

    SciTech Connect

    Vertesi, T.; Englman, R.

    2006-02-15

    In the course of slow, nearly adiabatic motion of a system, relative changes in the slowness can cause abrupt and high magnitude phase changes, ''phase avalanches,'' superimposed on the ordinary geometric phases. The generality of this effect is examined for arbitrary Hamiltonians and multicomponent (>2) wave packets and is found to be connected (through the Blaschke term in the theory of analytic signals) to amplitude zeros in the lower half of the complex time plane. Motion on a nonmaximal circle on the Poincare-sphere suppresses the effect. A spectroscopic transition experiment can independently verify the phase-avalanche magnitudes.

  4. Local entanglement generation in the adiabatic regime

    SciTech Connect

    Cliche, M.; Veitia, Andrzej

    2010-09-15

    We study entanglement generation in a pair of qubits interacting with an initially correlated system. Using time-independent perturbation theory and the adiabatic theorem, we show conditions under which the qubits become entangled as the joint system evolves into the ground state of the interacting theory. We then apply these results to the case of qubits interacting with a scalar quantum field. We study three different variations of this setup; a quantum field subject to Dirichlet boundary conditions, a quantum field interacting with a classical potential, and a quantum field that starts in a thermal state.

  5. An adiabatic demagnetization refrigerator for infrared bolometers

    NASA Technical Reports Server (NTRS)

    Britt, R. D.; Richards, P. L.

    1981-01-01

    Adiabatic demagnetization refrigerators have been built and installed in small portable liquid helium cryostats to test the feasibility of this method of cooling infrared bolometric detectors to temperatures below 0.3 K. Performance has been achieved which suggests that bolometer temperatures of 0.2 K can be maintained for periods of approximately 60 hours. Applications to sensitive infrared detection from ground-based telescopes and space satellites are discussed. Design data are given which permit the evaluation of refrigerator performance for a variety of design parameters.

  6. Determination of Purity by Differential Scanning Calorimetry (DSC).

    ERIC Educational Resources Information Center

    Brown, M. E.

    1979-01-01

    An exercise is presented which demonstrates the determination of sample purity by differential scanning calorimetry. Data and references are provided to enable the exercise to be carried out as a dry-lab experiment. (BB)

  7. Thermochemistry of uranium compounds: XVI, Calorimetric determination of the standard molar enthalpy of formation at 298.15 K, low-temperature heat capacity, and high-temperature enthalpy increments of UO{sub 2}(OH){sub 2} {center_dot} H{sub 2}O (schoepite)

    SciTech Connect

    Tasker, I.R.; O`Hare, P.A.G.; Lewis, B.M.; Johnson, G.K.; Cordfunke, E.H.P.

    1987-08-01

    Three precise calorimetric methods, viz., low-temperature adiabatic, high-temperatuare drop, and solution-reaction, have been used to determine as a function of temperature the key chemical thermodynamic properties of a pure sample of schoepite, UO{sub 2}(OH){sub 2} {center_dot} H{sub 2}O. The following results have been obtained at the standard reference temperature T = 298.15 K:standard molar enthalpy of formation {Delta}/sub f/H/sub m/{sup 0}(T) = {minus}1825.4 +- 2.1 kJ mol/sup {minus}1/; molar heat capacity C/sub p,m/{sup 0}(T) = 172.07 +- 0.34 JK/sup {minus}1/; and the standard molar entropy S/sub m/{sup 0}(T) = 188.54 +- 0.38 JK/sup {minus}1/ mol/sup {minus}1/. The molar enthalpy increments relative to 298.15 K and the molar heat capacity are given by the polynomials: {H{sub m}{sup 0}(T) {minus} H{sub m}{sup 0}(298.15 K)}/(J mol/sup {minus}1/) = {minus}38209.0 + 84.2375 (T/K) + 0.1472958 (T/K){sup 2} and C/sub p,m/{sup 0}(T)/(JK/sup {minus}1/ mol/sup {minus}1/) = 84.238 + 0.294592 (T/K), where 298.15 K < T < 400 K. The present result for {Delta}/sup f/H/sub m/{sup 0} at 298.15 K has been combined with three other closely-agreeing values from the literature to give a recommended weighted mean {Delta}/sub f/H/sub m/{sup 0} = {minus}1826.4 +- 1.7 kJ mol/sup {minus}1/, from which is calculated the standard Gibbs energy of formation {Delta}/sub f/G/sub m/{sup 0} = {minus}1637.0 +- 1.7 kJ mol/sup {minus}1/ at 298.15 K. Complete thermodynamic properties of schoepite are tabulated from 298.15 to 423.15 K. 19 refs., 6 tabs.

