Thermodynamic Vortex-Lattice Phase Transitions in Bi_2Sr_2CaCu_2O_8

NASA Astrophysics Data System (ADS)

Majer, Daniel

1996-03-01

Recent measurements by the microscopic Hall-sensor arrays technique of the anomalous second magnetization peak and the magnetization step at the first-order transition in Bi_2Sr_2CaCu_2O8 (BSCCO)(B. Khaykovich, E. Zeldov, D. Majer, T.W. Li, P.H. Kes, and M. Konczykowski, (preprint).) have revealed new evidence, which suggest that these two phenomena are of related origin. The first-order transition(E. Zeldov, D. Majer, M. Konczykowski, V.B. Geshkenbein, V.M. Vinokur, and H. Shtrikman, Nature 375), 373 (1995). at higher temperatures ends at a critical point and it seems that a second-order transition (the fish-tail) continues to lower temperatures. Local magnetization measurements were carried out on several as-grown BSCCO crystals (T_c~= 90 K) and on two crystals annealed in air at 500^circC (over-doped with T_c~= 83.5 K) and at 800^circC (optimally-doped, T_c~= 89 K). The annealing was used to change the oxygen stoichiometry of the crystals and as a consequence their anisotropy. All as-grown crystals from two sources show practically identical phase diagrams. The first-order phase transition lines in the B-T phase diagram of the annealed crystals however, are shifted significantly. In the over-doped crystal the line is shifted to higher fields, and the optimally-doped crystal to lower fields as compared to the as-grown crystals. Theoretical predictions of both the melting and the decoupling transitions in HTSC are anisotropy dependent, and the observed shifts can not be used to distinguish between these theories. However, the temperature dependence of the transition line in the decoupling scenario fits the observed data much better than the melting scenario. The first-order transition step vanishes in all three types of crystals at a critical point which is anisotropy dependent. At lower temperatures the second magnetization peak is observed. The second peak line in the B-T phase diagram of all the crystals measured starts very close to the critical point and is shifted by the same extent as the corresponding first-order transition line. The two lines seem to form one continuous phase transition line that changes from first-order to presumably second-order at the critical point. In collaboration with B. Khaykovich, T.W. Li, P.H. Kes, M. Konczykowski, and E. Zeldov.

Effects of radiation on crack-initiation and crack-arrest toughness for SA508 Cl. 3 steel

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

Milella, P.P.; Pini, A.; Iskander, S.K.

1995-11-01

An investigation was carried out to determine the effects of neutron irradiation, conducted in several different test-reactors at approximately 280 C, on the mechanical properties of an SA508 Class 3 carbon steel ring forging produced in Italy as a prototype of a pressurized water reactor vessel. The research had two primary objectives: (1) to investigate the effect of a various levels of neutron irradiation (fluences from 1 to 5.5 10{sup 19} n/cm{sup 2} [E>1 MeV]) on the strength, initiation and arrest toughness and ductile-to-brittle transition temperature, and (2) to determine if Charpy data and empirical prediction equations provide conservative estimatesmore » of irradiation effects on the K{sub Ic} and K{sub Ia} transition curves. The paper reports results from tension, Charpy V-notch (CVN) fracture toughness, and crack-arrest tests performed on both unirradiated and irradiated material. It was found that both Charpy V-notch transition temperature shifts and two prediction equations provided conservative estimates of shifts in fracture initiation and fracture arrest transition temperatures for the steel investigated. The 54 C shift of the Charpy V-notch transition curves at a fluence level of 5.5 10{sup 19} n/cm{sup 2} suggests the possibility of extending the component life beyond the common 40 year design life.« less

Temperature dependence of 2DEG and excitonic optical transitions in AlGaN/GaN heterostructures on SiC

NASA Astrophysics Data System (ADS)

Litton, C. W.; Reynolds, D. C.; Hoelscher, J. E.; Collins, T. C.; Fitch, R.; Via, G. D.; Gillespie, J.; Crespo, A.; Jenkins, T. J.; Worley, R.; Saxler, A.

2005-05-01

Four (4) unique optical transitions are reported in both the emission and reflection spectra of high-quality AlGaN/GaN heterostructures. Study of the shifts of spectral peak energies and their intensity variations with temperature, reveal that these transitions arise from Free Exciton recombination and transitions between the A- and B-valence bands and the excited states of the 2-dimensional electron gas (2DEG) at the heterointerface.

A new method to detect significant basal body temperature changes during a woman's menstrual cycle.

PubMed

Freundl, Günter; Frank-Herrmann, Petra; Brown, Simon; Blackwell, Leonard

2014-10-01

To compare the results of a computer programme based on the Trigg's tracking system (TTS) identification of the basal body temperature (BBT) shift day from daily records of BBT values (TTS transition day), with the BBT shift day identified from the same records using the Sensiplan(®) symptothermal method of natural family planning. A computer programme was written to display the daily BBT readings for 364 menstrual cycles from 51 women aged 24 to 35 years, obtained from the German Natural Family Planning (NFP) database. The TTS transition day so identified from each record was then compared with the BBT shift day estimated from the same record by the Sensiplan(®) method. Total agreement between the methods was obtained for 81% (294/364) of the cycles and 18% (67) cycles differed by ± 1 day. For the 364 pairs of values distributed among 51 women the medians of the differences between the TTS transition day and Sensiplan(®) initial day of the BBT rise (shift day) were not significantly different (χ(2) = 65.28, df = 50, p = 0.07205). The advantages of the tracking signal algorithm are that in many cases it was possible to identify the BBT shift day on that very day - rather than only some days later - and to estimate the probability that a transition had occurred from the different values of the tracking signal.

Comparison of irradiation-induced shifts of K{sub Jc} and Charpy impact toughness for reactor pressure vessel steels

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

Sokolov, M.A.; Nanstad, R.K.

1999-10-01

The current provisions for determination of the upward temperature shift of the lower-bound static fracture toughness curve due to irradiation of reactor pressure vessel steels are based on the assumption that they are the same as the Charpy 41-J shifts as a consequence of irradiation. The objective of this paper is to evaluate this assumption relative to data reported in open publications. Depending on the specific source, different sizes of fracture toughness specimens, procedures of the K{sub Jc} determination, and fitting functions were used. It was anticipated that the scatter might be reduced by using a consistent approach to analyzemore » the published data. A method employing Weibull statistics is applied to analyze original fracture toughness data of unirradiated and irradiated pressure vessel steels. Application of the master curve concept is used to determine shifts of fracture toughness transition curves. A hyperbolic tangent function is used to fit charpy absorbed energy data. The fracture toughness shifts are compared to Charpy impact shifts evaluated with various criteria. Linear regression analysis showed that for weld metals, on average, the fracture toughness shift is the same as the Charpy 41-J temperature shift, while for base metals, on average, the fracture toughness shift at 41 J is 16% greater than the shift of the Charpy 41-J transition temperature, with both correlations having relatively large 95% confidence intervals.« less

Oxygen Isotopes in Fresh Water Biogenic Opal: Northeastern US Alleroed-Younger Dryas Temperature Shift

NASA Technical Reports Server (NTRS)

Shemesh, Aldo; Peteet, Dorothy

1997-01-01

The first oxygen isotope analysis of biogenic opal from lake sediments, from the Allerod/Younger Dryas transition in a core from Linsley Pond, Connecticut, gives an average estimate of a 6 C drop in temperature during the Younger Dryas. This shift represents temperatures during the bloom season, and may be less than the winter temperature drop. The sharp transition itself, with a duration of about 200 years, suggests that the temperature decrease may have been as large as 12 C. Previous estimates of the Allerod/Younger Dryas temperature shifts are controversial, and range from 3-20 C, suggesting that further interdisciplinary research on the same samples is warranted. One way that global climate change manifests itself is by redistributing energy throughout the globe. The Northern Hemisphere latitudinal temperature gradient during the late-glacial is at present a controversial topic. The magnitude of air temperature shifts during the Allerod/Younger Dryas (YD) oscillation are estimated from mid-latitude pollen records surrounding the North Atlantic to be 3-5 C in Europe [Lowe et al., 19941 and 3-4 C in the eastern US [Peteet et al., 1993]. In contrast, lake temperatures estimates derived from aquatic midge larvae in the Canadian eastern maritimes and Maine range from 6-20 C, with larger shifts at more southern sites [Levesque et al., 1997]. The magnitude of YD cooling in Greenland ice cores ranges from at least 7 C from the Bolling warming [Dansgaard et al., 1989] to 15 C - a more recent estimate from borehole temperatures [Cuffey et al., 1995]. The ice core geochemical records reveal that massive frequent and short-term (decadal or less) changes in atmospheric composition occurred throughout this event, suggesting a very dynamic circulation [Mayewski et al., 1993).

Impact Tests of Welded Joints

DTIC Science & Technology

1936-04-01

indicate that good welds by these two last named processes give excellent impact results. Welds subjected to extremely low or high temperature merit...variation with temperature of the ratio of shear to tensile stress developed in the Izod or Charpy test, falls from a high to an exceedingly low value...and Larsen also showed that high nitrogen or oxygen content shifted the "zone of transition" to higher temperatures , and that normalizing shifted the

Low-temperature breakdown of antiferromagnetic quantum critical behavior in FeSe

NASA Astrophysics Data System (ADS)

Grinenko, V.; Sarkar, R.; Materne, P.; Kamusella, S.; Yamamshita, A.; Takano, Y.; Sun, Y.; Tamegai, T.; Efremov, D. V.; Drechsler, S.-L.; Orain, J.-C.; Goko, T.; Scheuermann, R.; Luetkens, H.; Klauss, H.-H.

2018-05-01

A nematic transition preceding a long-range spin density wave antiferromagnetic phase is a common feature of many parent compounds of Fe-based superconductors. However, in the FeSe system with a nematic transition at Ts≈90 K, no evidence for long-range static magnetism is found down to very low temperatures. The lack of magnetism is a challenge for the theoretical description of FeSe. We investigated high-quality single crystals of FeSe using high-field (up to 9.5 T) muon spin rotation (μ SR ) measurements. The μ SR Knight shift and the bulk susceptibility linearly scale at high temperatures but deviate from this behavior around T*˜10 -20 K, where the Knight shift exhibits a kink. In the temperature range Ts≳T ≳T* , the muon spin depolarization rate shows a quantum critical behavior Λ ∝T-0.4 . The observed critical scaling indicates that FeSe is in the vicinity of an itinerant antiferromagnetic quantum critical point. Below T* the quantum critical behavior breaks down. We argue that this breakdown is caused by a temperature-induced Lifschitz transition.

The study of glass transition temperature in Sb-V2O5-TeO2 glasses at different heating rates

NASA Astrophysics Data System (ADS)

Souri, Dariush

2015-12-01

The glass transition of xSb-(60 - x)V2O5-40TeO2 glasses with 0 < x <15 (in mol%) at different heating rates ( φ = 3-12 K/min) has been studied using differential scanning calorimetry. The glass transition temperature ( T g) and crystallization temperature ( T cr) of these glasses have been determined. The effects of the heating rate and the Sb content on T g have been discussed. It has been observed that the transition region shifts to higher temperatures when the measuring time is reduced. The compositional dependence of T g has been determined and so an empirical equation has been deduced relating the glass transition temperature with the Sb concentration. Also, the value of glass-forming tendency has been studied for the present glasses.

Evaluation of fracture toughness master curve shifts for JMTR irradiated F82H using small specimens

NASA Astrophysics Data System (ADS)

Yamamoto, T.; Odette, G. R.; Gragg, D.; Kurishita, H.; Matsui, H.; Yang, W. J.; Narui, M.; Yamazaki, M.

2007-08-01

Small to ultra-small 1/3 size pre-cracked Charpy and 1.65 × 1.65 × 9 mm deformation and fracture minibeam (DFMB) specimens of the F82H IEA heat were irradiated to 0.02 and 0.12 dpa at 290 °C in the Japanese Materials Test Reactor. Nominal cleavage transition temperature shifts, based on the measured toughness, KJm( T), data (Δ Tm) as well as reference temperature shifts (Δ T0) found after size-adjusting the KJm( T) data yielded Δ Tm/0 ≈ 27 ± 10 and 44 ± 10 at the two doses, respectively. Using measured yield stress changes (Δ σy), the C0 = Δ T0/Δ σy = 0.58 ± 0.14 at 0.12 dpa, is in good agreement with data in the literature. The dynamic transition temperature shift, Δ Td, derived from DFMB tests, was ≈30 ± 20 °C at 0.1 dpa, also in good agreement with the estimated Δ T0 shifts. The Δ Td and Δ T0 are also in excellent agreement with a Δ T0 = C 0Δ σy (dpa, Ti) hardening-shift model, where the Δ σy (dpa, Ti) was found by fitting a large database of tensile properties.

The interactive effects of press/pulse intensity and duration on regime shifts at multiple scales

USDA-ARS?s Scientific Manuscript database

Regime shifts are difficult-to-reverse transitions that occur when an ecosystem reorganizes around a new set of self-reinforcing feedbacks. Regime shifts are predicted to occur when the intensity of some exogenous driver variable, such as temperature, annual harvest rate, or nutrient addition rate, ...

Transition temperature and fracture mode of as-castand austempered ductile iron.

PubMed

Rajnovic, D; Eric, O; Sidjanin, L

2008-12-01

The ductile to brittle transition temperature is a very important criterion that is used for selection of materials in some applications, especially in low-temperature conditions. For that reason, in this paper transition temperature of as-cast and austempered copper and copper-nickel alloyed ductile iron (DI) in the temperature interval from -196 to +150 degrees C have been investigated. The microstructures of DIs and ADIs were examined by light microscope, whereas the fractured surfaces were observed by scanning electron microscope. The ADI materials have higher impact energies compared with DIs in an as-cast condition. In addition, the transition curves for ADIs are shifted towards lower temperatures. The fracture mode of Dls is influenced by a dominantly pearlitic matrix, exhibiting mostly brittle fracture through all temperatures of testing. By contrast, with decrease of temperature, the fracture mode for ADI materials changes gradually from fully ductile to fully brittle.

On the origin of temperature dependence of the emission maxima of Eu2+and Ce3+- activated phosphors

NASA Astrophysics Data System (ADS)

Yan, Shirun

2018-05-01

In this paper, temperature dependence of the emission maxima of Eu2+ and Ce3+-activated phosphors and various explanations for the thermal red-shift or blue-shift proposed by different authors are reviewed. Depending on the host lattice, doping concentration of Eu2+ or Ce3+, or the temperature range at which the PL spectrum was monitored, both the way and magnitude of emission spectrum shifting were quite different. Various explanations for the thermal shifts of the emission maxima were proposed. Nonetheless, a close inspection of a collection of the data indicates that some popular explanations seemingly plausible for the thermal red/blue-shifts of the emission maxima of Eu2+ and Ce3+-activated phosphors are highly questionable, because they either misused the Varshni equation or discussed the energy of the 5d-4f transitions of Eu2+ and Ce3+ in isolation without considering simultaneous change of the host lattice. An explanation of lattice dynamic induced thermal shifts of the emission maxima of Eu2+ and Ce3+-activated phosphors is proposed in this paper. By considering the dominant contribution to the energy of the 5d-4f transitions either from a lattice dilatation or from the interactions between the 5d electrons and phonons, the complex temperature dependences of the emission maxima of various Eu2+ and Ce3+-activated phosphors experimentally observed in literature could be explained reasonably.

Premartensitic transition and relevant magnetic effects in Ni50Mn34In15.5Al0.5 alloy

PubMed Central

Wu, Yuqin; Guo, Shaopu; Yu, Shuyun; Cheng, Hui; Wang, Ruilong; Xiao, Haibo; Xu, Lingfang; Xiong, Rui; Liu, Yong; Xia, Zhengcai; Yang, Changping

2016-01-01

Resistance measurement, in situ optical microscopic observation, thermal and magnetic measurements have been carried out on Ni50Mn34In15.5Al0.5 alloy. The existence of a pronounced premartensitic transition prior to martensitic transition can be characterized by microstructure evolution as well as exothermic peak and smooth decrease of resistance and magnetization with obvious hysteresis over a wide temperature range upon cooling. Consequently, the alloy undergoes two successive magneto-structural transitions consisting of premartensitic and martensitic transitions. Magnetoelastic coupling between magnetic and structural degrees of freedom would be responsible for the appearance of premartensitic transition, as evinced by the distinct shift of transitions temperatures to lower temperature with external applied field of 50 kOe. The inverse premartensitic transition induced by magnetic field results in large magnetoresistance, and contributes to the enhanced inverse magnetocaloric effect through enlarging the peak value and temperature interval of magnetic entropy change ΔSm. PMID:27183331

Linear and nonlinear mechanical properties of a series of epoxy resins

NASA Technical Reports Server (NTRS)

Curliss, D. B.; Caruthers, J. M.

1987-01-01

The linear viscoelastic properties have been measured for a series of bisphenol-A-based epoxy resins cured with the diamine DDS. The linear viscoelastic master curves were constructed via time-temperature superposition of frequency dependent G-prime and G-double-prime isotherms. The G-double-prime master curves exhibited two sub-Tg transitions. Superposition of isotherms in the glass-to-rubber transition (i.e., alpha) and the beta transition at -60 C was achieved by simple horizontal shifts in the log frequency axis; however, in the region between alpha and beta, superposition could not be effected by simple horizontal shifts along the log frequency axis. The different temperature dependency of the alpha and beta relaxation mechanisms causes a complex response of G-double-prime in the so called alpha-prime region. A novel numerical procedure has been developed to extract the complete relaxation spectra and its temperature dependence from the G-prime and G-double-prime isothermal data in the alpha-prime region.

Temperature dependence of Lorentz air-broadening and pressure-shift coefficients of (12)CH4 lines in the 2.3-micron spectral region

NASA Technical Reports Server (NTRS)

Devi, V. Malathy; Benner, D. Chris; Smith, M. A. H.; Rinsland, C. P.

1994-01-01

High-resolution (0.01/cm) absorption spectra of lean mixtures of CH4 in dry air were recorded with the McMath-Pierce Fourier transform spectrometer (FTS) of the National Solar Observatory on Kitt Peak at various temperatures between 24 and -61 C. The spectra have been analyzed to determine the values at room temperature of pressure-broadened widths and pressure-induced shifts of more than 740 transitions. The temperature dependence of air-broadened widths and pressure-induced shifts was deduced for approx. 370 transitions in the nu(sub 1) + nu(sub 4), nu(sub 3) + nu(sub 4), and nu(sub 2) + nu(sub 3) bands of (12)CH4 located between 4118 and 4615/cm. These results were obtained by analyzing a total of 29 spectra simultaneously using a multi-spectral non-linear least-squares fitting technique. This new technique allowed the determination of correlated spectral line parameters (e.g. intensity and broadening coefficient) better than the procedure of averaging values obtained by fitting the spectra individually. This method also provided a direct determination of the uncertainties in the retrieved parameters due to random errors. For each band analysed in this study the dependence of the various spectral line parameters upon the tetrahedral symmetry species and the rotational quantum numbers of the transitions is also presented.

Static and dynamic protein impact on electronic properties of light-harvesting complex LH2.

PubMed

Zerlauskiene, O; Trinkunas, G; Gall, A; Robert, B; Urboniene, V; Valkunas, L

2008-12-11

A comparative analysis of the temperature dependence of the absorption spectra of the LH2 complexes from different species of photosynthetic bacteria, i.e., Rhodobacter sphaeroides, Rhodoblastus acidophilus, and Phaeospirillum molischianum, was performed in the temperature range from 4 to 300 K. Qualitatively, the temperature dependence is similar for all of the species studied. The spectral bandwidths of both B800 and B850 bands increases with temperature while the band positions shift in opposite directions: the B800 band shifts slightly to the red while the B850 band to the blue. These results were analyzed using the modified Redfield theory based on the exciton model. The main conclusion drawn from the analysis was that the spectral density function (SDF) is the main factor underlying the strength of the temperature dependence of the bandwidths for the B800 and B850 electronic transitions, while the bandwidths themselves are defined by the corresponding inhomogeneous distribution function (IDF). Slight variation of the slope of the temperature dependence of the bandwidths between species can be attributed to the changes of the values of the reorganization energies and characteristic frequencies determining the SDF. To explain the shift of the B850 band position with temperature, which is unusual for the conventional exciton model, a temperature dependence of the IDF must be postulated. This dependence can be achieved within the framework of the modified (dichotomous) exciton model. The slope of the temperature dependence of the B850 bandwidth is then defined by the value of the reorganization energy and by the difference between the transition energies of the dichotomous states of the pigment molecules. The equilibration factor between these dichotomous states mainly determines the temperature dependence of the peak shift.

Suspended sub-50 nm vanadium dioxide membrane transistors: fabrication and ionic liquid gating studies

NASA Astrophysics Data System (ADS)

Sim, Jai S.; Zhou, You; Ramanathan, Shriram

2012-10-01

We demonstrate a robust lithographic patterning method to fabricate self-supported sub-50 nm VO2 membranes that undergo a phase transition. Utilizing such self-supported membranes, we directly observed a shift in the metal-insulator transition temperature arising from stress relaxation and consistent opening of the hysteresis. Electric double layer transistors were then fabricated with the membranes and compared to thin film devices. The ionic liquid allowed reversible modulation of channel resistance and distinguishing bulk processes from the surface effects. From the shift in the metal-insulator transition temperature, the carrier density doped through electrolyte gating is estimated to be 1 × 1020 cm-3. Hydrogen annealing studies showed little difference in resistivity between the film and the membrane indicating rapid diffusion of hydrogen in the vanadium oxide rutile lattice consistent with previous observations. The ability to fabricate electrically-wired, suspended VO2 ultra-thin membranes creates new opportunities to study mesoscopic size effects on phase transitions and may also be of interest in sensor devices.

Probing structural transition and guest dynamics of hydroquinone clathrates by temperature-dependent terahertz time-domain spectroscopy.

PubMed

Lee, Eui Su; Han, Kyu Won; Yoon, Ji-Ho; Jeon, Tae-In

2011-01-13

The structural transition from hydroquinone clathrates to crystalline α-form hydroquinone was observed up to the range of 3 THz frequency as a function of temperatures. We found that all three hydroquinone clathrates, CO(2)-, CH(4)-, and CO(2)/CH(4)-loaded hydroquinone clathrates, transform into the α-form hydroquinone at around 102 ± 7 °C. The resonance peak of the CO(2)-loaded hydroquinone clathrate at 2.15 THz decreases with increasing temperature, indicating that CO(2) guest molecules are readily released from the host framework prior to the structural transformation. This reveals that the hydroquinone clathrates may transform into the stable α-form hydroquinone via the metastable form of guest-free clathrate, which depends on guest molecules enclathrated in the cages of the host frameworks. A strong resonance of the α-form hydroquinone at 1.18 THz gradually shifts to the low frequency with increasing temperature and shifts back to the high frequency with decreasing temperature.

Influence of Pressure on Physical Property of Ammonia Borane and its Re-hydrogenation

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

Chen, Jiuhua

The project systematically studied the high pressure behavior of ammonia borane and its derivative lithium amidoborane. Phase transitions in these materials are investigated in the pressure range up to 20 GPa and temperature range from 80 K to 400K. A number of new phase transitions are discovered in this pressure and temperature range including a second order transformation at 5 GPa and a first order transformation at 12 GPa at room temperature, and four new transitions at high pressure and low temperatures. The Clapeyron slopes for both pressure-induce tetragonal (I4mm) phase to orthorhombic (Cmc21) phase and temperature-induce tetragonal (I4mm) phasemore » to orthorhombic (Pmn21) phase are determined to be positive, indicating these phase transitions are exothermic. This result demonstrates that the high pressure orthorhombic phase of ammonia borane has lower enthalpy than that of tetragonal phase at ambient conditions. If we assume decomposition from the orthorhombic phase yields the same products as that from the tetragonal phase, the decomposition of the orthorhombic phase will be less exothermic. Therefore rehydrogenation from the decomposed product into the orthorhombic phase at high pressure may become easier. The project also studied the influences of nanoconfinement on the phase transitions. Comparative study using Raman spectroscopy indicates that the temperature induced I4mm to Pmn21 transition is suppressed from 217 K to 195 K when the sample is confined in SBA15 (7-9 nm pore size). When the pore size is reduced from 7-9 nm to 3-4 nm, this transition is totally suppressed in the temperature down to 80 K. A similar influence of the nanoconfiement on pressure induced phase transitions is also observed using Raman spectroscopy. The phase boundary between the I4mm phase and high pressure Cmc21 phase at ambient temperature shifts from 0.9 GPa to 0.5 GPa; and that between the Cmc21 phase and higher pressure P21 phase shifts from 10.2 GPa to 9.7 GPa.« less

Bifurcation Theory of the Transition to Collisionless Ion-temperature-gradient-driven Plasma Turbulence

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

Kolesnikov, R.A.; Krommes, J.A.

The collisionless limit of the transition to ion-temperature-gradient-driven plasma turbulence is considered with a dynamical-systems approach. The importance of systematic analysis for understanding the differences in the bifurcations and dynamics of linearly damped and undamped systems is emphasized. A model with ten degrees of freedom is studied as a concrete example. A four-dimensional center manifold (CM) is analyzed, and fixed points of its dynamics are identified and used to predict a ''Dimits shift'' of the threshold for turbulence due to the excitation of zonal flows. The exact value of that shift in terms of physical parameters is established for themore » model; the effects of higher-order truncations on the dynamics are noted. Multiple-scale analysis of the CM equations is used to discuss possible effects of modulational instability on scenarios for the transition to turbulence in both collisional and collisionless cases.« less

Effect of Bi substitution on the magnetic and magnetocaloric properties of Ni50Mn35In15-xBix Heusler alloys

NASA Astrophysics Data System (ADS)

Aryal, Anil; Quetz, Abdiel; Pandey, Sudip; Dubenko, Igor; Stadler, Shane; Ali, Naushad

2018-05-01

The structural, magnetic, magnetocaloric, and transport properties of Ni50Mn35In15-xBix (x = 0, 0.25, 0.5, 1, 1.5) compounds has been studied through X-ray diffraction (XRD), differential scanning calorimetry, and magnetization measurements. A mixture of high temperature austenite phase (AP) and low temperature martensitic phase (MP) was observed from the XRD at room temperature. The saturation magnetization MS at 10 K was found to decrease with increasing Bi content. A shift in the martensitic transition temperature (TM) relative to the parent compound was observed with a maximum shift of ˜ 36 K for x = 1.5. Abnormal shifts in TC and TM to higher temperatures were observed at high field for x ≥ 0.5. Large magnetic entropy changes (ΔSM) of about 40 J/kg K (x = 0) and 34 J/kg K (x = 0.25) were observed at TM with H = 5 T, which reduced significantly for higher Bi concentrations. The doping of small amounts of Bi in the In sites increased the peak width of the ΔSM curves at the second order transition, leading to larger values of relative cooling power. A significant magnetoresistance (-30%) was observed near TM with ΔH = 5T for x = 0.5.

Apparent critical thickness versus temperature for InAs quantum dot growth on GaAs(001)

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

Patella, F.; Arciprete, F.; Fanfoni, M.

2006-04-17

We studied the temperature dependence of the two-dimensional to three-dimensional growth transition in InAs/GaAs(001) heteroepitaxy by means of reflection high energy electron diffraction and atomic force microscopy. The observed shift of the transition to higher InAs deposition times, at temperatures above 500 deg. C, is not a change of critical thickness for islanding, which instead, is constant in the 450-560 deg. C range. Consequently, In-Ga intermixing and surface and interface strain have a negligible dependence on temperature in this range.

Temperature dependent fluorescence spectra arise from change in excited-state intramolecular proton transfer potential of 4‧-N,N-dimethylamino-3-hydroxyflavone-doped acetonitrile crystals

NASA Astrophysics Data System (ADS)

Furukawa, Kazuki; Yamamoto, Norifumi; Hino, Kazuyuki; Sekiya, Hiroshi

2016-01-01

The effect of intermolecular interaction on excited-state intramolecular proton transfer (ESIPT) in 4‧-N,N-dimethylamino-3-hydroxyflavone (DMHF) doped in acetonitrile crystals was investigated by measuring the temperature dependence of fluorescence excitation and fluorescence spectra. A solid/solid phase transition of DMHF-doped acetonitrile crystals occurred in the temperature between 210 and 218 K. Significant differences in the spectral profiles and shifts in the fluorescence spectra were observed in the low- and high-temperature regions of the phase transition. The temperature dependence of the ESIPT potential of DMHF is discussed.

Electron Reconfiguration and Enhanced Phonon Activation in the Superconducting State of a FeSe0.3Te0.7 Single Crystal, as Evidenced by Mössbauer Spectroscopy

NASA Astrophysics Data System (ADS)

Greculeasa, Simona; Miu, Lucica; Badica, Petre; Nie, Jiacai; Tolea, Mugurel; Kuncser, Victor

2015-01-01

The Mössbauer spectra of a FeSe0.3Te0.7 single crystal grown by the Bridgman method were analysed across the superconducting transition by considering the interplay between the structure and electron configuration of the transition metal. The magnetically determined superconducting critical temperature is TC ˜ 14 K. The 57Fe Mössbauer spectra collected in the temperature range from 5 to 200 K mainly have an asymmetric doublet pattern, which was conveniently fitted by the full Hamiltonian method. No effective magnetic moment ascribed to the superconducting phase was observed down to 5 K. The unusual behaviour observed below ˜17 K for the chemical isomer shift and quadrupole splitting may be associated with an electron reconfiguration process intimately related to an unusual lattice distortion accompanying the superconducting transition. The decreasing trend of the total absorption spectral area and second-order Doppler shift during cooling the sample below the critical temperature, point to enhanced phonon activation in the superconducting state.

Line Shape Parameters of Water Vapor Transitions in the 3645-3975 cm^{-1} Region

NASA Astrophysics Data System (ADS)

Devi, V. Malathy; Benner, D. Chris; Gamache, Robert R.; Vispoel, Bastien; Renaud, Candice L.; Smith, Mary Ann H.; Sams, Robert L.; Blake, Thomas A.

2017-06-01

A Bruker IFS 120HR Fourier transform spectrometer (FTS) at the Pacific Northwest National Laboratory (PNNL) in Richland, Washington was used to record a series of spectra in the regions of the ν_1 and ν_3 bands of H_2O. The samples included low pressures of pure H_2O as well as H_2O broadened by air at different pressures, temperatures and volume mixing ratios. We fit simultaneously 16 high-resolution (0.008 cm^{-1}), high S/N ratio absorption spectra recorded at 268, 296 and 353 K (L=19.95 cm), employing a multispectrum fitting technique to retrieve accurate line positions, relative intensities, Lorentz air-broadened half-width and pressure-shift coefficients and their temperature dependences for more than 220 H_2O transitions. Self-broadened half-width and self-shift coefficients were measured for over 100 transitions. For select sets of transition pairs for the H_2O-air system we determined collisional line mixing coefficients via the off-diagonal relaxation matrix element formalism, and we also measured speed dependence parameters for 85 transitions. Modified Complex Robert Bonamy (MCRB) calculations of the half-widths, line shifts, and temperature dependences were made for self-, N_2-, O_2-, and air-broadening. The measurements and calculations are compared with each other and with similar parameters reported in the literature. D. C. Benner, C. P. Rinsland, V. Malathy Devi, M. A. H. Smith, D. Atkins, JQSRT 53 (1995) 705-721. A. Levy, N. Lacome, C. Chackerian, Collisional line mixing, in Spectroscopy of the Earth's Atmosphere and Interstellar Medium, Academic Press, Inc., Boston (1992) 261-337.

Irradiation defect dispersions and effective dislocation mobility in strained ferritic grains: A statistical analysis based on 3D dislocation dynamics simulations

NASA Astrophysics Data System (ADS)

Li, Y.; Robertson, C.

2018-06-01

The influence of irradiation defect dispersions on plastic strain spreading is investigated by means of three-dimensional dislocation dynamics (DD) simulations, accounting for thermally activated slip and cross-slip mechanisms in Fe-2.5%Cr grains. The defect-induced evolutions of the effective screw dislocation mobility are evaluated by means of statistical comparisons, for various defect number density and defect size cases. Each comparison is systematically associated with a quantitative Defect-Induced Apparent Straining Temperature shift (or «ΔDIAT»), calculated without any adjustable parameters. In the investigated cases, the ΔDIAT level associated with a given defect dispersion closely replicates the measured ductile to brittle transition temperature shift (ΔDBTT) due to the same, actual defect dispersion. The results are further analyzed in terms of dislocation-based plasticity mechanisms and their possible relations with the dose-dependent changes of the ductile to brittle transition temperature.

Effects of Coating and Diametric Load on Fiber Bragg Gratings as Cryogenic Temperature Sensors

NASA Technical Reports Server (NTRS)

Wu, meng-Chou; Pater, Ruth H.; DeHaven, Stanton L.

2008-01-01

Cryogenic temperature sensing was demonstrated using pressurized fiber Bragg gratings (PFBGs) with polymer coating of various thicknesses. The PFBG was obtained by applying a small diametric load to a regular fiber Bragg grating (FBG). The Bragg wavelengths of FBGs and PFBG were measured at temperatures from 295 K to 4.2 K. The temperature sensitivities of the FBGs were increased by the polymer coating. A physical model was developed to relate the Bragg wavelength shifts to the thermal expansion coefficients, Young's moduli, and thicknesses of the coating polymers. When a diametric load of no more than 15 N was applied to a FBG, a pressure-induced transition occurred at 200 K during the cooling cycle. The pressure induced transition yielded PFBG temperature sensitivities three times greater than conventional FBGs for temperatures ranging from 80 to 200 K, and ten times greater than conventional fibers for temperatures below 80 K. PFBGs were found to produce an increased Bragg wavelength shift of 2.2 nm compared to conventional FBGs over the temperature range of 4.2 to 300 K. This effect was independent of coating thickness and attributed to the change of the fiber thermo-optic coefficient.

Compendium of Post-Failure Analysis Techniques for Composite Materials.

DTIC Science & Technology

1987-01-01

HHdrocarbon 285.0 Ether or alcohol 286.5 Ketone 288.0 Ester 288.8 (Ref. 5) Figure 3-37. Carbon Peak Shifts in XPS 5-B70227Rt -130 " Hydrocarbon...structure overlays composite material since neutrons are not as attenuated by metal as X-rays, and are relatively sensitive to poly - meric materials...Thermal Aging 3-18 Glass Transition Temperature Determination - 3-37 TMA Penetration Test Setup 3-19 Glass Transition Temperature Determination - 3-37 TMA

Spectroscopic study of native defects in the semiconductor to metal phase transition in V2O5 nanostructure

NASA Astrophysics Data System (ADS)

Basu, Raktima; Dhara, Sandip

2018-04-01

Vanadium is a transition metal with multiple oxidation states and V2O5 is the most stable form among them. Besides catalysis, chemical sensing, and photo-chromatic applications, V2O5 is also reported to exhibit a semiconductor to metal transition (SMT) at a temperature range of 530-560 K. Even though there are debates in using the term "SMT" for V2O5, the metallic behavior above the transition temperature and its origin are of great interest in the scientific community. In this study, V2O5 nanostructures were deposited on a SiO2/Si substrate by the vapour transport method using Au as a catalyst. Temperature dependent electrical measurement confirms the SMT in V2O5 without any structural change. Temperature dependent photoluminescence analysis proves the appearance of oxygen vacancy related peaks due to reduction of V2O5 above the transition temperature, as also inferred from temperature dependent Raman spectroscopic studies. The newly evolved defect levels in the V2O5 electronic structure with increasing temperature are also understood from the downward shift of the bottom most split-off conduction bands due to breakdown of pdπ bonds leading to metallic behavior in V2O5 above the transition temperature.

Air-broadened Lorentz halfwidths and pressure-induced line shifts in the nu(4) band of C-13H4

NASA Technical Reports Server (NTRS)

Devi, V. Malathy; Benner, D. Chris; Rinsland, Curtis P.; Smith, Mary Ann H.

1988-01-01

Air-broadened halfwidths and pressure-induced line shifts in the nu(4) fundamental of C-13H4 were determined from spectra recorded at room temperature and at 0.01/cm resolution using a Fourier transform spectrometer. Halfwidths and pressure shifts were determined for over 180 transitions belonging to J-double prime values of less than or = to 16. Comparisons of air-broadened halfwidths and pressure-induced line shifts made for identical transitions in the nu(4) bands of C-12H4 and C-13H4 have shown that C-13H4 air-broadened halfwidths are about 5 percent smaller than the corresponding C-12H4 halfwidths, and the pressure shifts for C-13H4 lines are about 5-15 percent larger than those for C-12H4.

Effects of the thermal and magnetic paths on first order martensite transition of disordered Ni45Mn44Sn9In2 Heusler alloy exhibiting a giant magnetocaloric effect and magnetoresistance near room temperature

NASA Astrophysics Data System (ADS)

Chabri, T.; Ghosh, A.; Nair, Sunil; Awasthi, A. M.; Venimadhav, A.; Nath, T. K.

2018-05-01

The existence of a first order martensite transition in off-stoichiometric Ni45Mn44Sn9In2 ferromagnetic shape memory Heusler alloy has been clearly observed by thermal, magnetic, and magneto-transport measurements. Field and thermal path dependence of the change in large magnetic entropy and negative magnetoresistance are observed, which originate due to the sharp change in magnetization driven by metamagnetic transition from the weakly magnetic martensite phase to the ferromagnetic austenite phase in the vicinity of the martensite transition. The noticeable shift in the martensite transition with the application of a magnetic field is the most significant feature of the present study. This shift is due to the interplay of the austenite and martensite phase fraction in the alloy. The different aspects of the first order martensite transition, e.g. broadening of the martensite transition and the field induced arrest of the austenite phase are mainly related to the dynamics of coexisting phases in the vicinity of the martensite transition. The alloy also shows a second order ferromagnetic  →  paramagnetic transition near the Curie temperature of the austenite phase. A noticeably large change in magnetic entropy (ΔS M   =  24 J kg‑1 K‑1 at 298 K) and magnetoresistance (=  ‑33% at 295 K) has been observed for the change in 5 and 8 T magnetic fields, respectively. The change in adiabatic temperature for the change in a magnetic field of 5 T is found to be  ‑3.8 K at 299 K. The low cost of the ingredients and the large change in magnetic entropy very near to the room temperature makes Ni45Mn44Sn9In2 alloy a promising magnetic refrigerant for real technological application.

Measurements of spectral parameters of water-vapour transitions near 1388 and 1345 nm for accurate simulation of high-pressure absorption spectra

NASA Astrophysics Data System (ADS)

Liu, Xiang; Jeffries, Jay B.; Hanson, Ronald K.