  8. Phase transitions and unusual behavior of heat capacity in metal organic framework compound Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6}

    SciTech Connect

    Paukov, I.E.; Samsonenko, D.G.; Pischur, D.P.; Kozlova, S.G.; Gabuda, S.P.

    2014-12-15

    Thermodynamic properties of high-porous metal-organic framework (MOF) compound Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6} were studied in the temperature range 8.9–300 K using low-temperature adiabatic calorymetry and DSC methods. Phase transitions were observed at ∼15, ∼60, and ∼135 K. It is shown that specific heat of the compound obeys the classical Debye law C{sub p}∼T{sup 3} only below 15 K, whereas above 15 K it is proportional to the first degree of temperature, C{sub p}∼T, to indicate a strong anisotropy of crystal vibrations corresponding to 1D continuum. It is shown that the strong anisotropy can be related to coordination interaction of Zn{sup 2+} and N{sub 2}(CH{sub 2}){sub 6} ligands in the specific structure of compound Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6}. - Graphical abstract: Specific heat C{sub p} is proportional to the first degree of temperature showing a strong anisotropy of crystal vibrations corresponding to 1D continuum in Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6.} - Highlights: • Specific heat capacity of Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}·N{sub 2}(CH{sub 2}){sub 6} was first studied at 8.9–300 K. • Phase transitions were observed at ∼15, ∼60, and ∼135 K. • The heat capacity is proportional to the first degree of temperature above 15 K. • The discovered dependency corresponds to a one-dimensional vibration continuum.

  9. Adiabatic cooling of solar wind electrons

    NASA Technical Reports Server (NTRS)

    Sandbaek, Ornulf; Leer, Egil

    1992-01-01

    In thermally driven winds emanating from regions in the solar corona with base electron densities of n0 not less than 10 exp 8/cu cm, a substantial fraction of the heat conductive flux from the base is transfered into flow energy by the pressure gradient force. The adiabatic cooling of the electrons causes the electron temperature profile to fall off more rapidly than in heat conduction dominated flows. Alfven waves of solar origin, accelerating the basically thermally driven solar wind, lead to an increased mass flux and enhanced adiabatic cooling. The reduction in electron temperature may be significant also in the subsonic region of the flow and lead to a moderate increase of solar wind mass flux with increasing Alfven wave amplitude. In the solar wind model presented here the Alfven wave energy flux per unit mass is larger than that in models where the temperature in the subsonic flow is not reduced by the wave, and consequently the asymptotic flow speed is higher.

  10. Quantum Adiabatic Algorithms and Large Spin Tunnelling

    NASA Technical Reports Server (NTRS)

    Boulatov, A.; Smelyanskiy, V. N.

    2003-01-01

    We provide a theoretical study of the quantum adiabatic evolution algorithm with different evolution paths proposed in this paper. The algorithm is applied to a random binary optimization problem (a version of the 3-Satisfiability problem) where the n-bit cost function is symmetric with respect to the permutation of individual bits. The evolution paths are produced, using the generic control Hamiltonians H (r) that preserve the bit symmetry of the underlying optimization problem. In the case where the ground state of H(0) coincides with the totally-symmetric state of an n-qubit system the algorithm dynamics is completely described in terms of the motion of a spin-n/2. We show that different control Hamiltonians can be parameterized by a set of independent parameters that are expansion coefficients of H (r) in a certain universal set of operators. Only one of these operators can be responsible for avoiding the tunnelling in the spin-n/2 system during the quantum adiabatic algorithm. We show that it is possible to select a coefficient for this operator that guarantees a polynomial complexity of the algorithm for all problem instances. We show that a successful evolution path of the algorithm always corresponds to the trajectory of a classical spin-n/2 and provide a complete characterization of such paths.