2007-05-01

Quantitative near-infrared absorption spectroscopy of water-vapour overtone and combination bands at high pressures is complicated by pressure broadening and shifting of individual lines and the blending of neighbouring transitions. An experimental and computational methodology is developed to determine accurate high-pressure absorption spectra. This case study investigates two water-vapour transitions, one near 1388 nm (7203.9 cm-1) and the other near 1345 nm (7435.6 cm-1), for potential two-line absorption measurements of temperature in the range of 400-1050 K with a pressure varying from 5-25 atm. The required quantitative spectroscopy data (line strength, collisional broadening, and pressure-induced frequency shift) of the target transitions and their neighbours (a total of four H2O vapour transitions near 1388 nm and six transitions near 1345 nm) are measured in neat H2O vapour, H2O-air and H2O-CO2 mixtures as a function of temperature (296-1000 K) at low pressures (<800 Torr). Precise values of the line strength S(T), pressure-broadening coefficients γair(T) and \\gamma _{CO_2 } (T), and pressure-shift coefficients δair(T) and \\delta _{CO_2 } (T) for the ten transitions were inferred from the measured spectra and compared with data from HITRAN 2004. A hybrid spectroscopic database was constructed by modifying HITRAN 2004 to incorporate these values for simulation of water-vapour-absorption spectra at high pressures. Simulations using this hybrid database are in good agreement with high pressure experiments and demonstrate that data collected at modest pressures can be used to simulate high-pressure absorption spectra.

Decadal shifts of East Asian summer monsoon in a climate model free of explicit GHGs and aerosols

NASA Astrophysics Data System (ADS)

Lin, Renping; Zhu, Jiang; Zheng, Fei

2016-12-01

The East Asian summer monsoon (EASM) experienced decadal transitions over the past few decades, and the associated "wetter-South-drier-North" shifts in rainfall patterns in China significantly affected the social and economic development in China. Two viewpoints stand out to explain these decadal shifts, regarding the shifts either a result of internal variability of climate system or that of external forcings (e.g. greenhouse gases (GHGs) and anthropogenic aerosols). However, most climate models, for example, the Atmospheric Model Intercomparison Project (AMIP)-type simulations and the Coupled Model Intercomparison Project (CMIP)-type simulations, fail to simulate the variation patterns, leaving the mechanisms responsible for these shifts still open to dispute. In this study, we conducted a successful simulation of these decadal transitions in a coupled model where we applied ocean data assimilation in the model free of explicit aerosols and GHGs forcing. The associated decadal shifts of the three-dimensional spatial structure in the 1990s, including the eastward retreat, the northward shift of the western Pacific subtropical high (WPSH), and the south-cool-north-warm pattern of the upper-level tropospheric temperature, were all well captured. Our simulation supports the argument that the variations of the oceanic fields are the dominant factor responsible for the EASM decadal transitions.

Decadal shifts of East Asian summer monsoon in a climate model free of explicit GHGs and aerosols

PubMed Central

Lin, Renping; Zhu, Jiang; Zheng, Fei

2016-01-01

The East Asian summer monsoon (EASM) experienced decadal transitions over the past few decades, and the associated "wetter-South-drier-North" shifts in rainfall patterns in China significantly affected the social and economic development in China. Two viewpoints stand out to explain these decadal shifts, regarding the shifts either a result of internal variability of climate system or that of external forcings (e.g. greenhouse gases (GHGs) and anthropogenic aerosols). However, most climate models, for example, the Atmospheric Model Intercomparison Project (AMIP)-type simulations and the Coupled Model Intercomparison Project (CMIP)-type simulations, fail to simulate the variation patterns, leaving the mechanisms responsible for these shifts still open to dispute. In this study, we conducted a successful simulation of these decadal transitions in a coupled model where we applied ocean data assimilation in the model free of explicit aerosols and GHGs forcing. The associated decadal shifts of the three-dimensional spatial structure in the 1990s, including the eastward retreat, the northward shift of the western Pacific subtropical high (WPSH), and the south-cool-north-warm pattern of the upper-level tropospheric temperature, were all well captured. Our simulation supports the argument that the variations of the oceanic fields are the dominant factor responsible for the EASM decadal transitions. PMID:27934933

Brillouin-scattering study of liquid-glass transitions in ternary mixtures of water, trehalose, and an ionic liquid

NASA Astrophysics Data System (ADS)

Takayama, Haruki; Shibata, Tomohiko; Ishii, Takahiro; Kojima, Seiji

2013-04-01

Ternary mixtures of water, sugar, and ionic liquid have been studied as new candidates for bioprotectants. To clarify the elastic properties and relaxation dynamics of the supercooled liquid and glassy states at low temperatures, the liquid-glass transitions were investigated by using a micro-Brillouin-scattering technique. The refractive index was measured accurately as a function of content and temperature to determine the sound velocity and the attenuation from Brillouin frequency shift and peak width. The relaxation times of structural relaxations related to liquidglass transitions were determined as functions of temperature. The Meyer-Neldel rule was found to hold for the activation energy and the prefactor of the Arrhenius law for the relaxation time.

Connection between the conformation and emission properties of poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] single molecules during thermal annealing

NASA Astrophysics Data System (ADS)

Ou, Jiemei; Yang, Yuzhao; Lin, Wensheng; Yuan, Zhongke; Gan, Lin; Lin, Xiaofeng; Chen, Xudong; Chen, Yujie

2015-03-01

We investigated the transitions of conformations and their effects on emission properties of poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) single molecules in PMMA matrix during thermal annealing process. Total internal reflection fluorescence microscopy measurements reveal the transformation from collapsed conformations to extended, highly ordered rod-like structures of MEH-PPV single molecules during thermal annealing. The blue shifts in the ensemble single molecule PL spectra support our hypnosis. The transition occurs as the annealing temperature exceeds 100 °C, implying that an annealing temperature near the glass transition temperature Tg of matrix is ideal for the control and optimization of blend polymer films.

Landau theory for magnetic and structural transitions in CeCo_0.85Fe_0.15Si.

PubMed

Carreras, William Gabriel; Correa, Víctor Félix; Sereni, Julian G; García, Daniel J; Cornaglia, Pablo S

2018-06-05

We present a phenomenological analysis of the magnetoelastic properties of CeCo_0.85Fe_0.15Si at temperatures close to the Néel transition temperature T_N. Using a Landau functional we provide a qualitative description of the thermal expansion, magnetostriction, magnetization and specific heat data. We show that the available experimental results [Journal of Physics: Condensed Matter <b>28</b> 346003 (2016)] are consistent with the presence of a structural transition at T_s≧ T_N and a strong magnetoelastic coupling. The magnetoelastic coupling presents a Janus-faced effect: while the structural transition is shifted to higher temperatures as the magnetic field is increased, the resulting striction at low temperatures decreases. The strong magnetoelastic coupling and the proximity of the structural transition to the onset temperature for magnetic fluctuations, suggest that the transition could be an analogue of the tetragonal to orthorhombic observed in Fe-based pcnictides. . © 2018 IOP Publishing Ltd.

Temperature dependence of the band gap of GaSb{sub 1−x}Bi{sub x} alloys with 0 < x ≤ 0.042 determined by photoreflectance

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

Kopaczek, J.; Misiewicz, J.; Kudrawiec, R., E-mail: robert.kudrawiec@pwr.wroc.pl

2013-12-23

GaSb{sub 1−x}Bi{sub x} layers with 0 < x ≤ 0.042 have been studied by photoreflectance in 15–290 K temperature range. We found that due to the incorporation of Bi atoms into the GaSb host, the E{sub 0} band gap-related transition redshifts (∼30 meV per 1% Bi) and significantly broadens. The shift of the E{sub 0} transition in the temperature range 10–270 K has been found to be ∼70 meV, very similar to the energy shift in GaSb over the same temperature range. We analyzed the energy and broadening of the E{sub 0} transition using the Varshni and Bose-Einstein formulas and found that the Varshni and Bose-Einstein parameters ofmore » GaSb{sub 1−x}Bi{sub x} are similar to those of GaSb. Moreover we concluded that the inhomogeneities in GaSb{sub 1−x}Bi{sub x} alloys is less important than in dilute bismide arsenides since Bi atoms are more similar to Sb atoms (in electronegativities and ionic sizes)« less

Multi-proxy reconstructions of hydrologic change during the Eocene-Oligocene transition in the North American Interior

NASA Astrophysics Data System (ADS)

Eley, Y.; Hren, M. T.

2016-12-01

The dramatic shift from a 'greenhouse' to an 'icehouse' world that occurred during the Eocene-Oligocene transition (EOT, 34-33.5 Ma) is associated with changes in atmospheric and oceanic circulation patterns, extinction events in both marine and terrestrial ecosystems, and the establishment of a continental-scale ice sheet on Antarctica. Terrestrial records of the EOT, however, show limited consensus regarding the intensity and impact of this transition, complicating our understanding of how terrestrial hydrology responds to climatic change of this magnitude. Stable isotopes of fossil bones and teeth from the White River Group (WRG) in Nebraska have been interpreted to show an 8 °C decrease in mean annual temperatures across the EOT, with an increase in seasonality, however these studies find no evidence for accompanying changes in aridity. Conversely, other studies have inferred increased aridity in the early Oligocene based on changes in the δ18O and δ13C values of mammalian tooth enamel sampled from the same location. Some of this ambiguity is likely to stem from the difficulty in separating the influence of factors such as temperature, water availability and atmospheric circulation patterns on the δ18O composition of ungulate tooth enamel. We present paired leaf wax biomarker and clay hydrogen isotope data from the WRG to produce a new multi-proxy record of hydrological change and accompanying ecosystem shifts through the EOT in the North American interior. Hydrogen isotopes of clay minerals show a negative shift of <15‰ from the late Eocene through early Oligocene, while in contrast leaf wax n-alkanes record a negative shift in excess of 50‰, in tandem with a positive change in average chain length. We infer an increase in aridity from these data, with an associated potential shift in vegetation cover towards more savannah-style plant species as the climate became drier during the transition into the Oligocene. These data provide new constraints on the impact of the EOT in North America, and highlight the potential role of increasing aridity, in addition to declining temperatures, in shaping the hydrology of the region during this interval.

Spectroscopic study of trivalent praseodymium in barium yttrium fluoride

NASA Astrophysics Data System (ADS)

Bowlby, Brian Edward

1998-09-01

This work investigates the spectroscopic properties of trivalent praseodymium (Pr3+) in barium yttrium fluoride (BaY2F8). Two doping concentrations were studied: BaY2F8:Pr3+ (.3%) and BaY2F8:Pr3+ (1%). Absorption spectra were taken at 77K and 300K and these were then used to calculate the Judd-Ofelt coefficients for both samples. These coefficients were then used to calculate the theoretical lifetimes and radiative branching ratios for all manifolds. Continuous luminescence spectra and lifetime measurements were also performed, and from these, experimentally determined values for the branching ratio and lifetimes were determined. These were then compared to their theoretical counterparts. It was found that while the theory gave values that were qualitatively correct, the quantitative correlation between theory and experiment shows the complexity of the physical reality and the difficulty of synthesizing an encompassing theoretical model. Absorption spectra and continuous luminescence spectra were also used to determine the energy levels of all manifolds in both samples. A total of 59 energy levels in 11 manifolds were identified in the BaY2F8:Pr3+ (1%) sample, while 51 levels in 11 manifolds were identified in the BaY2F8:Pr3+ (.3%) sample. Finally, the effects of temperature on the line width and line position for several radiative transitions was studied. It was found that while most transitions exhibited the expected broadening and shifting towards longer wavelengths at higher temperatures (a 'red shift'), the transition from the 3P0 level to the 3H4 ground state showed a shift towards shorter wavelengths at higher temperature (a 'blue shift'). Again this highlights the complexity of the ion- host interaction.

Multispectrum Analysis of 12CH4 in the v4 Band: I. Air-Broadened Half Widths, Pressure-Induced Shifts, Temperature Dependences and Line Mixing

NASA Technical Reports Server (NTRS)

Smith, MaryAnn H.; Benner, D. Chris; Predoi-Cross, Adriana; Venkataraman, Malathy Devi

2009-01-01

Lorentz air-broadened half widths, pressure-induced shifts and their temperature dependences have been measured for over 430 transitions (allowed and forbidden) in the v4 band of (CH4)-12 over the temperature range 210 to 314 K. A multispectrum non linear least squares fitting technique was used to simultaneously fit a large number of high-resolution (0.006 to 0.01/cm) absorption spectra of pure methane and mixtures of methane diluted with dry air. Line mixing was detected for pairs of A-, E-, and F-species transitions in the P- and R-branch manifolds and quantified using the off-diagonal relaxation matrix elements formalism. The measured parameters are compared to air- and N2-broadened values reported in the literature for the v4 and other bands. The dependence of the various spectral line parameters upon the tetrahedral symmetry species and rotational quantum numbers of the transitions is discussed. All data used in the present work were recorded using the McMath-Pierce Fourier transform spectrometer located at the National Solar Observatory on Kitt Peak.

The 3D Kasteleyn transition in dipolar spin ice: a numerical study with the conserved monopoles algorithm

NASA Astrophysics Data System (ADS)

Baez, M. L.; Borzi, R. A.

2017-02-01

We study the three-dimensional Kasteleyn transition in both nearest neighbours and dipolar spin ice models using an algorithm that conserves the number of excitations. We first limit the interactions range to nearest neighbours to test the method in the presence of a field applied along ≤ft[1 0 0\\right] , and then focus on the dipolar spin ice model. The effect of dipolar interactions, which is known to be greatly self screened at zero field, is particularly strong near full polarization. It shifts the Kasteleyn transition to lower temperatures, which decreases  ≈0.4 K for the parameters corresponding to the best known spin ice materials, \\text{D}{{\\text{y}}2}\\text{T}{{\\text{i}}2}{{\\text{O}}7} and \\text{H}{{\\text{o}}2}\\text{T}{{\\text{i}}2}{{\\text{O}}7} . This shift implies effective dipolar fields as big as 0.05 T opposing the applied field, and thus favouring the creation of ‘strings’ of reversed spins. We compare the reduction in the transition temperature with results in previous experiments, and study the phenomenon quantitatively using a simple molecular field approach. Finally, we relate the presence of the effective residual field to the appearance of string-ordered phases at low fields and temperatures, and we check numerically that for fields applied along ≤ft[1 0 0\\right] there are only three different stable phases at zero temperature.

Magnetism of Ho 1-xTb xAl₂ alloys: Critical dependence of a first-order transition on Tb concentration

DOE PAGES

Khan, Mahmud; Mudryk, Ya.; Gschneidner, K. A.; ...

2011-12-27

HoAl₂ exhibits a first-order spin reorientation transition at 20 K, which is manifested as a sharp peak in the heat capacity. When Ho is partially replaced by only 5% of Tb, the sharp heat-capacity peak in Ho 1-xTb xAl₂ (x = 0.05) disappears, and then reappears again for x ≥ 0.07. For x = 0.05, the anomaly corresponding to the spin reorientation transition is barely seen in the heat capacity, but as x exceeds 0.07 the weak anomaly transforms to a sharp peak. The spin reorientation transition temperature increases to 29 K for x = 0.05, and as x increasesmore » further the transition shifts to lower temperature and returns to ~20 K for x = 0.25. The transition is no longer observed when x exceeds 0.60. Temperature-dependent x-ray powder-diffraction data confirm the first-order nature of the spin reorientation transition for the alloy with x = 0.40, and indicate that the compound retains the room-temperature cubic structure within the sensitivity of the technique. Experimental observations are discussed considering the easy magnetization directions of HoAl₂ and TbAl₂.« less

A neutral branched platinum-acetylide complex possessing a tetraphenylethylene core: preparation of a luminescent organometallic gelator and its unexpected spectroscopic behaviour during sol-to-gel transition.

PubMed

Ren, Yuan-Yuan; Wu, Nai-Wei; Huang, Junhai; Xu, Zheng; Sun, Dan-Dan; Wang, Cui-Hong; Xu, Lin

2015-10-21

A neutral branched platinum-acetylide complex TPA possessing a tetraphenylethylene core was successfully prepared, which was found to form luminescent organometallic gels in ethyl acetate. Stimulated by temperature or F(-), the reversible gel-sol transition was realized. More interestingly, TPA exhibited an unexpected blue shift of the emission during the sol-to-gel transition.

Highly responsive ground state of PbTaSe 2 : Structural phase transition and evolution of superconductivity under pressure

DOE PAGES

Kaluarachchi, Udhara S.; Deng, Yuhang; Besser, Matthew F.; ...

2017-06-09

Transport and magnetic studies of PbTaSe 2 under pressure suggest the existence of two superconducting phases with the low temperature phase boundary at ~ 0.25 GPa that is defined by a very sharp, first order, phase transition. The first order phase transition line can be followed via pressure dependent resistivity measurements, and is found to be near 0.12 GPa near room temperature. Transmission electron microscopy and x-ray diffraction at elevated temperatures confirm that this first order phase transition is structural and occurs at ambient pressure near ~ 425 K. The new, high temperature/high pressure phase has a similar crystal structuremore » and slightly lower unit cell volume relative to the ambient pressure, room temperature structure. Based on first-principles calculations this structure is suggested to be obtained by shifting the Pb atoms from the 1 a to 1 e Wyckoff position without changing the positions of Ta and Se atoms. PbTaSe 2 has an exceptionally pressure sensitive, structural phase transition with Δ T s / Δ P ≈ -1400 K/GPa near room temperature, and ≈ -1700 K/GPa near 4 K. This first order transition causes a ~ 1 K (~ 25 % ) steplike decrease in T c as pressure is increased through 0.25 GPa.« less

Carbon Dioxide Line Shapes for Atmospheric Remote Sensing

NASA Astrophysics Data System (ADS)

Predoi-Cross, Adriana; Ibrahim, Amr; Wismath, Alice; Teillet, Philippe M.; Devi, V. Malathy; Benner, D. Chris; Billinghurst, Brant

2010-02-01

We present a detailed spectroscopic study of carbon dioxide in support of atmospheric remote sensing. We have studied two weak absorption bands near the strong ν2 band that is used to derive atmospheric temperature profiles. We have analyzed our laboratory spectra recorded with the synchrotron and globar sources with spectral line profiles that reproduce the absorption features with high accuracy. The Q-branch transitions exhibited asymmetric line shape due to weak line-mixing. For these weak transitions, we have retrieved accurate experimental line strengths, self- and air-broadening, self- and air-induced shift coefficients and weak line mixing parameters. The experimental precision is sufficient to reveal inherent variations of the width and shift coefficients according to transition quantum numbers.

Nature of the first-order liquid-liquid phase transition in supercooled silicon

NASA Astrophysics Data System (ADS)

Zhao, G.; Yu, Y. J.; Tan, X. M.

2015-08-01

The first-order liquid-liquid phase transition in supercooled Si is revisited by long-time first-principle molecular dynamics simulations. As the focus of the present paper, its nature is revealed by analyzing the inherent structures of low-density liquid (LDL) and high-density liquid (HDL). Our results show that it is a transition between a sp3-hybridization LDL and a white-tin-like HDL. This uncovers the origin of the semimetal-metal transition accompanying it and also proves that HDL is the metastable extension of high temperature equilibrium liquid into the supercooled regime. The pressure-temperature diagram of supercooled Si thus can be regarded in some respects as shifted reflection of its crystalline phase diagram.

Air- and Self-Broadened Half Widths, Pressure-Induced Shifts, and Line Mixing in the Nu(sub 2) Band of (12)CH4

NASA Technical Reports Server (NTRS)

Smith, M. A. H.; Benner, D. Chris; Pedroi-Cross, A.; Devi, V. Malathy

2013-01-01

Lorentz self- and air-broadened half width and pressure-induced shift coefficients and their dependences on temperature have been measured from laboratory absorption spectra for nearly 130 transitions in the nu(sub 2) band of (12)CH4. In addition line mixing coefficients (using the relaxation matrix element formalism) for both self- and airbroadening were experimentally determined for the first time for a small number of transitions in this band. Accurate line positions and absolute line intensities were also determined. These parameters were obtained by analyzing high-resolution (approx. 0.003 to 0.01 per cm) laboratory spectra of high-purity natural CH4 and air-broadened CH4 recorded at temperatures between 226 and 297 K using the McMath-Pierce Fourier transform spectrometer (FTS) located at the National Solar Observatory on Kitt Peak, Arizona. A multispectrum nonlinear least squares technique was used to fit short (5-15 per cm) spectral intervals in 24-29 spectra simultaneously. Parameters were determined for nu(sub 2) transitions up to J" = 16. The variations of the measured broadening and shift parameters with the rotational quantum number index and tetrahedral symmetry species are examined. The present results are also compared with previous measurements available in the literature.

Climatology of winter transition days for the contiguous USA, 1951-2007

NASA Astrophysics Data System (ADS)

Hondula, David M.; Davis, Robert E.

2011-01-01

In middle and high latitudes, climate change could impact the frequency and characteristics of frontal passages. Although transitions between air masses are significant features of the general circulation that influence human activities and other surface processes, they are much more difficult to objectively identify than single variables like temperature or even extreme events like fires, droughts, and floods. The recently developed Spatial Synoptic Classification (SSC) provides a fairly objective means of identifying frontal passages. In this research, we determine the specific meteorological patterns represented by the SSC's Transition category, a "catch-all" group that attempts to identify those days that cannot be characterized as a single, homogeneous air mass type. The result is a detailed transition climatology for the continental USA. We identify four subtypes of the Transition category based on intra-day sea level pressure change and dew point temperature change. Across the contiguous USA, most transition days are identified as cold fronts and warm fronts during the winter season. Among the two less common subtypes, transition days in which the dew point temperature and pressure both rise are more frequently observed across the western states, and days in which both variables fall are more frequently observed in coastal regions. The relative frequencies of wintertime warm and cold fronts have changed over the period 1951-2007. Relative cold front frequency has significantly increased in the Northeast and Midwest regions, and warm front frequencies have declined in the Midwest, Rocky Mountain, and Pacific Northwest regions. The overall shift toward cold fronts and away from warm fronts across the northern USA arises from a combination of an enhanced ridge over western North America and a northward shift of storm tracks throughout the mid-latitudes. These results are consistent with projections of climate change associated with elevated greenhouse gas concentrations.

Magnetic Properties of the Ferromagnetic Shape Memory Alloys Ni50+xMn27−xGa23 in Magnetic Fields

PubMed Central

Sakon, Takuo; Otsuka, Kohei; Matsubayashi, Junpei; Watanabe, Yuushi; Nishihara, Hironori; Sasaki, Kenta; Yamashita, Satoshi; Umetsu, Rie Y.; Nojiri, Hiroyuki; Kanomata, Takeshi

2014-01-01

Thermal strain, permeability, and magnetization measurements of the ferromagnetic shape memory alloys Ni50+xMn27−xGa23 (x = 2.0, 2.5, 2.7) were performed. For x = 2.7, in which the martensite transition and the ferromagnetic transition occur at the same temperature, the martensite transition starting temperature TMs shift in magnetic fields around a zero magnetic field was estimated to be dTMs/dB = 1.1 ± 0.2 K/T, thus indicating that magnetic fields influences martensite transition. We discussed the itinerant electron magnetism of x = 2.0 and 2.5. As for x = 2.5, the M4 vs. B/M plot crosses the origin of the coordinate axis at the Curie temperature, and the plot indicates a good linear relation behavior around the Curie temperature. The result is in agreement with the theory by Takahashi, concerning itinerant electron ferromagnets. PMID:28788645

Unveiling the Dependence of Glass Transitions on Mixing Thermodynamics in Miscible Systems

NASA Astrophysics Data System (ADS)

Tu, Wenkang; Wang, Yunxi; Li, Xin; Zhang, Peng; Tian, Yongjun; Jin, Shaohua; Wang, Li-Min

2015-02-01

The dependence of the glass transition in mixtures on mixing thermodynamics is examined by focusing on enthalpy of mixing, ΔHmix with the change in sign (positive vs. negative) and magnitude (small vs. large). The effects of positive and negative ΔHmix are demonstrated based on two isomeric systems of o- vs. m- methoxymethylbenzene (MMB) and o- vs. m- dibromobenzene (DBB) with comparably small absolute ΔHmix. Two opposite composition dependences of the glass transition temperature, Tg, are observed with the MMB mixtures showing a distinct negative deviation from the ideal mixing rule and the DBB mixtures having a marginally positive deviation. The system of 1, 2- propanediamine (12PDA) vs. propylene glycol (PG) with large and negative ΔHmix is compared with the systems of small ΔHmix, and a considerably positive Tg shift is seen. Models involving the properties of pure components such as Tg, glass transition heat capacity increment, ΔCp, and density, ρ, do not interpret the observed Tg shifts in the systems. In contrast, a linear correlation is revealed between ΔHmix and maximum Tg shifts.

Origin of two maxima in specific heat in enthalpy relaxation under thermal history composed of cooling, annealing, and heating.

PubMed

Sakatsuji, Waki; Konishi, Takashi; Miyamoto, Yoshihisa

2016-12-01

The origin of two maxima in specific heat observed at the higher and the lower temperatures in the glass-transition region in the heating process has been studied for polymethyl methacrylate and polyvinyl chloride using differential scanning calorimetry, and the calculation was done using the phenomenological model equation under a thermal history of the typical annealing experiment composed of cooling, annealing, and heating. The higher maximum is observed above the glass-transition temperature, and it remains almost unchanged independent of annealing time t_{a}, while the lower one is observed above an annealing temperature T_{a} and shifts toward the higher one, increasing its magnitude with t_{a}. The analysis by the phenomenological model equation proposed in order to interpret the memory effect in the glassy state clarifies that under a typical annealing history, two maxima in specific heat essentially appear. The shift of the lower maximum toward higher temperatures from above T_{a} is caused by an increase in the amount of relaxation during annealing with t_{a}. The annealing temperature and the amount of relaxation during annealing play a major role in the determination of the number of maxima in the specific heat.

Line parameters for CO2- and self-broadening in the ν3 band of HD16O

NASA Astrophysics Data System (ADS)

Devi, V. Malathy; Benner, D. Chris; Sung, Keeyoon; Crawford, Timothy J.; Gamache, Robert R.; Renaud, Candice L.; Smith, Mary Ann H.; Mantz, Arlan W.; Villanueva, Geronimo L.

2017-12-01

Pressure-broadened line shape parameters of transitions in the ν3 band of HDO (ν0 = 3707.4 cm-1) were measured from spectra of HDO and mixtures of HDO and CO2 for application to accurate retrievals of HDO abundances and D/H ratios for CO2-rich planetary atmospheres of Mars and Venus. A few calculated line lists have recently been published on HDO-CO2 line shapes and their temperature dependences, but the present study represents the first laboratory measurements of those parameters in the ν3 band; Measurements for nearly 100 transitions in the ν3 band have been made. Room temperature measurements of self-broadened width and shift coefficients for all of these transitions, line mixing via off-diagonal relaxation matrix element coefficients and quadratic speed dependence parameter were measured for the majority of these transitions. All these measurements were made by simultaneously fitting eleven high-resolution spectra of HDO and HDO-CO2 mixtures at various temperatures and pressures recorded with the Bruker Fourier transform spectrometer at the Jet Propulsion Laboratory. Two specially built coolable absorption cells with path lengths of 20.38 cm and 20.941 m were used to contain the sample mixtures. Multispectrum nonlinear least squares fitting algorithm was employed in the analysis. Calculations using the Modified Complex Robert-Bonamy formalism (MCRB) were made for the half-width coefficients, their temperature dependences and pressure shift coefficients for the HDO-CO2 and HDO-HDO collision systems. The calculations were made for all ν3 band transitions in the 1100-4100 cm-1 region on the HITRAN2012 database. Present measurements are compared with the MCRB calculations and other literature values.

Disentangling flows in the solar transition region

NASA Astrophysics Data System (ADS)

Zacharias, P.; Hansteen, V. H.; Leenaarts, J.; Carlsson, M.; Gudiksen, B. V.

2018-06-01

Context. The measured average velocities in solar and stellar spectral lines formed at transition region temperatures have been difficult to interpret. The dominant redshifts observed in the lower transition region naturally leads to the question of how the upper layers of the solar (and stellar) atmosphere can be maintained. Likewise, no ready explanation has been made for the average blueshifts often found in upper transition region lines. However, realistic three-dimensional radiation magnetohydrodynamics (3D rMHD) models of the solar atmosphere are able to reproduce the observed dominant line shifts and may thus hold the key to resolve these issues. Aims: These new 3D rMHD simulations aim to shed light on how mass flows between the chromosphere and corona and on how the coronal mass is maintained. These simulations give new insights into the coupling of various atmospheric layers and the origin of Doppler shifts in the solar transition region and corona. Methods: The passive tracer particles, so-called corks, allow the tracking of parcels of plasma over time and thus the study of changes in plasma temperature and velocity not only locally, but also in a co-moving frame. By following the trajectories of the corks, we can investigate mass and energy flows and understand the composition of the observed velocities. Results: Our findings show that most of the transition region mass is cooling. The preponderance of transition region redshifts in the model can be explained by the higher percentage of downflowing mass in the lower and middle transition region. The average upflows in the upper transition region can be explained by a combination of both stronger upflows than downflows and a higher percentage of upflowing mass. The most common combination at lower and middle transition region temperatures are corks that are cooling and traveling downward. For these corks, a strong correlation between the pressure gradient along the magnetic field line and the velocity along the magnetic field line has been observed, indicating a formation mechanism that is related to downward propagating pressure disturbances. Corks at upper transition region temperatures are subject to a rather slow and highly variable but continuous heating process. Conclusions: Corks are shown to be an essential tool in 3D rMHD models in order to study mass and energy flows. We have shown that most transition region plasma is cooling after having been heated slowly to upper transition region temperatures several minutes before. Downward propagating pressure disturbances are identified as one of the main mechanisms responsible for the observed redshifts at transition region temperatures. The movie associated to Fig. 3 is available at http://www.aanda.org

Magnetic and magnetocaloric properties of Ni-Mn-Cr-Sn Heusler alloys under the effects of hydrostatic pressure

NASA Astrophysics Data System (ADS)

Pandey, Sudip; Us Saleheen, Ahmad; Quetz, Abdiel; Chen, Jing-Han; Aryal, Anil; Dubenko, Igor; Stadler, Shane; Ali, Naushad

2018-05-01

The magnetic, thermal, and magnetocaloric properties of Ni45Mn43CrSn11 Heusler alloy have been investigated using differential scanning calorimetry and magnetization with hydrostatic pressure measurements. A shift in the martensitic transition temperature (TM) to higher temperatures was observed with the application of pressure. The application of pressure stabilizes the martensitic state and demonstrated that pressure can be a parameter used to control and tune the martensitic transition temperature (the temperature where the largest magnetocaloric effect is observed). The magnetic entropy change significantly decreases from 33 J/kg K to 16 J/kg K under the application of a hydrostatic pressure of 0.95 GPa. The critical field of the direct metamagnetic transition increases, whereas the initial susceptibility (dM/dH) in the low magnetic field region drastically decreases with increasing pressure. The relevant parameters that affect the magnetocaloric properties are discussed.

Extrinsic and intrinsic properties in metal–insulator transition of hydrothermally prepared vanadium dioxide crystals

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

Lee, Myeongsoon; Kim, Don, E-mail: donkim@pknu.ac.kr

2014-03-01

The clear insulator (monoclinic-VO{sub 2}) to metal (rutile-VO{sub 2}) transition (IMT) was observed in electrical conductivity and differential scanning calorimeter (DSC) measurements at around 340 K, which is IMT temperature (T{sub H}), in the hydrothermally prepared VO{sub 2} crystals. The occurrence of metal to insulator transition (MIT) temperature (T{sub C}) was observed below 333 K during the first resistance measurement cycle in the most of cases. The sudden jump of the electrical resistance at IMT and MIT points was amplified several times than that of the first cycle during the repeated successive thermal cycles (heating and cooling across the IMTmore » and MIT temperatures). T{sub C} and T{sub H} shifted to higher temperature by the repeated successive thermal cycles. This shift and the amplified jump might be related to the mechanical stress between the VO{sub 2} crystals, i.e. extrinsic properties. However, the starting point of MIT, T{sub CS} = ∼ 336 K, and the starting point of IMT, T{sub HS} = ∼ 338 K, kept almost constant during the repeated thermal cycles (< 10 times). These two temperatures may be related to the intrinsic properties of the VO{sub 2}: the phase transitions initiated at these temperatures regardless of the number of the repeated thermal cycles. The neat surface of the VO{sub 2} crystals was severely damaged and the average size of particles reduced from 110 nm to 70–90 nm after extensively repeated thermal cycles (> 70 times). The damaged surface and the smaller particles, which would be originated from the mechanical stress caused by crystal volume change during the first order transition of the VO{sub 2}, would weaken the electrical conduction path (loosen grain boundaries) between the VO{sub 2} single crystals and would result in the amplified jump at the following MIT. This report may boost the study for the improved stability and lifetime of the VO{sub 2} based electronic devices. - Highlights: • The sharp phase transition in cluster of VO{sub 2} crystals depends on repeated thermal cycles. • Two intrinsic and two extrinsic temperatures are observed during the phase transition. • The mechanical stress change and surface damage may cause the extrinsic properties in transport measurement.« less

Picosecond time-resolved measurements of dense plasma line shifts

DOE PAGES

Stillman, C. R.; Nilson, P. M.; Ivancic, S. T.; ...

2017-06-13

Picosecond time-resolved x-ray spectroscopy is used to measure the spectral line shift of the 1s2p–1s 2 transition in He-like Al ions as a function of the instantaneous plasma conditions. The plasma temperature and density are inferred from the Al He α complex using a nonlocal-thermodynamic-equilibrium atomic physics model. The experimental spectra show a linearly increasing red shift for electron densities of 1 to 5 × 10 23 cm –3. Furthermore, the measured line shifts are broadly consistent with a generalized analytic line-shift model based on calculations of a self-consistent field ion sphere model.

Picosecond time-resolved measurements of dense plasma line shifts

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

Stillman, C. R.; Nilson, P. M.; Ivancic, S. T.

Picosecond time-resolved x-ray spectroscopy is used to measure the spectral line shift of the 1s2p–1s 2 transition in He-like Al ions as a function of the instantaneous plasma conditions. The plasma temperature and density are inferred from the Al He α complex using a nonlocal-thermodynamic-equilibrium atomic physics model. The experimental spectra show a linearly increasing red shift for electron densities of 1 to 5 × 10 23 cm –3. Furthermore, the measured line shifts are broadly consistent with a generalized analytic line-shift model based on calculations of a self-consistent field ion sphere model.

Temperature-induced sol-gel transition and microgel formation in α-actinin cross-linked actin networks: A rheological study

NASA Astrophysics Data System (ADS)

Tempel, M.; Isenberg, G.; Sackmann, E.

1996-08-01

We have studied the sol-gel transition, the viscoelastic and the structural properties of networks constituted of semiflexible actin filaments cross-linked by α-actinin. Cross-linking was regulated in a reversible way by varying the temperature through the association-dissociation equilibrium of the actin-α-actinin system. Viscoelastic parameters [shear storage modulus G'(ω), phase shift tan(Φ)(ω), creep compliance J(t)] were measured as a function of temperature and actin-to-cross-linker ratio by a magnetically driven rotating disc rheometer. G'(ω) and tan(Φ)(ω) were studied at a frequency ω corresponding to the elastic plateau regime of the G'(ω) versus ω spectrum of the purely entangled solution. The microstructure of the networks was viewed by negative staining electron microscopy (EM). The phase shift tan(Φ) (or equivalently the viscosity η) diverges and reaches a maximum when approaching the apparent gel point from lower and higher temperatures, and the maximum defines the gel point (temperature Tg). The elastic plateau modulus G'N diverges at temperatures beyond this gel point TTg. The cross-linking transition (corresponding to a sol-gel transition at zero frequency) is interpreted in terms of a percolation model and the divergence of G'N at TTg), (2) that microscopic segregation takes place at T<=Tg leading to local formation of clusters (a state termed microgel), and (3) that at low actin-α-actinin ratios (rAα<=10) and low temperatures (T<=10 °C) macroscopic segregation into bundles of cross-linked actin filaments and a diluted solution of actin filaments is observed. The three regimes of network structure are represented by an equivalent phase diagram.

10 CFR 50.61 - Fracture toughness requirements for protection against pressurized thermal shock events.

Code of Federal Regulations, 2012 CFR

2012-01-01

... (b)(6) of this section, with RTPTS accounting for the effects of annealing and subsequent irradiation...) ΔRTNDT is the mean value of the transition temperature shift, or change in RTNDT, due to irradiation, and... may not exceed twice those values. (D) The irradiation temperature of the Charpy specimens in the...

10 CFR 50.61 - Fracture toughness requirements for protection against pressurized thermal shock events.

Code of Federal Regulations, 2014 CFR

2014-01-01

... (b)(6) of this section, with RTPTS accounting for the effects of annealing and subsequent irradiation...) ΔRTNDT is the mean value of the transition temperature shift, or change in RTNDT, due to irradiation, and... may not exceed twice those values. (D) The irradiation temperature of the Charpy specimens in the...

10 CFR 50.61 - Fracture toughness requirements for protection against pressurized thermal shock events.

Code of Federal Regulations, 2013 CFR

2013-01-01

... (b)(6) of this section, with RTPTS accounting for the effects of annealing and subsequent irradiation...) ΔRTNDT is the mean value of the transition temperature shift, or change in RTNDT, due to irradiation, and... may not exceed twice those values. (D) The irradiation temperature of the Charpy specimens in the...

10 CFR 50.61 - Fracture toughness requirements for protection against pressurized thermal shock events.

Code of Federal Regulations, 2011 CFR

2011-01-01

... (b)(6) of this section, with RTPTS accounting for the effects of annealing and subsequent irradiation...) ΔRTNDT is the mean value of the transition temperature shift, or change in RTNDT, due to irradiation, and... may not exceed twice those values. (D) The irradiation temperature of the Charpy specimens in the...

Is the Climate of Bering Sea Warming and Affecting the Ecosystem?

NASA Astrophysics Data System (ADS)

Overland, James E.; Stabeno, Phyllis J.

2004-08-01

Observations from the Bering Sea are good indicators of decadal shifts in climate, as the Bering is a transition region between the cold, dry Arctic air mass to the north, and the moist, relatively warm maritime air mass to the south. The Bering Sea is also a transition region between Arctic and sub-Arctic ecosystems; this boundary can be loosely identified with the extent of winter sea-ice cover. Like a similar transition zone in the eastern North Atlantic, the Bering Sea is experiencing a northward biogeographical shift in response to changing temperature and atmospheric forcing. If this shift continues over the next decade, it will have major impacts on commercial and subsistence harvests as Arctic species are displaced by sub-Arctic species. The stakes are enormous, as this rich and diverse ecosystem currently provides 47% of the U.S. fishery production by weight, and is home to 80% of the U.S. sea bird population, 95% of northern fur seals, and major populations of Steller sea lions, walrus, and whales.

Systematic investigation of structural and morphological studies on doped TiO2 nanoparticles for solar cell applications

NASA Astrophysics Data System (ADS)

Murugadoss, G.; Jayavel, R.; Rajesh Kumar, M.

2014-12-01

Optical, structural and thermal properties of the doped with different ions (transition metals, other metals or post transition metals, non-metals, alkali metals and lanthanides) in TiO2 nanocrystals were investigated. The doped nanoparticles were synthesized by modified chemical method. Ethanol-deionised water mixer (20:1) was used as solvent for synthesize of the undoped and doped TiO2 nanoparticles. Systematic studies on structural and morphological changes by thermal treatment on TiO2 were examined. It has been observed that with Eu and Al doping TiO2, the phase transition temperature for anatase to rutile phase increased. Blue and red shifting absorptions were observed for doped TiO2 in visible region. Among the dopant, significant blue shift was obtained for Cu, Cd, Ag, Y, Ce and In doped TiO2 and red shift was obtained for Zr, Sm, Al, Na, S, Fe, Ni, Eu and Gd doped TiO2 nanoparticles.