  11. Effect of the Heat Pipe Adiabatic Region.

    PubMed

    Brahim, Taoufik; Jemni, Abdelmajid

    2014-04-01

    The main motivation of conducting this work is to present a rigorous analysis and investigation of the potential effect of the heat pipe adiabatic region on the flow and heat transfer performance of a heat pipe under varying evaporator and condenser conditions. A two-dimensional steady-state model for a cylindrical heat pipe coupling, for both regions, is presented, where the flow of the fluid in the porous structure is described by Darcy-Brinkman-Forchheimer model which accounts for the boundary and inertial effects. The model is solved numerically by using the finite volumes method, and a fortran code was developed to solve the system of equations obtained. The results show that a phase change can occur in the adiabatic region due to temperature gradient created in the porous structure as the heat input increases and the heat pipe boundary conditions change. A recirculation zone may be created at the condenser end section. The effect of the heat transfer rate on the vapor radial velocities and the performance of the heat pipe are discussed. PMID:24895467

  12. Adiabat Shaping of ICF Capsules Using Ramped Pressure Profiles

    NASA Astrophysics Data System (ADS)

    Anderson, K.; Betti, R.; Collins, T. J. B.; Marinak, M. M.; Haan, S. W.

    2002-11-01

    Target design of direct-drive ICF capsules has historically involved a compromise between high 1-D (clean) yield and capsule stability. Low-adiabat fuel is desirable to achieve high compression and, hence, high yield. A higher adiabat at the ablation front reduces the growth rate of the Raleigh--Taylor instability due to higher ablation velocity. An optimal target design will take advantage of both by shaping the adiabat of the capsule to allow for high adiabat in the material that is to be ablated and low adiabat in the remaining fuel. We present here a method of adiabat shaping using a low-intensity prepulse followed by laser shutoff before beginning the main drive pulse. This creates a decaying shock with a ramped pressure profile behind it. Since the prepulse is low intensity, the adiabat is not strongly affected by the prepulse. The main shock is then launched up this ramped pressure profile to set the adiabat. Because the main shock sees an increasing pressure profile, the effective strength of the shock decreases as it propagates through the shell, thus creating a smooth adiabat profile from high outer-shell adiabat to low inner-shell adiabat. Results of simulations using 1-D LILAC and 2-D DRACO (LLE), as well as 1-D and 2-D HYDRA (LLNL), are presented. This work was supported by the U.S. DOE Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC03-92SF19460 and by the University of California LLNL under contract No. W-7405-Eng-48.

  13. Electronically- and crystal-structure-driven magnetic structures and physical properties of RScSb (R = rare earth) compounds. A neutron diffraction, magnetization and heat capacity study

    SciTech Connect

    Ritter, C; Dhar, S K; Kulkarni, R; Provino, A; Paudyal, Durga; Manfrinetti, Pietro; Gschneidner, Karl A

    2014-08-14

    The synthesis of the new equiatomic RScSb ( R = La-Nd, Sm, Gd-Tm, Lu, Y) compounds has been recently reported. These rare earth compounds crystallize in two different crystal structures, adopting the CeScSi-type ( I 4/ mmm) for the lighter R (La-Nd, Sm) and the CeFeSi-type (P4 /nmm) structure for the heavier R ( R = Gd-Tm, Lu, Y). Here we report the results of neutron diffraction, magnetization and heat capacity measurements on some of these compounds ( R = Ce, Pr, Nd, Gd and Tb). Band structure calculations have also been performed on CeScSb and GdScGe (CeScSi-type), and on GdScSb and TbScSb (CeFeSi-type) to compare and understand the exchange interactions in CeScSi and CeFeSi structure types. The neutron diffraction investigation shows that all five compounds order magnetically, with the highest transition temperature of 66 K in TbScSb and the lowest of about 9 K in CeScSb. The magnetic ground state is simple ferromagnetic (τ = [0 0 0]) in CeScSb, as well in NdScSb for 32 >T > 22 K. Below 22 K a second magnetic transition, with propagation vector τ = [¼ ¼ 0], appears in NdScSb. PrScSb has a magnetic structure within, determined by mostly ferromagnetic interactions and antiferromagnetic alignment of the Pr-sites connected through the I-centering ( τ = [1 0 0]). A cycloidal spiral structure with a temperature dependent propagation vector τ = [δ δ ½] is found in TbScSb. The results of magnetization and heat capacity lend support to the main conclusions derived from neutron diffraction. As inferred from a sharp peak in magnetization, GdScSb orders antiferromagnetically at 56 K. First principles calculations show lateral shift of spin split bands towards lower energy from the Fermi level as the CeScSi-type structure changes to the CeFeSi-type structure. This rigid shift may force the system to transform from exchange split ferromagnetic state to the antiferromagnetic state in RScSb compounds (as seen for example in GdScSb and TbScSb) and is proposed to