Probing the interaction of noble gases with pristine and nitrogen-doped graphene through Raman spectroscopy

NASA Astrophysics Data System (ADS)

Cunha, Renato; Perea-López, Néstor; Elías, Ana Laura; Fujisawa, Kazunori; Carozo, Victor; Feng, Simin; Lv, Ruitao; dos Santos, Maria Cristina; Terrones, Mauricio; Araujo, Paulo T.

2018-05-01

The interactions of adsorbates with graphene have received increasing attention due to its importance in the development of applications involving graphene-based coatings. Here, we present a study of the adsorption of noble gases on pristine and nitrogen-doped graphene. Single-layer graphene samples were synthesized by chemical vapor deposition (CVD) and transferred to transmission electron microscopy (TEM) grids. Several noble gases were allowed to adsorb on the suspended graphene substrate at very low temperatures. Raman spectra show distinct frequency blue shifts in both the 2D and G bands, which are induced by gas adsorption onto high quality single layer graphene (1LG). These shifts, which we associate with compressive biaxial strain in the graphene layers induced by the noble gases, are negligible for nitrogen-doped graphene. Additionally, a thermal depinning transition, which is related to the desorption of a noble gas layer from the graphene surface at low temperatures (ranging from 20 to 35 K), was also observed at different transition temperatures for different noble gases. These transition temperatures were found to be 25 K for argon and 35 K for xenon. Moreover, we were able to obtain values for the compressive biaxial strain in graphene induced by the adsorbed layer of noble gases, using Raman spectroscopy. Ab initio calculations confirmed the correlation between the noble gas-induced strain and the changes in the Raman features observed.

Measurements of air-broadened and nitrogen-broadened half-widths and shifts of ozone lines near 9 microns

NASA Technical Reports Server (NTRS)

Smith, M. A. H.; Rinsland, C. P.; Devi, Malathy V.; Benner, D. Chris; Thakur, K. B.

1988-01-01

Air- and nitrogen-broadened half-widths and line shifts at room temperature for more than 60 individual vibration-rotation transitions in the nu1 fundamental band of (O-16)3 and several transitions in the nu3 band were determined from infrared absorption spectra. These spectra were recorded at 0.005/cm resolution with a Fourier-transform spectrometer. A tunable-diode-laser spectrometer operating in the 1090-1150/cm region was also used to record data on oxygen-, nitrogen-, and air-broadened half-widths for selected individual transitions. The nitrogen- and air-broadened half-widths determined by these two different measurement techniques are consistent to within 4 percent. The results are in good agreement with other published measurements and calculations.

The recombination mechanisms leading to amplified spontaneous emission at the true-green wavelength in CH3NH3PbBr3 perovskites

NASA Astrophysics Data System (ADS)

Priante, D.; Dursun, I.; Alias, M. S.; Shi, D.; Melnikov, V. A.; Ng, T. K.; Mohammed, O. F.; Bakr, O. M.; Ooi, B. S.

2015-02-01

We investigated the mechanisms of radiative recombination in a CH3NH3PbBr3 hybrid perovskite material using low-temperature, power-dependent (77 K), and temperature-dependent photoluminescence (PL) measurements. Two bound-excitonic radiative transitions related to grain size inhomogeneity were identified. Both transitions led to PL spectra broadening as a result of concurrent blue and red shifts of these excitonic peaks. The red-shifted bound-excitonic peak dominated at high PL excitation led to a true-green wavelength of 553 nm for CH3NH3PbBr3 powders that are encapsulated in polydimethylsiloxane. Amplified spontaneous emission was eventually achieved for an excitation threshold energy of approximately 350 μJ/cm2. Our results provide a platform for potential extension towards a true-green light-emitting device for solid-state lighting and display applications.

Nuclear magnetic resonance investigation of erythrocyte membranes in chronic myeloproliferative disorders.

PubMed

Morariu, V V; Petrov, L

1986-07-01

The temperature dependence of the apparent water diffusional exchange through erythrocyte membranes in cases of policitemia vera, chronic granulocytic leukemia and primary myelofibrosis was measured by using a nuclear magnetic resonance method in the presence of Mn2+. The thermal transition shifted to lower temperatures in all cases, regardless of the stage of the disease, suggesting a structural alteration of the membrane. The shift of transition indirectly suggests a lower penetration of the erythrocytes by Mn2+. The water exchange time at 37 degrees C also increased, mainly in the blast crisis; it seems to have a prognostic value of some clinical interest. No simple correlation of the water exchange and the following clinical investigations was observed: the white count, the percentage of promyelocites and myeloblasts, the sedimentation rate of blood, the osmotic fragility of erythrocytes, the total concentration of proteins, albumin and immunoglobulins, respectively, in plasma.

First-order martensitic transformation in Heusler-type glass-coated microwires

NASA Astrophysics Data System (ADS)

Zhukov, A.; Ipatov, M.; del Val, J. J.; Taskaev, S.; Churyukanova, M.; Zhukova, V.

2017-12-01

Properly annealed Ni-Mn-Ga glass-covered microwires exhibit a hysteretic anomaly on the temperature dependence of magnetization attributed to the first order martensitic transformation. The temperatures of the structural and magnetic transitions are drastically affected by annealing conditions. Annealed glass-coated Ni-Mn-Ga microwires show a Curie temperature shift close to room temperature. The temperature and magnetic field dependences of magnetization are discussed in terms of atomic disorder, the release of internal stresses, and recrystallization after annealing.

Halogenated Alkyltetrazoles for the Rational Design of FeII Spin-Crossover Materials: Fine-Tuning of the Ligand Size.

PubMed

Müller, Danny; Knoll, Christian; Seifried, Marco; Welch, Jan M; Giester, Gerald; Reissner, Michael; Weinberger, Peter

2018-04-06

1-(3-Halopropyl)-1H-tetrazoles and their corresponding Fe II spin-crossover complexes have been investigated in a combined experimental and theoretical study. Halogen substitution was found to positively influence the spin transition, shifting the transition temperature about 70 K towards room temperature. Halogens located at the ω position were found to be too far away from the coordinating tetrazole moiety to have an electronic impact on the spin transition. The subtle variation of the steric demand of the ligand in a highly comparable series was found to have a comparatively large impact on the spin-transition behavior, which highlights the sensitivity of the effect to subtle structural changes. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dielectric, thermal and Raman spectroscopy studies of lead-free (Na0.5Bi0.5)1-xSrxTiO3 (x = 0, 0.04 and 0.06) ceramics

NASA Astrophysics Data System (ADS)

Suchanicz, J.; Bovtun, V.; Dutkiewicz, E. M.; Konieczny, K.; Sitko, D.; Kluczewska, K.; Wajda, A.; Kalvane, A.; Sternberg, A.

2016-08-01

Lead-free (Na0.5Bi0.5)1-xSrxTiO3 (x = 0, 0.04 and 0.06) ceramics with relative densities above 97% were prepared by solid-state synthesis process. Their dielectric, thermal and Raman properties were studied. X-ray diffraction analysis shows perovskite structure with rhombohedral symmetry at room temperature. Sr doping of Na0.5Bi0.5TiO3 (NBT) results in an increase of the dielectric permittivity, diffusing of the permittivity maximum and its shift toward lower temperatures. The temperature of the rhombohedral-tetragonal phase transition indicated by the differential scanning calorimetry (DSC) peak and relaxational dielectric anomaly near the depolarization temperature are also shifted toward lower temperatures. The observed increase and broadening of the permittivity maximum, enhancement of the dielectric relaxation near the depolarization temperature, broadening of the DSC anomaly related to the rhombohedral-tetragonal phase transition and broadening of the Raman bands with increasing Sr content are attributed to the increase of the degree of cationic disorder and evident enhancement of the relaxor-like features in NBT-xST. This enhancement could play a positive role in the improvement of the piezoelectric performance of NBT-based ceramics.

Dimorphism in Histoplasma capsulatum: a model for the study of cell differentiation in pathogenic fungi.

PubMed Central

Maresca, B; Kobayashi, G S

1989-01-01

Several fungi can assume either a filamentous or a unicellular morphology in response to changes in environmental conditions. This process, known as dimorphism, is a characteristic of several pathogenic fungi, e.g., Histoplasma capsulatum, Blastomyces dermatitidis, and Paracoccidioides brasiliensis, and appears to be directly related to adaptation from a saprobic to a parasitic existence. H. capsulatum is the most extensively studied of the dimorphic fungi, with a parasitic phase consisting of yeast cells and a saprobic mycelial phase. In culture, the transition of H. capsulatum from one phase to the other can be triggered reversibly by shifting the temperature of incubation between 25 degrees C (mycelia) and 37 degrees C (yeast phase). Mycelia are found in soil and never in infected tissue, in contrast to the yeast phase, which is the only form present in patients. The temperature-induced phase transition and the events in establishment of the disease state are very likely to be intimately related. Furthermore, the temperature-induced phase transition implies that each growth phase is an adaptation to two critically different environments. A fundamental question concerning dimorphism is the nature of the signal(s) that responds to temperature shifts. So far, both the responding cell component(s) and the mechanism(s) remain unclear. This review describes the work done in the last several years at the biochemical and molecular levels on the mechanisms involved in the mycelium to yeast phase transition and speculates on possible models of regulation of morphogenesis in dimorphic pathogenic fungi. Images PMID:2666842

Impact of nanoconfinement on the diisopropylammonium chloride (C6H16ClN) organic ferroelectric

NASA Astrophysics Data System (ADS)

Baryshnikov, S. V.; Charnaya, E. V.; Milinskiy, A. Yu.; Parfenov, V. A.; Egorova, I. V.

2018-03-01

The dielectric studies of diisopropylammonium chloride (DIPAC) nanoparticles embedded into opal and MCM-41 silica matrices are presented. It is shown that the ferroelectric phase transition shifts to low temperatures and broadens for DIPAC within the opal pores compared to bulk. The thermal hysteresis of the transition increases under opal nanoconfinement. No anomalies of the permittivity relevant to the ferroelectric transition are observed for DIPAC within the MCM-41 molecular sieves likely due to formation of the amorphous phase.

A Definition of the Magnetic Transition Temperature Using Valence Bond Theory.

PubMed

Jornet-Somoza, Joaquim; Deumal, Mercè; Borge, Juan; Robb, Michael A

2018-03-01

Macroscopic magnetic properties are analyzed using Valence Bond theory. Commonly the critical temperature T C for magnetic systems is associated with a maximum in the energy-based heat capacity C p (T). Here a more broadly applicable definition of the magnetic transition temperature T C is described using the spin moment expectation value (i.e., applying the spin exchange density operator) instead of energy. Namely, the magnetic capacity C s (T) reflects variation in the spin multiplicity as a function of temperature, which is shown to be related to ∂[χT(T)]/∂T. Magnetic capacity C s (T) depends on long-range spin interactions that are not relevant in the energy-based heat capacity C p (T). Differences between C s (T) and C p (T) are shown to be due to spin order/disorder within the crystal that can be monitored via a Valence Bond analysis of the corresponding magnetic wave function. Indeed the concept of the Boltzmann spin-alignment order is used to provide information about the spin correlation between magnetic units. As a final illustration, the critical temperature is derived from the magnetic capacity for several molecular magnets presenting different magnetic topologies that have been experimentally studied. A systematic shift between the transition temperatures associated with C s (T) and C p (T) is observed. It is demonstrated that this shift can be attributed to the loss of long-range spin correlation. This suggests that the magnetic capacity C s (T) can be used as a predictive tool for the magnetic topology and thus for the synthetic chemists.

Non-equilibrium phase transitions in a liquid crystal

NASA Astrophysics Data System (ADS)

Dan, K.; Roy, M.; Datta, A.

2015-09-01

The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min-1, consistent with a glass transition, a clear peak for β ≤ 5 K min-1 and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the anisotropy, goes to zero from nematic to isotropic phase. To a point below the transition temperature, the order parameter is constant but decreases linearly with increase in temperature below that indicating the dependence of nematic ordering on the initial temperature during heating consistent with the non-equilibrium nature of nematic-isotropic phase transition.

Melting, glass transition, and apparent heat capacity of α-D-glucose by thermal analysis.

PubMed

Magoń, A; Pyda, M

2011-11-29

The thermal behaviors of α-D-glucose in the melting and glass transition regions were examined utilizing the calorimetric methods of standard differential scanning calorimetry (DSC), standard temperature-modulated differential scanning calorimetry (TMDSC), quasi-isothermal temperature-modulated differential scanning calorimetry (quasi-TMDSC), and thermogravimetric analysis (TGA). The quantitative thermal analyses of experimental data of crystalline and amorphous α-D-glucose were performed based on heat capacities. The total, apparent and reversingheat capacities, and phase transitions were evaluated on heating and cooling. The melting temperature (T(m)) of a crystalline carbohydrate such as α-D-glucose, shows a heating rate dependence, with the melting peak shifted to lower temperature for a lower heating rate, and with superheating of around 25K. The superheating of crystalline α-D-glucose is observed as shifting the melting peak for higher heating rates, above the equilibrium melting temperature due to of the slow melting process. The equilibrium melting temperature and heat of fusion of crystalline α-D-glucose were estimated. Changes of reversing heat capacity evaluated by TMDSC at glass transition (T(g)) of amorphous and melting process at T(m) of fully crystalline α-D-glucose are similar. In both, the amorphous and crystalline phases, the same origin of heat capacity changes, in the T(g) and T(m) area, are attributable to molecular rotational motion. Degradation occurs simultaneously with the melting process of the crystalline phase. The stability of crystalline α-D-glucose was examined by TGA and TMDSC in the melting region, with the degradation shown to be resulting from changes of mass with temperature and time. The experimental heat capacities of fully crystalline and amorphous α-D-glucose were analyzed in reference to the solid, vibrational, and liquid heat capacities, which were approximated based on the ATHAS scheme and Data Bank. Copyright © 2011 Elsevier Ltd. All rights reserved.

Measurement of Nanomolar Dissociation Constants by Titration Calorimetry and Thermal Shift Assay – Radicicol Binding to Hsp90 and Ethoxzolamide Binding to CAII

PubMed Central

Zubrienė, Asta; Matulienė, Jurgita; Baranauskienė, Lina; Jachno, Jelena; Torresan, Jolanta; Michailovienė, Vilma; Cimmperman, Piotras; Matulis, Daumantas

2009-01-01

The analysis of tight protein-ligand binding reactions by isothermal titration calorimetry (ITC) and thermal shift assay (TSA) is presented. The binding of radicicol to the N-terminal domain of human heat shock protein 90 (Hsp90αN) and the binding of ethoxzolamide to human carbonic anhydrase (hCAII) were too strong to be measured accurately by direct ITC titration and therefore were measured by displacement ITC and by observing the temperature-denaturation transitions of ligand-free and ligand-bound protein. Stabilization of both proteins by their ligands was profound, increasing the melting temperature by more than 10 ºC, depending on ligand concentration. Analysis of the melting temperature dependence on the protein and ligand concentrations yielded dissociation constants equal to 1 nM and 2 nM for Hsp90αN-radicicol and hCAII-ethoxzolamide, respectively. The ligand-free and ligand-bound protein fractions melt separately, and two melting transitions are observed. This phenomenon is especially pronounced when the ligand concentration is equal to about half the protein concentration. The analysis compares ITC and TSA data, accounts for two transitions and yields the ligand binding constant and the parameters of protein stability, including the Gibbs free energy and the enthalpy of unfolding. PMID:19582223

Magnetic phase transition in Heisenberg antiferromagnetic films with easy-axis single-ion anisotropy

NASA Astrophysics Data System (ADS)

Pan, Kok-Kwei

2012-03-01

The staggered susceptibility of spin-1 and spin-3/2 Heisenberg antiferromagnet with easy-axis single-ion anisotropy on the cubic lattice films consisting of n=2, 3, 4, 5 and 6 interacting square lattice layers is studied by high-temperature series expansions. Sixth order series in J/kBT have been obtained for free-surface boundary conditions. The dependence of the Néel temperature on film thickness n and easy-axis anisotropy D has been investigated. The shifts of the Néel temperature from the bulk value can be described by a power law n with a shift exponent λ, where λ is the inverse of the bulk correlation length exponent. The effect of easy-axis single-ion anisotropy on shift exponent of antiferromagnetic films has been studied. A comparison is made with related works. The results obtained are qualitatively consistent with the predictions of finite-size scaling theory.

Effects of 946-nm thermal shift and broadening on Nd3+:YAG laser performance

NASA Astrophysics Data System (ADS)

Seyed Ebrahim, Pourmand; Ghasem, Rezaei

2015-12-01

Spectroscopic properties of flashlamp pumped Nd3+:YAG laser are studied as a function of temperature in a range from -30 °C to 60 °C. The spectral width and shift of quasi three-level 946.0-nm inter-Stark emission within the respective intermanifold transitions of 4F3/2 → 4I9/2 are investigated. The 946.0-nm line shifts toward the shorter wavelength and broadens. In addition, the threshold power and slope efficiency of the 946.0-nm laser line are quantified with temperature. The lower the temperature, the lower the threshold power is and the higher the slope efficiency of the 946.0-nm laser line is, thus the higher the laser output is. This phenomenon is attributed to the ion-phonon interaction and the thermal population in the ground state. Project supported by Estahban Branch, Islamic Azad University.

Investigation of reduced (Srx,Ba1-x)Nb 2O6 as a ferroelectric-based thermoelectric

NASA Astrophysics Data System (ADS)

Bock, Jonathan A.

A comprehensive study of a novel type of thermoelectric - a heavily doped material from a ferroelectric base composition - is presented. Due to the low-lying optic modes and scattering of phonons at domain walls, ferroelectrics make interesting candidates for thermoelectrics. The example of (Srx,Ba1-x)Nb2O6-delta (SBN) is explored in detail due to a report of an impressive thermoelectric figure of merit in single crystals. The goal of this research is to understand the source of the large figure of merit in SBN. In attempts to do this, the electron transport mechanism, the coupling between electron transport and ferroelectricity, the phase equilibria, and the single crystalline thermoelectric properties were investigated under various reduction conditions. It was found that the electron transport properties of a normal ferroelectric SBN can be well explained by activation of electrons into the conduction band from a localized impurity band. SBN can be shifted between a normal and relaxor ferroelectric by changing the Sr:Ba ratio. This property of SBN was utilized to study the effect of relaxor ferroelectricity on electron transport. Within the relaxor ferroelectric regime, a change in the activation energy for electronic conduction and an abnormal temperature dependence of the Seebeck coefficient were found. These properties are attributed to Anderson localization caused by the relaxor ferroelectricity. This is not thought to be the cause of the large thermoelectric figure of merit. The electron transport-ferroelectric coupling was also studied in oxygen deficient (Bax,Sr1-x)TiO3-delta (BST). A metallic-like to nonmetallic transition occurs at the ferroelectric transition, and the temperature of the metallic-like to nonmetallic transition can be shifted via Sr doping. The temperature shift on Sr doping is equivalent to the shift in the paraelectric ferroelectric transition temperature in unreduced samples, showing that the ferroelectric transition is the cause of the metallic-like to nonmetallic transition. These results show that the thermoelectric properties found in SBN upon reduction are due to a change from (Srx,Ba1-x)Nb2O6-delta toward (Srx,Ba1-x)1.2Nb2O6-delta and the resulting carrier concentration associated with the additional Sr2+ and Ba2+ cations on the A-site. Relaxor ferroelectricity perturbs the electron transport, but is not a cause of enhanced thermoelectric properties. This points toward A-site doped tungsten bronze materials in general as interesting thermoelectric materials. Future work revolving around decreasing the octahedral tilt angle, increasing the d-orbital overlap, and determining the necessity of ferroelectric-thermoelectric coupling in relation to thermal conductivity could result in further optimization within this new interesting family of thermoelectric oxides. (Abstract shortened by ProQuest.).

Topological Phase Transitions in Zinc-Blende Semimetals Driven Exclusively by Electronic Temperature

NASA Astrophysics Data System (ADS)

Trushin, Egor; Görling, Andreas

2018-04-01

We show that electronic phase transitions in zinc-blende semimetals with quadratic band touching (QBT) at the center of the Brillouin zone, like GaBi, InBi, or HgTe, can occur exclusively due to a change of the electronic temperature without the need to involve structural transformations or electron-phonon coupling. The commonly used Kohn-Sham density-functional methods based on local and semilocal density functionals employing the local density approximation (LDA) or generalized gradient approximations (GGAs), however, are not capable of describing such phenomena because they lack an intrinsic temperature dependence and account for temperature only via the occupation of bands, which essentially leads only to a shift of the Fermi level without changing the shape or topology of bands. Kohn-Sham methods using the exact temperature-dependent exchange potential, not to be confused with the Hartree-Fock exchange potential, on the other hand, describe such phase transitions. A simple modeling of correlation effects can be achieved by screening of the exchange. In the considered zinc-blende compounds the QBT is unstable at low temperatures and a transition to electronic states without QBT takes place. In the case of HgTe and GaBi Weyl points of type I and type II, respectively, emerge during the transitions. This demonstrates that Kohn-Sham methods can describe such topological phase transitions provided they are based on functionals more accurate than those within the LDA or GGA. Moreover, the electronic temperature is identified as a handle to tune topological materials.

Thermal stress modification in regenerated fiber Bragg grating via manipulation of glass transition temperature based on CO₂-laser annealing.

PubMed

Lai, Man-Hong; Lim, Kok-Sing; Gunawardena, Dinusha S; Yang, Hang-Zhou; Chong, Wu-Yi; Ahmad, Harith

2015-03-01

In this work, we have demonstrated thermal stress relaxation in regenerated fiber Bragg gratings (RFBGs) by using direct CO₂-laser annealing technique. After the isothermal annealing and slow cooling process, the Bragg wavelength of the RFBG has been red-shifted. This modification is reversible by re-annealing and rapid cooling. It is repeatable with different cooling process in the subsequent annealing treatments. This phenomenon can be attributed to the thermal stress modification in the fiber core by means of manipulation of glass transition temperature with different cooling rates. This finding in this investigation is important for accurate temperature measurement of RFBG in dynamic environment.

Cooling rate dependence of the glass transition at free surfaces

NASA Astrophysics Data System (ADS)

Streit-Nierobisch, S.; Gutt, C.; Paulus, M.; Tolan, M.

2008-01-01

In situ x-ray reflectivity measurements are used to determine the cooling rate dependent freezing of capillary waves on the oligomer poly(propylene glycol). Only above the glass transition temperature TG can the surface roughness σ be described by the capillary wave model for simple liquids, whereas the surface fluctuations are frozen-in at temperatures below TG . As the state of a glass forming liquid strongly depends on its thermal history, this effect occurs for fast cooling rates already at a higher temperature than for slow cooling. For the fastest cooling rates a very large shift of TG up to 240K compared to the bulk value of 196K was observed.

Isothermal lipid phase transitions.

PubMed

Cevc, G

1991-03-01

In liotropic lipid systems phase transitions can be induced isothermally by changing the solvent concentration or composition; alternatively, lipid composition can be modified by (bio)chemical means. The probability for isothermal phase transitions increases with the decreasing transition entropy; it is proportional to the magnitude of the transition temperature shift caused by transformation-inducing system variation. Manipulations causing large thermodynamic effects, such as lipid (de)hydration, binding of protons or divalent ions and macromolecular adsorption, but also close bilayer approach are, therefore, likely to cause structural lipid change(s) at a constant temperature. Net lipid charges enhance the membrane susceptibility to salt-induced isothermal phase transitions; a large proportion of this effect is due to the bilayer dehydration, however, rather than being a consequence of the decreased Coulombic electrostatic interactions. Membrane propensity for isothermal phase transitions, consequently, always increases with the hydrophilicity of the lipid heads, as well as with the desaturation and shortening of the lipid chains. Upon a phase change at a constant temperature, some of the interfacially bound solutes (e.g. protons or calcium) are released in the solution. Membrane permeability and fusogenicity simultaneously increase. In mixed systems, isothermal phase transitions, moreover, may result in lateral phase separation. All this opens up ways for the involvement of isothermal phase transitions in the regulation of biological processes.

Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

2016-01-01

Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.

Ligand Binding Analysis and Screening by Chemical Denaturation Shift

PubMed Central

Sch n, Arne; Brown, Richard K.; Hutchins, Burleigh M.; Freire, Ernesto

2013-01-01

The identification of small molecule ligands is an important first step in drug development, especially drugs that target proteins with no intrinsic activity. Towards this goal, it is important to have access to technologies that are able to measure binding affinities for a large number of potential ligands in a fast and accurate way. Since ligand binding stabilizes the protein structure in a manner dependent on concentration and binding affinity, the magnitude of the protein stabilization effect elicited by binding can be used to identify and characterize ligands. For example, the shift in protein denaturation temperature (Tm shift) has become a popular approach to identify potential ligands. However, Tm shifts cannot be readily transformed into binding affinities and the ligand rank order obtained at denaturation temperatures (60°C or higher) does not necessarily coincide with the rank order at physiological temperature. An alternative approach is the use of chemical denaturation, which can be implemented at any temperature. Chemical denaturation shifts allow accurate determination of binding affinities with a surprisingly wide dynamic range (high micromolar to sub nanomolar) and in situations in which binding changes the cooperativity of the unfolding transition. In this paper we develop the basic analytical equations and provide several experimental examples. PMID:23994566

Ligand binding analysis and screening by chemical denaturation shift.

PubMed

Schön, Arne; Brown, Richard K; Hutchins, Burleigh M; Freire, Ernesto

2013-12-01

The identification of small molecule ligands is an important first step in drug development, especially drugs that target proteins with no intrinsic activity. Toward this goal, it is important to have access to technologies that are able to measure binding affinities for a large number of potential ligands in a fast and accurate way. Because ligand binding stabilizes the protein structure in a manner dependent on concentration and binding affinity, the magnitude of the protein stabilization effect elicited by binding can be used to identify and characterize ligands. For example, the shift in protein denaturation temperature (Tm shift) has become a popular approach to identify potential ligands. However, Tm shifts cannot be readily transformed into binding affinities, and the ligand rank order obtained at denaturation temperatures (≥60°C) does not necessarily coincide with the rank order at physiological temperature. An alternative approach is the use of chemical denaturation, which can be implemented at any temperature. Chemical denaturation shifts allow accurate determination of binding affinities with a surprisingly wide dynamic range (high micromolar to sub nanomolar) and in situations where binding changes the cooperativity of the unfolding transition. In this article, we develop the basic analytical equations and provide several experimental examples. Copyright © 2013 Elsevier Inc. All rights reserved.

Relaxor-ferroelectric crossover in (B i1 /2K1 /2)Ti O3 : Origin of the spontaneous phase transition and the effect of an applied external field

NASA Astrophysics Data System (ADS)

Hagiwara, Manabu; Ehara, Yoshitaka; Novak, Nikola; Khansur, Neamul H.; Ayrikyan, Azatuhi; Webber, Kyle G.; Fujihara, Shinobu

2017-07-01

The temperature evolution of polar order in an A -site complex perovskite (B i1 /2K1 /2)Ti O3 (BKT) has been investigated by measurements of dielectric permittivity, depolarization current, and stress-stain curves at elevated temperatures. Upon cooling from high temperatures, BKT first enters a relaxor state and then spontaneously transforms into a ferroelectric state. The analyses of temperature and frequency dependence of permittivity have revealed that polar nanoregions of the relaxor phase appear at temperatures higher than 560°C, and also that their freezing at 296°C triggers the spontaneous relaxor-ferroelectric transition. We discuss the key factors determining the development of long-range polar order in A -site complex perovskites through a comparison with the relaxor (B i1 /2N a1 /2)Ti O3 . We also show that application of biasing electric fields and compressive stresses to BKT favors its ferroelectric phase, resulting in a significant shift of the relaxor-ferroelectric transition temperature towards higher temperatures. Based on the obtained results, electric field-temperature and stress-temperature phase diagrams are firstly determined for BKT.

Effect of the glass transition temperature on alpha-amylase activity in a starch matrix.

PubMed

Chaudhary, Vinita; Panyoyai, Naksit; Small, Darryl M; Shanks, Robert A; Kasapis, Stefan

2017-02-10

This study optimises a protocol for the estimation of α-amylase activity in a condensed starch matrix in the vicinity of the glass transition region. Enzymatic activity on the vitrified starch system was compared with that of a reference substrate, maltodextrin. The activity was assayed as the rate of release of reducing sugar using a dinitrosalicylic acid procedure. The condensed carbohydrate matrices served the dual purpose of acting as a substrate as well as producing a pronounced effect on the ability to enzymatic hydrolysis. Activation energies were estimated throughout the glass transition region of condensed carbohydrate preparations based on the concept of the spectroscopic shift factor. Results were used to demonstrate a considerable moderation by the mechanical glass transition temperature, beyond the expected linear effect of the temperature dependence, on the reaction rate of starch hydrolysis by α-amylase in comparison with the low-molecular weight chain of maltodextrin. Copyright © 2016. Published by Elsevier Ltd.

Incommensurability and phase transitions in two-dimensional X Y models with Dzyaloshinskii-Moriya interactions

NASA Astrophysics Data System (ADS)

Liu, Huiping; Plascak, J. A.; Landau, D. P.

2018-05-01

The Dzyaloshinskii-Moriya (DM) interaction in magnetic models is the result of a combination of superexchange and spin-orbital coupling, and it can give rise to rich phase-transition behavior. In this paper, we study ferromagnetic X Y models with the DM interaction on two-dimensional L ×L square lattices using a hybrid Monte Carlo algorithm. To match the incommensurability between the resultant spin structure and the lattice due to the DM interaction, a fluctuating boundary condition is adopted. We also define a different kind of order parameter and use finite-size scaling to study the critical properties of this system. We find that a Kosterlitz-Thouless-like phase transition appears in this system and that the phase-transition temperature shifts toward higher temperature with increasing DM interaction strength.

Dynamics of the α-β phase transitions in quartz and cristobalite as observed by in-situ high temperature 29Si and 17O NMR

NASA Astrophysics Data System (ADS)

Spearing, Dane R.; Farnan, Ian; Stebbins, Jonathan F.

1992-12-01

Relaxation times (T1) and lineshapes were examined as a function of temperature through the α-β transition for 29Si in a single crystal of amethyst, and for 29Si and 17O in cristobalite powders. For single crystal quartz, the three 29Si peaks observed at room temperature, representing each of the three differently oriented SiO4 tetrahedra in the unit cell, coalesce with increasing temperature such that at the α-β transition only one peak is observed. 29Si T1's decrease with increasing temperature up to the transition, above which they remain constant. Although these results are not uniquely interpretable, hopping between the Dauphiné twin related configurations, α1 and α2, may be the fluctuations responsible for both effects. This exchange becomes observable up to 150° C below the transition, and persists above the transition, resulting in β-quartz being a time and space average of α1 and α2. 29Si T1's for isotopically enriched powdered cristobalite show much the same behavior as observed for quartz. In addition, 17O T1's decrease slowly up to the α-β transition at which point there is an abrupt 1.5 order of magnitude drop. Fitting of static powder 17O spectra for cristobalite gives an asymmetry parameter (η) of 0.125 at room T, which decreases to <0.040 at the transition temperature. The electric field gradient (EFG) and chemical shift anisotropy (CSA), however, remain the same, suggesting that the decrease in η is caused by a dynamical rotation of the tetrahedra below the transition. Thus, the mechanisms of the α-β phase transitions in quartz and cristobalite are similar: there appears to be some fluctuation of the tetrahedra between twin-related orientations below the transition temperature, and the β-phase is characterized by a dynamical average of the twin domains on a unit cell scale.

Phase Transition in all-trans-β-Carotene Crystal: Temperature-Dependent Raman Spectra.

PubMed

da Silva, Kleber J R; Paschoal, Waldomiro; Belo, Ezequiel A; Moreira, Sanclayton G C

2015-09-24

In this study, we studied the stability of an all-trans-β-carotene single crystal using Raman spectroscopy with line excitation at 632.8 nm, in the temperature range 20–300 K. The Raman spectra exhibit clear modifications in the spectral range of the lattice and internal vibrational modes. The temperature dependence of the most intense vibrational modes ν1 (1511 cm(–1)) and ν2 (1156 cm(–1)) that are related to the C═C and C—C stretching vibrations of the polyene chain, respectively, shows an upward shift on the Raman modes. This behavior is similar to that stated in the theoretical work of Wei-Long Liu et al. We conclude that the all-trans-β-carotene crystal undergoes a temperature-induced phase transition at approximately 219 K. This transition is interpreted as a rotation experienced by β-ring groups at each end of the all-trans-β-carotene molecule around the dihedral angle. At low temperatures, the new molecular configuration affects the sliding plane of the space group C2h(5)(P2(1)/n), and the phase transition leads to an unchanged monoclinic structure; however, the original space group is possibly lowered to the space group C2. In the temperature range 200–220 K, the spectral ratio (S) of the integrated intensities of the spectral modes around the symmetric and asymmetric stretching wavenumbers of the methyl group (CH3) changes as a function of temperature in agreement with the phase transition. Furthermore, according to phase transition undergone by the all-trans-β-carotene, the thermal results obtained by differential scanning calorimetry show an exothermic process that occurs near the transition temperature assigned by the Raman spectra.

Dimensionality tuning of the electronic structure in Fe3Ga4 magnetic materials

NASA Astrophysics Data System (ADS)

Moura, K. O.; de Oliveira, L. A. S.; Rosa, P. F. S.; Jesus, C. B. R.; Saleta, M. E.; Granado, E.; Béron, F.; Pagliuso, P. G.; Pirota, K. R.

2016-06-01

This work reports on the dimensionality effects on the magnetic behavior of Fe3Ga4 compounds by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. Our results show that reducing the Fe3Ga4 dimensionality, via nanowire shape, intriguingly modifies its electronic structure. In particular, the bulk system exhibits two transitions, a ferromagnetic (FM) transition temperature at T1 = 50 K and an antiferromagnetic (AFM) one at T2 = 390 K. On the other hand, nanowires shift these transition temperatures, towards higher and lower temperature for T1 and T2, respectively. Moreover, the dimensionality reduction seems to also modify the microscopic nature of the T1 transition. Instead of a FM to AFM transition, as observed in the 3D system, a transition from FM to ferrimagnetic (FERRI) or to coexistence of FM and AFM phases is found for the nanowires. Our results allowed us to propose the magnetic field-temperature phase diagram for Fe3Ga4 in both bulk and nanostructured forms. The interesting microscopic tuning of the magnetic interactions induced by dimensionality in Fe3Ga4 opens a new route to optimize the use of such materials in nanostructured devices.

Dimensionality tuning of the electronic structure in Fe3Ga4 magnetic materials

PubMed Central

Moura, K. O.; de Oliveira, L. A. S.; Rosa, P. F. S.; Jesus, C. B. R.; Saleta, M. E.; Granado, E.; Béron, F.; Pagliuso, P. G.; Pirota, K. R.

2016-01-01

This work reports on the dimensionality effects on the magnetic behavior of Fe3Ga4 compounds by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. Our results show that reducing the Fe3Ga4 dimensionality, via nanowire shape, intriguingly modifies its electronic structure. In particular, the bulk system exhibits two transitions, a ferromagnetic (FM) transition temperature at T1 = 50 K and an antiferromagnetic (AFM) one at T2 = 390 K. On the other hand, nanowires shift these transition temperatures, towards higher and lower temperature for T1 and T2, respectively. Moreover, the dimensionality reduction seems to also modify the microscopic nature of the T1 transition. Instead of a FM to AFM transition, as observed in the 3D system, a transition from FM to ferrimagnetic (FERRI) or to coexistence of FM and AFM phases is found for the nanowires. Our results allowed us to propose the magnetic field-temperature phase diagram for Fe3Ga4 in both bulk and nanostructured forms. The interesting microscopic tuning of the magnetic interactions induced by dimensionality in Fe3Ga4 opens a new route to optimize the use of such materials in nanostructured devices. PMID:27329581

Glass dynamics and anomalous aging in a family of ionic liquids above the glass transition temperature.

PubMed

Shamim, Nabila; McKenna, Gregory B

2010-12-09

The present paper reports the results of a systematic rheological study of the dynamic moduli of 1-butyl 3-methylimidazolium tetrafluoroborate ([Bmim][BF(4)]), 1-butyl 3-methylimidazolium hexafluorophosphate ([Bmim][PF(6)]), and 1-ethyl 3-methylimidazolium ethylsulfate ([Emim][EtSO(4)]) in the vicinity of their respective glass transition temperatures. The results show an anomalous aging in that the dynamic and the low shear rate viscosities decrease with time at temperatures near to, but above, the glass transition temperature, and this is described. The samples that are aged into equilibrium obey the time-temperature superposition principle, and the shift factors and the viscosities follow classic super-Arrhenius behaviors with intermediate fragility values as the glass transition is approached. Similar experiments using a high-purity [Bmim][BF(4)] show that using a higher purity of the ionic liquid, while changing absolute values of the properties, does not eliminate the anomalous aging response. The data are also analyzed in a fashion similar to that used for polymer melts, and we find that these ionic liquids do not follow, for example, the Cox-Merz relationship between the steady shear viscosity and the dynamic viscosity.

Suppression of the ferromagnetic order in the Heusler alloy Ni{sub 50}Mn{sub 35}In{sub 15} by hydrostatic pressure

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

Salazar Mejía, C., E-mail: Catalina.Salazar@cpfs.mpg.de; Mydeen, K.; Naumov, P.

2016-06-27

We report on the effect of hydrostatic pressure on the magnetic and structural properties of the shape-memory Heusler alloy Ni{sub 50}Mn{sub 35}In{sub 15}. Magnetization and x-ray diffraction experiments were performed at hydrostatic pressures up to 5 GPa using diamond anvil cells. Pressure stabilizes the martensitic phase, shifting the martensitic transition to higher temperatures, and suppresses the ferromagnetic austenitic phase. Above 3 GPa, where the martensitic-transition temperature approaches the Curie temperature in the austenite, the magnetization shows no longer indications of ferromagnetic ordering. We further find an extended temperature region with a mixture of martensite and austenite phases, which directly relates to themore » magnetic properties.« less

Ultrasonic and dielectric studies of polymer PDMS composites with ZnO and onion-like carbons nanoinclusions

NASA Astrophysics Data System (ADS)

Samulionis, V.; Macutkevic, J.; Banys, J.; Belovickis, J.; Shenderova, O.

2015-07-01

The ultrasonic and dielectric temperature investigations were performed in polydi- methylsiloxane (PDMS) with zinc oxide (ZnO) and onion-like carbon (OLC) nanocomposites. In the glass transition region, the ultrasonic velocity dispersion and large ultrasonic attenuation maxima were observed. The positions of ultrasonic attenuation peaks were slightly shifted to higher temperatures after doping PDMS with OLC and ZnO nanoparticles. The ultrasonic relaxation was compared to that of dielectric and such behaviour was described by Vogel- Fulcher law. The upshift of the glass transition temperature with addition of nanoparticles was confirmed by both methods. The additional increase of ultrasonic attenuation in composites doped with OLC and ZnO was observed at room temperature and such behaviour we attributed to ultrasound-nanofiller interaction in polymer matrix.

Competition for hydrogen-bond formation in the helix-coil transition and protein folding

NASA Astrophysics Data System (ADS)

Badasyan, A. V.; Tonoyan, Sh. A.; Mamasakhlisov, Y. Sh.; Giacometti, Achille; Benight, A. S.; Morozov, V. F.