  14. A solar-thermal energy harvesting scheme: enhanced heat capacity of molten HITEC salt mixed with Sn/SiOx core-shell nanoparticles

    NASA Astrophysics Data System (ADS)

    Lai, Chih-Chung; Chang, Wen-Chih; Hu, Wen-Liang; Wang, Zhiming M.; Lu, Ming-Chang; Chueh, Yu-Lun

    2014-04-01

    We demonstrated enhanced solar-thermal storage by releasing the latent heat of Sn/SiOx core-shell nanoparticles (NPs) embedded in a eutectic salt. The microstructures and chemical compositions of Sn/SiOx core-shell NPs were characterized. In situ heating XRD provides dynamic crystalline information about the Sn/SiOx core-shell NPs during cyclic heating processes. The latent heat of ~29 J g-1 for Sn/SiOx core-shell NPs was measured, and 30% enhanced heat capacity was achieved from 1.57 to 2.03 J g-1 K-1 for the HITEC solar salt without and with, respectively, a mixture of 5% Sn/SiOx core-shell NPs. In addition, an endurance cycle test was performed to prove a stable operation in practical applications. The approach provides a method to enhance energy storage in solar-thermal power plants.We demonstrated enhanced solar-thermal storage by releasing the latent heat of Sn/SiOx core-shell nanoparticles (NPs) embedded in a eutectic salt. The microstructures and chemical compositions of Sn/SiOx core-shell NPs were characterized. In situ heating XRD provides dynamic crystalline information about the Sn/SiOx core-shell NPs during cyclic heating processes. The latent heat of ~29 J g-1 for Sn/SiOx core-shell NPs was measured, and 30% enhanced heat capacity was achieved from 1.57 to 2.03 J g-1 K-1 for the HITEC solar salt without and with, respectively, a mixture of 5% Sn/SiOx core-shell NPs. In addition, an endurance cycle test was performed to prove a stable operation in practical applications. The approach provides a method to enhance energy storage in solar-thermal power plants. Electronic supplementary information (ESI) available: Detailed experimental results are included for the following: SEM images of the HITEC molten salt with and without a mixture of Sn/SiOx core-shell NPs; statistical diameter distribution of pure Sn and Sn/SiOx core-shell NPs; the HAADF image and EDS linescan profile of a Sn/SiOx core-shell NP; XRD analysis for Sn NPs annealing at different heating

  15. The Adiabatic Invariance of the Action Variable in Classical Dynamics

    ERIC Educational Resources Information Center

    Wells, Clive G.; Siklos, Stephen T. C.

    2007-01-01

    We consider one-dimensional classical time-dependent Hamiltonian systems with quasi-periodic orbits. It is well known that such systems possess an adiabatic invariant which coincides with the action variable of the Hamiltonian formalism. We present a new proof of the adiabatic invariance of this quantity and illustrate our arguments by means of…

  16. Generation of atomic NOON states via shortcuts to adiabatic passage

    NASA Astrophysics Data System (ADS)

    Song, Chong; Su, Shi-Lei; Bai, Cheng-Hua; Ji, Xin; Zhang, Shou

    2016-10-01

    Based on Lewis-Riesenfeld invariants and quantum Zeno dynamics, we propose an effective scheme for generating atomic NOON states via shortcuts to adiabatic passage. The photon losses are efficiently suppressed by engineering shortcuts to adiabatic passage in the scheme. The numerical simulation shows that the atomic NOON states can be generated with high fidelity.

  17. Kinetic Theory Derivation of the Adiabatic Law for Ideal Gases.

    ERIC Educational Resources Information Center

    Sobel, Michael I.

    1980-01-01

    Discusses how the adiabatic law for ideal gases can be derived from the assumption of a Maxwell-Boltzmann (or any other) distribution of velocities--in contrast to the usual derivations from thermodynamics alone, and the higher-order effect that leads to one-body viscosity. An elementary derivation of the adiabatic law is given. (Author/DS)

  18. Adiabat-shaping in indirect drive inertial confinement fusion

    SciTech Connect

    Baker, K. L.; Robey, H. F.; Milovich, J. L.; Jones, O. S.; Smalyuk, V. A.; Casey, D. T.; MacPhee, A. G.; Pak, A.; Celliers, P. M.; Clark, D. S.; Landen, O. L.; Peterson, J. L.; Berzak-Hopkins, L. F.; Weber, C. R.; Haan, S. W.; Döppner, T. D.; Dixit, S.; Hamza, A. V.; Jancaitis, K. S.; Kroll, J. J.; and others