2011-05-01

The problem of the helix-coil transition of biopolymers in explicit solvents, such as water, with the ability for hydrogen bonding with a solvent is addressed analytically using a suitably modified version of the Generalized Model of Polypeptide Chains. Besides the regular helix-coil transition, an additional coil-helix or reentrant transition is also found at lower temperatures. The reentrant transition arises due to competition between polymer-polymer and polymer-water hydrogen bonds. The balance between the two types of hydrogen bonding can be shifted to either direction through changes not only in temperature, but also by pressure, mechanical force, osmotic stress, or other external influences. Both polypeptides and polynucleotides are considered within a unified formalism. Our approach provides an explanation of the experimental difficulty of observing the reentrant transition with pressure and underscores the advantage of pulling experiments for studies of DNA. Results are discussed and compared with those reported in a number of recent publications with which a significant level of agreement is obtained.

Verwey transition in a magnetite ultrathin film by resonant x-ray scattering

NASA Astrophysics Data System (ADS)

Grenier, S.; Bailly, A.; Ramos, A. Y.; De Santis, M.; Joly, Y.; Lorenzo, J. E.; Garaudée, S.; Frericks, M.; Arnaud, S.; Blanc, N.; Boudet, N.

2018-03-01

We report a detailed study of the Verwey transition in a magnetite ultrathin film (UTF) grown on Ag(001) using resonant x-ray scattering (RXS). RXS was measured at the Fe K-edge on the crystal truncation rod of the substrate, increasing the sensitivity to the film thanks to the cross-interference, thereby obtaining an x-ray phase-shift reference and a polarization analyzer. The spectra were interpreted with ad hoc calculations based on density functional theory within a surface-scattering formalism. We observed that the UTF has a relatively sharp transition temperature TV=120 K and is remarkably close to the bulk temperature for such thickness. We determined the specific Fe stacking at the interface with the substrate below TV, and detected a spectroscopic signal evolving with temperature from TV up to at least TV+80 K, hinting that the RT crystallographic structure does not set at TV in the UTF.

High-sensitivity cryogenic temperature sensors using pressurized fiber Bragg gratings

NASA Technical Reports Server (NTRS)

Wu, Meng-Chou; DeHaven, Stanton L.

2006-01-01

Cryogenic temperature sensing was studied using a pressurized fiber Bragg grating (PFBG). The PFBG was obtained by simply applying a small diametric load to a regular fiber Bragg grating (FBG), which was coated with polyimide of a thickness of 11 micrometers. The Bragg wavelength of the PFBG was measured at temperatures from 295 to 4.2 K. A pressure-induced transition occurred at 200 K during the cooling cycle. As a result the temperature sensitivity of the PFBG was found to be nonlinear but reach 24 pm/K below 200 K, more than three times the regular FBG. For the temperature change from 80 K to 10 K, the PFBG has a total Bragg wavelength shift of about 470 pm, 10 times more than the regular FBG. From room temperature to liquid helium temperature the PFBG gives a total wavelength shift of 3.78 nm, compared to the FBG of 1.51 nm. The effect of the coating thickness on the temperature sensitivity of the gratings is also discussed.

High-sensitivity Cryogenic Temperature Sensors using Pressurized Fiber Bragg Gratings

NASA Technical Reports Server (NTRS)

Wu, Meng-Chou; DeHaven, Stanton L.

2006-01-01

Cryogenic temperature sensing was studied using a pressurized fiber Bragg grating (PFBG). The PFBG was obtained by simply applying a small diametric load to a regular fiber Bragg grating (FBG), which was coated with polyimide of a thickness of 11 micrometers. The Bragg wavelength of the PFBG was measured at temperatures from 295 to 4.2 K. A pressure-induced transition occurred at 200 K during the cooling cycle. As a result the temperature sensitivity of the PFBG was found to be nonlinear but reach 24 pm/K below 200 K, more than three times the regular FBG. For the temperature change from 80 K to 10 K, the PFBG has a total Bragg wavelength shift of about 470 pm, 10 times more than the regular FBG. From room temperature to liquid helium temperature the PFBG gives a total wavelength shift of 3.78 nm, compared to the FBG of 1.51 nm. The effect of the coating thickness on the temperature sensitivity of the gratings is also discussed.

Giant room-temperature electrostrictive coefficients in lead-free relaxor ferroelectric ceramics by compositional tuning

NASA Astrophysics Data System (ADS)

Ullah, Aman; Gul, Hafiza Bushra; Ullah, Amir; Sheeraz, Muhammad; Bae, Jong-Seong; Jo, Wook; Ahn, Chang Won; Kim, Ill Won; Kim, Tae Heon

2018-01-01

A thermotropic phase boundary between non-ergodic and ergodic relaxor phases is tuned in lead-free Bi1/2Na1/2TiO3-based ceramics through a structural transition driven by compositional modification (usually named as "morphotropic approach"). The substitution of Bi(Ni1/2Ti1/2)O3 for Bi1/2(Na0.78K0.22)1/2TiO3 induces a transition from tetragonal to "metrically" cubic phase and thereby, the ergodic relaxor ferroelectric phase becomes predominant at room temperature. A shift of the transition temperature (denoted as TF-R) in the non-ergodic-to-ergodic phase transition is corroborated via temperature-dependent dielectric permittivity and loss measurements. By monitoring the chemical composition dependence of polarization-electric field and strain-electric field hysteresis loops, it is possible to track the critical concentration of Bi(Ni1/2Ti1/2)O3 where the (1 - x)Bi0.5(Na0.78K0.22)0.5TiO3-xBi(Ni0.5Ti0.5)O3 ceramic undergoes the phase transition around room temperature. At the Bi(Ni0.5Ti0.5)O3 content of x = 0.050, the highest room-temperature electrostrictive coefficient of 0.030 m4/C2 is achieved with no hysteretic characteristic, which can foster the realization of actual electrostrictive devices with high operational efficiency at room temperature.

Frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory

PubMed Central

Fisher, Kent A. G.; England, Duncan G.; MacLean, Jean-Philippe W.; Bustard, Philip J.; Resch, Kevin J.; Sussman, Benjamin J.

2016-01-01

The spectral manipulation of photons is essential for linking components in a quantum network. Large frequency shifts are needed for conversion between optical and telecommunication frequencies, while smaller shifts are useful for frequency-multiplexing quantum systems, in the same way that wavelength division multiplexing is used in classical communications. Here we demonstrate frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory. Heralded 723.5 nm photons, with 4.1 nm bandwidth, are stored as optical phonons in the diamond via a Raman transition. Upon retrieval from the diamond memory, the spectral shape of the photons is determined by a tunable read pulse through the reverse Raman transition. We report central frequency tunability over 4.2 times the input bandwidth, and bandwidth modulation between 0.5 and 1.9 times the input bandwidth. Our results demonstrate the potential for diamond, and Raman memories in general, as an integrated platform for photon storage and spectral conversion. PMID:27045988

Frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory.

PubMed

Fisher, Kent A G; England, Duncan G; MacLean, Jean-Philippe W; Bustard, Philip J; Resch, Kevin J; Sussman, Benjamin J

2016-04-05

The spectral manipulation of photons is essential for linking components in a quantum network. Large frequency shifts are needed for conversion between optical and telecommunication frequencies, while smaller shifts are useful for frequency-multiplexing quantum systems, in the same way that wavelength division multiplexing is used in classical communications. Here we demonstrate frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory. Heralded 723.5 nm photons, with 4.1 nm bandwidth, are stored as optical phonons in the diamond via a Raman transition. Upon retrieval from the diamond memory, the spectral shape of the photons is determined by a tunable read pulse through the reverse Raman transition. We report central frequency tunability over 4.2 times the input bandwidth, and bandwidth modulation between 0.5 and 1.9 times the input bandwidth. Our results demonstrate the potential for diamond, and Raman memories in general, as an integrated platform for photon storage and spectral conversion.

Temperature-induced Lifshitz transition in WTe 2

DOE PAGES

Wu, Yun; Jo, Na Hyun; Ochi, Masayuki; ...

2015-10-12

In this study, we use ultrahigh resolution, tunable, vacuum ultraviolet laser-based, angle-resolved photoemission spectroscopy (ARPES), temperature- and field-dependent resistivity, and thermoelectric power (TEP) measurements to study the electronic properties of WTe 2, a compound that manifests exceptionally large, temperature-dependent magnetoresistance. The Fermi surface consists of two pairs of electron and two pairs of hole pockets along the X–Γ–X direction. Using detailed ARPES temperature scans, we find a rare example of a temperature-induced Lifshitz transition at T≃160 K, associated with the complete disappearance of the hole pockets. Our electronic structure calculations show a clear and substantial shift of the chemical potentialmore » μ(T) due to the semimetal nature of this material driven by modest changes in temperature. This change of Fermi surface topology is also corroborated by the temperature dependence of the TEP that shows a change of slope at T≈175 K and a breakdown of Kohler’s rule in the 70–140 K range. Our results and the mechanisms driving the Lifshitz transition and transport anomalies are relevant to other systems, such as pnictides, 3D Dirac semimetals, and Weyl semimetals.« less

Line shape parameters of PH3 transitions in the Pentad near 4-5 μm: Self-broadened widths, shifts, line mixing and speed dependence

NASA Astrophysics Data System (ADS)

Malathy Devi, V.; Benner, D. Chris; Kleiner, Isabelle; Sams, Robert L.; Fletcher, Leigh N.

2014-08-01

Accurate knowledge of spectroscopic line parameters of PH3 is important for remote sensing of the outer planets, especially Jupiter and Saturn. In a recent study, line positions and intensities for the Pentad bands of PH3 have been reported from analysis of high-resolution, high signal-to noise room-temperature spectra recorded with two Fourier transform spectrometers (2014) [1]. The results presented in this study were obtained during the analysis of positions and intensities, but here we focus on the measurements of spectral line shapes (e.g. widths, shifts, line mixing) for the 2ν4, ν2 + ν4, ν1 and ν3 bands. A multispectrum nonlinear least squares curve fitting technique employing a non-Voigt line shape to include line mixing and speed dependence of the Lorentz width was employed to fit the spectra simultaneously. The least squares fittings were performed on five room-temperature spectra recorded at various PH3 pressures (∼2-50 Torr) with the Bruker IFS-125HR Fourier transform spectrometer (FTS) located at the Pacific Northwest National Laboratory (PNNL), in Richland, Washington. Over 840 Lorentz self-broadened half-width coefficients, 620 self-shift coefficients and 185 speed dependence parameters were measured. Line mixing was detected for transitions in the 2ν4, ν1 and ν3 bands, and their values were quantified for 10 A+A- pairs of transitions via off-diagonal relaxation matrix element formalism. The dependences of the measured half-width coefficients on the J and K rotational quanta of the transitions are discussed. The self-width coefficients for the ν1 and ν3 bands from this study are compared to the self-width coefficients for transitions with the same rotational quanta (J, K) reported for the Dyad (ν2 and ν4) bands. The measurements from present study should be useful for the development of a reliable theoretical modeling of pressure-broadened widths, shifts and line mixing in symmetric top molecules with C3v symmetry in general, and of PH3 in particular.

Line shape parameters of PH 3 transitions in the Pentad near 4–5 μm: Self-broadened widths, shifts, line mixing and speed dependence

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

Malathy Devi, V.; Benner, D. C.; Kleiner, Isabelle

2014-08-01

Accurate knowledge of spectroscopic line parameters of PH 3 is important for remote sensing of the outer planets, especially Jupiter and Saturn. In a recent study, line positions and intensities for the Pentad bands of PH 3 have been reported from analysis of high-resolution, high signal-to noise room-temperature spectra recorded with two Fourier transform spectrometers (2014) [1]. The results presented in this study were obtained during the analysis of positions and intensities, but here we focus on the measurements of spectral line shapes (e.g. widths, shifts, line mixing) for the 2ν 4, ν 2 + ν 4, ν 1 andmore » ν 3 bands. A multispectrum nonlinear least squares curve fitting technique employing a non-Voigt line shape to include line mixing and speed dependence of the Lorentz width was employed to fit the spectra simultaneously. The least squares fittings were performed on five room-temperature spectra recorded at various PH 3 pressures (~2–50 Torr) with the Bruker IFS-125HR Fourier transform spectrometer (FTS) located at the Pacific Northwest National Laboratory (PNNL), in Richland, Washington. Over 840 Lorentz self-broadened half-width coefficients, 620 self-shift coefficients and 185 speed dependence parameters were measured. Line mixing was detected for transitions in the 2ν 4, ν 1 and ν 3 bands, and their values were quantified for 10 A+A- pairs of transitions via off-diagonal relaxation matrix element formalism. The dependences of the measured half-width coefficients on the J and K rotational quanta of the transitions are discussed. The self-width coefficients for the ν 1 and ν 3 bands from this study are compared to the self-width coefficients for transitions with the same rotational quanta (J, K) reported for the Dyad (ν 2 and ν 4) bands. The measurements from present study should be useful for the development of a reliable theoretical modeling of pressure-broadened widths, shifts and line mixing in symmetric top molecules with C 3v symmetry in general, and of PH 3 in particular.« less

Prethermalization and persistent order in the absence of a thermal phase transition

NASA Astrophysics Data System (ADS)

Halimeh, Jad C.; Zauner-Stauber, Valentin; McCulloch, Ian P.; de Vega, Inés; Schollwöck, Ulrich; Kastner, Michael

2017-01-01

We numerically study the dynamics after a parameter quench in the one-dimensional transverse-field Ising model with long-range interactions (∝1 /rα with distance r ), for finite chains and also directly in the thermodynamic limit. In nonequilibrium, i.e., before the system settles into a thermal state, we find a long-lived regime that is characterized by a prethermal value of the magnetization, which in general differs from its thermal value. We find that the ferromagnetic phase is stabilized dynamically: as a function of the quench parameter, the prethermal magnetization shows a transition between a symmetry-broken and a symmetric phase, even for those values of α for which no finite-temperature transition occurs in equilibrium. The dynamical critical point is shifted with respect to the equilibrium one, and the shift is found to depend on α as well as on the quench parameters.

Observable consequences of zero-point energy

NASA Astrophysics Data System (ADS)

Sen, Siddhartha; Gupta, Kumar S.

2017-12-01

Spectral line widths, the Lamb shift and the Casimir effect are generally accepted to be observable consequences of the zero-point electromagnetic (ZPEM) fields. A new class of observable consequences of ZPEM field at the mesoscopic scale were recently proposed and observed. Here, we extend this class of observable effects and predict that mesoscopic water layers should have a high value for its solid-liquid phase transition temperature, as illustrated by water inside a single-walled carbon nanotube (CNT). For this case, our analysis predicts that the phase transition temperature scales inversely with the square of the effective radius available for the water flow within the CNT.

Isotope effect on superconductivity and Raman phonons of Pyrochlore Cd2Re2O7

NASA Astrophysics Data System (ADS)

Razavi, F. S.; Hajialamdari, M.; Reedyk, M.; Kremer, R. K.

2018-06-01

Cd2Re2O7 is the only α-Pyrochlore exhibiting superconductivity with a transition temperature (Tc) of ∼ 1 K. In this study, we present the effect of oxygen isotope (18O) as well as combined 18O and cadmium isotope (116Cd) substitution on the superconductivity and Raman scattering spectrum of Cd2Re2O7. The change of Tc and the energy gap Δ(T) are reported using various techniques including point contact spectroscopy. The shift in Raman phonon frequencies upon isotope substitution will be compared with measurement of the isotope effect on the superconducting transition temperature.

Terahertz dielectric analysis and spin-phonon coupling in multiferroic GeV 4 S 8

DOE PAGES

Warren, Matthew T.; Pokharel, G.; Christianson, A. D.; ...

2017-08-23

We present an investigation of the multiferroic lacunar spinel compound GeV 4S 8 using time-domain terahertz spectroscopy. We find three absorptions which either appear or shift at the antiferromagnetic transition temperature, T N=17K, as S=1 magnetic moments develop on vanadium tetrahedra. Two of these absorptions are coupled to the magnetic state and one only appears below the Néel temperature, and is interpreted as a magnon. We also observe isosbestic points in the dielectric constant in both the temperature and frequency domains. Further, we perform an analysis on the isosbestic features to reveal an interesting collapse into a single curve asmore » a function of both frequency and temperature, behavior which exists throughout the phase transitions. This analysis suggests the importance of spectral changes in the terahertz range which are linear in frequency and temperature.« less

Phononic Crystal Tunable via Ferroelectric Phase Transition

NASA Astrophysics Data System (ADS)

Xu, Chaowei; Cai, Feiyan; Xie, Shuhong; Li, Fei; Sun, Rong; Fu, Xianzhu; Xiong, Rengen; Zhang, Yi; Zheng, Hairong; Li, Jiangyu

2015-09-01

Phononic crystals (PCs) consisting of periodic materials with different acoustic properties have potential applications in functional devices. To realize more smart functions, it is desirable to actively control the properties of PCs on demand, ideally within the same fabricated system. Here, we report a tunable PC made of Ba0.7Sr0.3Ti O3 (BST) ceramics, wherein a 20-K temperature change near room temperature results in a 20% frequency shift in the transmission spectra induced by a ferroelectric phase transition. The tunability phenomenon is attributed to the structure-induced resonant excitation of A0 and A1 Lamb modes that exist intrinsically in the uniform BST plate, while these Lamb modes are sensitive to the elastic properties of the plate and can be modulated by temperature in a BST plate around the Curie temperature. The study finds opportunities for creating tunable PCs and enables smart temperature-tuned devices such as the Lamb wave filter or sensor.

Transition to collapsed tetragonal phase in CaFe 2As 2 single crystals as seen by 57Fe Mössbauer spectroscopy

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

Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan

Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe 2As 2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent atmore » low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe 2As 2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Furthermore, based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.« less

Polymorphism of POPE/cholesterol system: a 2H nuclear magnetic resonance and infrared spectroscopic investigation.

PubMed Central

Paré, C; Lafleur, M

1998-01-01

It is well established that cholesterol induces the formation of a liquid-ordered phase in phosphatidylcholine (PC) bilayers. The goal of this work is to examine the influence of cholesterol on phosphatidylethanolamine polymorphism. The behavior of 1-palmitoyl-2-oleoyl-phosphatidylethanolamine (POPE)/cholesterol mixtures was characterized using infrared and 2H nuclear magnetic resonance (NMR) spectroscopy (using POPE bearing a perdeuterated palmitoyl chain in the latter case). Our results reveal that cholesterol induces the formation of a liquid-ordered phase in POPE membranes, similar to those observed for various PC/cholesterol systems. However, the coexistence region of the gel and the liquid-ordered phases is different from that proposed for PC/cholesterol systems. The results indicate a progressive broadening of the gel-to-fluid phase transition, suggesting the absence of an eutectic. In addition, there is a progressive downshift of the end of the transition for cholesterol content higher than 10 mol %. Cholesterol has an ordering effect on the acyl chains of POPE, but it is less pronounced than for the PC equivalent. This study also shows that the cholesterol effect on the lamellar-to-hexagonal (L(alpha)-H(II)) phase transition is not monotonous. It shifts the transition toward the low temperatures between 0 and 30 mol % cholesterol but shifts it toward the high temperatures when cholesterol content is higher than 30 mol %. The change in conformational order of the lipid acyl chains, as probed by the shift of the symmetric methylene C-H stretching, shows concerted variations. Finally, we show that cholesterol maintains its chain ordering effect in the hexagonal phase. PMID:9533701

Temperature dependence of the helium induced broadening and shift of the Rb D1 and D2 lines

NASA Astrophysics Data System (ADS)

Miller, Wooddy S.; Rice, Christopher A.; Perram, Glen P.