    2015-05-15

    Adiabat-shaping techniques were investigated in indirect drive inertial confinement fusion experiments on the National Ignition Facility as a means to improve implosion stability, while still maintaining a low adiabat in the fuel. Adiabat-shaping was accomplished in these indirect drive experiments by altering the ratio of the picket and trough energies in the laser pulse shape, thus driving a decaying first shock in the ablator. This decaying first shock is designed to place the ablation front on a high adiabat while keeping the fuel on a low adiabat. These experiments were conducted using the keyhole experimental platform for both three and four shock laser pulses. This platform enabled direct measurement of the shock velocities driven in the glow-discharge polymer capsule and in the liquid deuterium, the surrogate fuel for a DT ignition target. The measured shock velocities and radiation drive histories are compared to previous three and four shock laser pulses. This comparison indicates that in the case of adiabat shaping the ablation front initially drives a high shock velocity, and therefore, a high shock pressure and adiabat. The shock then decays as it travels through the ablator to pressures similar to the original low-adiabat pulses when it reaches the fuel. This approach takes advantage of initial high ablation velocity, which favors stability, and high-compression, which favors high stagnation pressures.

  19. Analysis of the heat capacity for pure CH4 and CH4/CCl4 on graphite near the melting point and calculation of the T-X phase diagram for (CH3)CCl3 + CCl4

    NASA Astrophysics Data System (ADS)

    Yurtseven, Hamit; Yılmaz, Aygül

    2016-06-01

    We study the temperature dependence of the heat capacity Cp for the pure CH4 and the coadsorbed CH4/CCl4 on graphite near the melting point. The heat capacity peaks are analyzed using the experimental data from the literature by means of the power-law formula. The critical exponents for the heat capacity are deduced below and above the melting point for CH4 (Tm = 104.8 K) and CH4/CCl4 (Tm = 99.2 K). Our exponent values are larger as compared with the predicted values of some theoretical models exhibiting second order transition. Our analyses indicate that the pure methane shows a nearly second order (weak discontinuity in the heat capacity peak), whereas the transition in coadsorbed CH4/CCl4 is of first order (apparent discontinuity in Cp). We also study the T – X phase diagram of a two-component system of CH3CCl3+CCl4 using the Landau phenomenological model. Phase lines of the R+L (rhombohedral+liquid) and FCC+L (face-centred cubic + liquid) are calculated using the observed T – X phase diagram of this binary mixture. Our results show that the Landau mean field theory describes the observed behavior of CH3CCl3+CCl4 adequately. From the calculated T – X phase diagram, critical behavior of some thermodynamic quantities can be predicted at various temperatures and concentrations (CCl4) for a binary mixture of CH3CCl3+CCl4.

  20. Analysis of the heat capacity for pure CH4 and CH4/CCl4 on graphite near the melting point and calculation of the T-X phase diagram for (CH3)CCl3 + CCl4

    NASA Astrophysics Data System (ADS)

    Yurtseven, Hamit; Yılmaz, Aygül

    2016-06-01

    We study the temperature dependence of the heat capacity Cp for the pure CH4 and the coadsorbed CH4/CCl4 on graphite near the melting point. The heat capacity peaks are analyzed using the experimental data from the literature by means of the power-law formula. The critical exponents for the heat capacity are deduced below and above the melting point for CH4 (Tm = 104.8 K) and CH4/CCl4 (Tm = 99.2 K). Our exponent values are larger as compared with the predicted values of some theoretical models exhibiting second order transition. Our analyses indicate that the pure methane shows a nearly second order (weak discontinuity in the heat capacity peak), whereas the transition in coadsorbed CH4/CCl4 is of first order (apparent discontinuity in Cp). We also study the T - X phase diagram of a two-component system of CH3CCl3+CCl4 using the Landau phenomenological model. Phase lines of the R+L (rhombohedral+liquid) and FCC+L (face-centred cubic + liquid) are calculated using the observed T - X phase diagram of this binary mixture. Our results show that the Landau mean field theory describes the observed behavior of CH3CCl3+CCl4 adequately. From the calculated T - X phase diagram, critical behavior of some thermodynamic quantities can be predicted at various temperatures and concentrations (CCl4) for a binary mixture of CH3CCl3+CCl4.