2018-02-01

The rates for collisional broadening and shifting of the Rb D1 (52S1/2 - 52P1/2) and D2 (52S1/2 - 52P3/2) transition induced by 4He have been measured at elevated temperatures of 373-723 K. The shift coefficients exhibit an increase of 20% from 4.36 MHz/Torr to 5.35 MHz/Torr for the D1 line and an 80% increase from 0.42 MHz/Torr to 0.99 MHz/Torr for the D2 line over the observed temperature range. Broadening coefficients exhibit a 6% increase from 17.8 MHz/Torr to 18.9 MHz/Torr and 10% from 18.5 MHz/Torr to 20.5 MHz/Torr for the D1 and D2 lines, respectively. The experimental values agree well with prior reported values within the temperature overlap regions of T < 394 K. Comparison to prior predictions from the Anderson-Talman theory using spin orbit multi reference (SOCI) ab initio potentials are superior to quantum treatments involving Allard and Baranger coupling.

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

Saha, J.; Chaudhary, S.; Majumdar, P.

We report a study on potential multiferroic characteristics of Yttrium Iron Garnet (YIG). The emergence of ferroelectricity in YIG is in debate but we provide evidence for strong magneto-electric coupling above room temperature from dielectric constant measurement with and without magnetic field. We find that the apparent pseudo-ferroelectric crossover temperature in YIG varies with frequency. For higher frequency the transition shifts towards higher temperature. This is indicative of relaxor behavior. We have also measured the dielectric constant in the presence of external magnetic field at high temperature that confirms interdependence of magnetic and dielectric properties.

Phonons and elasticity of cementite through the Curie temperature

NASA Astrophysics Data System (ADS)

Mauger, L.; Herriman, J. E.; Hellman, O.; Tracy, S. J.; Lucas, M. S.; Muñoz, J. A.; Xiao, Yuming; Li, J.; Fultz, B.

2017-01-01

Phonon partial densities of states (pDOS) of Fe573C were measured from cryogenic temperatures through the Curie transition at 460 K using nuclear resonant inelastic x-ray scattering. The cementite pDOS reveal that low-energy acoustic phonons shift to higher energies (stiffen) with temperature before the magnetic transition. This unexpected stiffening suggests strongly nonharmonic vibrational behavior that impacts the thermodynamics and elastic properties of cementite. Density functional theory calculations reproduced the anomalous stiffening observed experimentally in cementite by accounting for phonon-phonon interactions at finite temperatures. The calculations show that the low-energy acoustic phonon branches with polarizations along the [010] direction are largely responsible for the anomalous thermal stiffening. The effect was further localized to the motions of the FeII site within the orthorhombic structure, which participates disproportionately in the anomalous phonon stiffening.

Resolving the ambiguity in the relation between Stokes shift and Huang-Rhys parameter.

PubMed

de Jong, Mathijs; Seijo, Luis; Meijerink, Andries; Rabouw, Freddy T

2015-07-14

Electronic transitions in luminescent molecules or centers in crystals couple to vibrations. This results in broadening of absorption and emission bands, as well as in the occurence of a Stokes shift EStokes. In principle, one can derive from EStokes the Huang-Rhys parameter S, which describes the microscopic details of the vibrational coupling and can be related to the equilibrium position offset ΔQe between the ground state and excited state. The commonly used textbook relations EStokes = (2S - 1)ℏω and EStokes = 2Sℏω are only approximately valid. In this paper we investigate how EStokes is related to S, taking into account the effects of a finite temperature. We show that in different ranges of temperature, different approximate relations between EStokes and S are appropriate. Moreover, we demonstrate that the difference between the barycenters of absorption and emission bands can be used to determine S in an unambiguous way. The position of the barycenter is, contrary to the Stokes shift, unaffected by temperature.

NMR signature of evolution of ductile-to-brittle transition in bulk metallic glasses.

PubMed

Yuan, C C; Xiang, J F; Xi, X K; Wang, W H

2011-12-02

The mechanical properties of monolithic metallic glasses depend on the structures at atomic or subnanometer scales, while a clear correlation between mechanical behavior and structures has not been well established in such amorphous materials. In this work, we find a clear correlation of (27)Al NMR isotropic shifts with a microalloying induced ductile-to-brittle transition at ambient temperature in bulk metallic glasses, which indicates that the (27)Al NMR isotropic shift can be regarded as a structural signature to characterize plasticity for this metallic glass system. The study provides a compelling approach for investigating and understanding the mechanical properties of metallic glasses from the point of view of electronic structure. © 2011 American Physical Society

Magnetoreflection spectroscopy of monolayer transition-metal dichalcogenide semiconductors in pulsed magnetic fields

DOE PAGES

Stier, Andreas V.; McCreary, Kathleen M.; Jonker, Berend T.; ...

2016-05-13

The authors describe recent experimental efforts to perform polarization-resolved optical spectroscopy of monolayer transition-metal dichalcogenide semiconductors in very large pulsed magnetic fields to 65 T. The experimental setup and technical challenges are discussed in detail, and temperature-dependent magnetoreflection spectra from atomically thin tungsten disulphide are presented. The data clearly reveal not only the valley Zeeman effect in these two-dimensional semiconductors but also the small quadratic exciton diamagnetic shift from which the very small exciton size can be directly inferred. Lastly, the authors present model calculations that demonstrate how the measured diamagnetic shifts can be used to constrain estimates of themore » exciton binding energy in this new family of monolayer semiconductors.« less

Response of a continuous anaerobic digester to temperature transitions: A critical range for restructuring the microbial community structure and function.

PubMed

Kim, Jaai; Lee, Changsoo

2016-02-01

Temperature is a crucial factor that significantly influences the microbial activity and so the methanation performance of an anaerobic digestion (AD) process. Therefore, how to control the operating temperature for optimal activity of the microbes involved is a key to stable AD. This study examined the response of a continuous anaerobic reactor to a series of temperature shifts over a wide range of 35-65 °C using a dairy-processing byproduct as model wastewater. During the long-term experiment for approximately 16 months, the reactor was subjected to stepwise temperature increases by 5 °C at a fixed HRT of 15 days. The reactor showed stable performance within the temperature range of 35-45 °C, with the methane production rate and yield being maximum at 45 °C (18% and 26% greater, respectively, than at 35 °C). However, the subsequent increase to 50 °C induced a sudden performance deterioration with a complete cessation of methane recovery, indicating that the temperature range between 45 °C and 50 °C had a critical impact on the transition of the reactor's methanogenic activity from mesophilic to thermophilic. This serious process perturbation was associated with a severe restructuring of the reactor microbial community structure, particularly of methanogens, quantitatively as well as qualitatively. Once restored by interrupted feeding for about two months, the reactor maintained fairly stable performance under thermophilic conditions until it was upset again at 65 °C. Interestingly, in contrast to most previous reports, hydrogenotrophs largely dominated the methanogen community at mesophilic temperatures while acetotrophs emerged as a major group at thermophilic temperature. This implies that the primary methanogenesis route of the reactor shifted from hydrogen- to acetate-utilizing pathways with the temperature shifts from mesophilic to thermophilic temperatures. Our observations suggest that a mesophilic digester may not need to be cooled at up to 45 °C in case of undesired temperature rise, for example, by excessive self-heating, which offers a possibility to reduce operating costs. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

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

Pyda, Marek; Wunderlich, Bernhard

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 observedmore » 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).« less

The influence of copper precipitation and plastic deformation hardening on the impact-transition temperature of rolled structural steels

NASA Astrophysics Data System (ADS)

Aróztegui, Juan J.; Urcola, José J.; Fuentes, Manuel

1989-09-01

Commercial electric arc melted low-carbon steels, provided as I beams, were characterized both microstructurally and mechanically in the as-rolled, copper precipitation, and plastically pre-deformed conditions. Inclusion size distribution, ferrite grain size, pearlite volume fraction, precipitated volume fraction of copper, and size distribution of these precipitates were deter-mined by conventional quantitative optical and electron metallographic techniques. From the tensile tests conducted at a strain rate of 10-3 s-1 and impact Charpy V-notched tests carried out, stress/strain curves, yield stress, and impact-transition temperature were obtained. The spe-cific fractographic features of the fracture surfaces also were quantitatively characterized. The increases in yield stress and transition temperature experienced upon either aging or work hard-ening were related through empirical relationships. These dependences were analyzed semi-quantitatively by combining microscopic and macroscopic fracture criteria based on measured fundamental properties (fracture stress and yield stress) and observed fractographic parameters (crack nucleation distance and nuclei size). The rationale developed from these fracture criteria allows the semiquantitative prediction of the temperature transition shifts produced upon aging and work hardening. The values obtained are of the right order of magnitude.

Raman spectroscopy studies of temperature induced phase transitions in [N(CH3)3H]CdCl3 and DFT (B3LYP) calculations

NASA Astrophysics Data System (ADS)

Kchaou, H.; Karoui, K.; Bulou, A.; Ben Rhaiem, A.

2017-04-01

[N(CH3)3H]CdCl3 between 295 and 433 K possesses four phases. Three phase transition at T1=416 K, T2=373 K and T3=330 K (on heating) and T1=410 K, T2=386 K and T3=322 K (on cooling) was determined by differential scanning calorimetry. Thermal hysteresis of these transitions ΔT1=6 K, ΔT2=13 K and ΔT3=8 K, indicating a first order character. The X-ray diffraction study at room temperature revealed an orthorhombic system with Pbnm space group. The vibrational characteristics have been measured at room temperature by infrared spectroscopy (400-3800 cm-1) and by polarized Raman spectroscopy (10-3800 cm-1) on microcrystals orientated with respect to the organic and inorganic sublattice. The structure of this compound was optimized by density functional theory (DFT) using B3LYP with LanL2DZ and LanL2MB basis sets. The temperature dependence of the Raman line shifts ν and the half-width Δν detect the phase transitions (T1, T2 and T3).

Effect of Cr-N codoping on structural phase transition, Raman modes, and optical properties of TiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Hassnain Jaffari, G.; Tahir, Adnan; Ali, Naveed Zafar; Ali, Awais; Qurashi, Umar S.

2018-04-01

Noncompensated cation-anion codoping in TiO2 nanoparticles has been achieved by a chemical synthesis route. Significant reduction in the optical bandgap and enhancement in the absorption of visible light have been observed. Structural phase transformation has been tracked in detail as a function of doping and heat treatment temperature. Anatase to rutile phase transition temperature for doped samples was higher in comparison to the pure TiO2 nanoparticles. Nitrogen and chromium addition increases the phase transformation barrier, where the effect of the former dopant is of more significance. The Raman results showed an increase in the oxygen content with higher post annealing temperatures. With Cr incorporation, the peak associated with the Eg mode has been found to shift towards a higher wave number, while with nitrogen incorporation, the shift was towards a lower wave number. A decrease in reflectance with N co-doping for all samples, irrespective of phase and annealing temperatures, has been observed. In compositions with nitrogen of the same content, bandgap reduction was higher in the rutile phase in comparison to the anatase phase. In general, overall results revealed that with a higher loading fraction of ammonia, the N content increases, while Cr addition prevents nitrogen loss even up to high post annealing temperatures, i.e., 850 °C.

Hydrostatic pressure and temperature effect on the Raman spectra of the molecular crystal 2-amine-1,3,4-thiadiazole

NASA Astrophysics Data System (ADS)

de Toledo, T. A.; da Costa, R. C.; Bento, R. R. F.; Pizani, P. S.

2018-03-01

The structural, thermal and vibrational properties of the molecular crystal 2-amine-1,3,4-thiadiazole (ATD) were investigated combining X-ray diffraction, infrared spectroscopy, Raman scattering (in solid and in solution) and thermal analysis as experimental techniques and first principle calculations based on density functional theory using PZ, BLYP in condensed-phase and B3LYP/cc-pVTZ in isolated molecule methods. The structural stability and phonon anharmonicity were also studied using Raman spectroscopy at different temperatures and hydrostatic pressures. A reasonable agreement was obtained between calculated and experimental results. The main difference between experimental and computed structural and vibrational spectra occurred in the intermolecular bond distance Nsbnd H⋯N and stretching modes of NH2. The vibrational spectra were interpreted and assigned based on group theory and functional group analysis assisted by theoretical results, which led to a more comprehensive knowledge about external and internal modes at different thermodynamic conditions. As temperature increases, it was observed the line-width increases and red-shifts, indicating a phonon anharmonicity without a temperature-induced phase transition in the range 10-413 K. However, ATD crystal undergoes a phase transition in the temperature range 413-475 K, as indicated by thermal analysis curve and Raman spectra. Furthermore, increasing pressure from ambient to 3.1 GPa, it was observed the splitting of the external Raman bands centered at 122 cm-1 (at 0.2 GPa), 112 cm-1 (1.1 GPa), 93 cm-1 (2.4 GPa) in two components as well as the appearance of new band near 50 cm-1 at 1.1 GPa, indicating a possible phase-transition. The blue-shift of the Raman bands was associated to anharmonicity of the interatomic potential caused by unit cell contraction.

Solvation effect of bacteriochlorophyll excitons in light-harvesting complex LH2.

PubMed

Urboniene, V; Vrublevskaja, O; Trinkunas, G; Gall, A; Robert, B; Valkunas, L

2007-09-15

We have characterized the influence of the protein environment on the spectral properties of the bacteriochlorophyll (Bchl) molecules of the peripheral light-harvesting (or LH2) complex from Rhodobacter sphaeroides. The spectral density functions of the pigments responsible for the 800 and 850 nm electronic transitions were determined from the temperature dependence of the Bchl absorption spectra in different environments (detergent micelles and native membranes). The spectral density function is virtually independent of the hydrophobic support that the protein experiences. The reorganization energy for the B850 Bchls is 220 cm(-1), which is almost twice that of the B800 Bchls, and its Huang-Rhys factor reaches 8.4. Around the transition point temperature, and at higher temperatures, both the static spectral inhomogeneity and the resonance interactions become temperature-dependent. The inhomogeneous distribution function of the transitions exhibits less temperature dependence when LH2 is embedded in membranes, suggesting that the lipid phase protects the protein. However, the temperature dependence of the fluorescence spectra of LH2 cannot be fitted using the same parameters determined from the analysis of the absorption spectra. Correct fitting requires the lowest exciton states to be additionally shifted to the red, suggesting the reorganization of the exciton spectrum.

Atomic Clocks with Suppressed Blackbody Radiation Shift

NASA Astrophysics Data System (ADS)

Yudin, V. I.; Taichenachev, A. V.; Okhapkin, M. V.; Bagayev, S. N.; Tamm, Chr.; Peik, E.; Huntemann, N.; Mehlstäubler, T. E.; Riehle, F.

2011-07-01

We develop a concept of atomic clocks where the blackbody radiation shift and its fluctuations can be suppressed by 1-3 orders of magnitude independent of the environmental temperature. The suppression is based on the fact that in a system with two accessible clock transitions (with frequencies ν1 and ν2) which are exposed to the same thermal environment, there exists a “synthetic” frequency νsyn ∝ (ν1-ɛ12ν2) largely immune to the blackbody radiation shift. For example, in the case of Yb+171 it is possible to create a synthetic-frequency-based clock in which the fractional blackbody radiation shift can be suppressed to the level of 10-18 in a broad interval near room temperature (300±15K). We also propose a realization of our method with the use of an optical frequency comb generator stabilized to both frequencies ν1 and ν2, where the frequency νsyn is generated as one of the components of the comb spectrum.

Heat activation of Phycomyces blakesleeanus spores: theromdynamics and effect of alcohols, furfural, and high pressure.

PubMed

Thevelein, J M; Van Assche, J A; Carlier, A R; Heremans, K

1979-08-01

The thermodynamic parameters for the heat activation of the sporangiospores of Phycomyces blakesleeanus were determined. For the apparent activation enthalpy (DeltaH(#)) a value of 1,151 kJ/mol was found, whereas a value of 3,644 J./ degrees K.mol was calculated for the apparent activation entropy (DeltaS(#)). n-Alcohols (from methanol to octanol), phenethyl alcohol, and furfural lowered the activation temperature of P. blakesleeanus spores. The heat resistance of the spores was lowered concomitantly. The effect of the alcohols was a linear function of the concentration in the range that could be applied. When the log of the concentration needed to produce an equal shift of the activation temperature was plotted for each alochol against the log of the octanol/water partition coefficient, a straight line was obtained. The free energy of adsorption of the n-alcohols to their active sites was calculated to be -2,487 J/mol of CH(2) groups. Although still inconclusive, this points toward an involvement of protein in the activation process. The effect of phenethyl alcohol was similar to the effect of n-alcohols, but furfural produced a greater shift than would be expected from the value of its partition coefficient. When the heat activation of the spores was performed under high pressure, the activation temperature was raised by 2 to 4 degrees K/1,000 atm. However, with pressures higher than 1,000 atm (1.013 x 10(5) kPa) the activation temperature was lowered until the pressure became lethal (more than 2,500 atm). It is known that membrane phase transition temperatures are shifted upward by about 20 degrees K/1,000 atm and that protein conformational changes are shifted upward by 2 to 6 degrees K/1,000 atm. Consequently, heat activation of fungal spores seems to be triggered by a protein conformational change and not by a membrane phase transition. Activation volumes of -54.1 cm(3)/mol at 38 degrees C and -79.3 cm(2)/mol at 40 degrees C were found for the lowering effect of high pressure on the heat activation temperature.

Heat Activation of Phycomyces blakesleeanus Spores: Thermodynamics and Effect of Alcohols, Furfural, and High Pressure

PubMed Central

Thevelein, Johan M.; Van Assche, Jozef A.; Carlier, Albert R.; Heremans, Karel

1979-01-01

The thermodynamic parameters for the heat activation of the sporangiospores of Phycomyces blakesleeanus were determined. For the apparent activation enthalpy (ΔH#) a value of 1,151 kJ/mol was found, whereas a value of 3,644 J./°K·mol was calculated for the apparent activation entropy (ΔS#). n-Alcohols (from methanol to octanol), phenethyl alcohol, and furfural lowered the activation temperature of P. blakesleeanus spores. The heat resistance of the spores was lowered concomitantly. The effect of the alcohols was a linear function of the concentration in the range that could be applied. When the log of the concentration needed to produce an equal shift of the activation temperature was plotted for each alochol against the log of the octanol/water partition coefficient, a straight line was obtained. The free energy of adsorption of the n-alcohols to their active sites was calculated to be −2,487 J/mol of CH2 groups. Although still inconclusive, this points toward an involvement of protein in the activation process. The effect of phenethyl alcohol was similar to the effect of n-alcohols, but furfural produced a greater shift than would be expected from the value of its partition coefficient. When the heat activation of the spores was performed under high pressure, the activation temperature was raised by 2 to 4°K/1,000 atm. However, with pressures higher than 1,000 atm (1.013 × 105 kPa) the activation temperature was lowered until the pressure became lethal (more than 2,500 atm). It is known that membrane phase transition temperatures are shifted upward by about 20°K/1,000 atm and that protein conformational changes are shifted upward by 2 to 6°K/1,000 atm. Consequently, heat activation of fungal spores seems to be triggered by a protein conformational change and not by a membrane phase transition. Activation volumes of −54.1 cm3/mol at 38°C and −79.3 cm2/mol at 40°C were found for the lowering effect of high pressure on the heat activation temperature. PMID:88438

Hard X-ray photoemission study of the Fabre salts (TMTTF)2X (X = SbF6 and PF6)

NASA Astrophysics Data System (ADS)

Medjanik, Katerina; de Souza, Mariano; Kutnyakhov, Dmytro; Gloskovskii, Andrei; Müller, Jens; Lang, Michael; Pouget, Jean-Paul; Foury-Leylekian, Pascale; Moradpour, Alec; Elmers, Hans-Joachim; Schönhense, Gerd

2014-11-01

Core-level photoemission spectra of the Fabre salts with X = SbF6 and PF6 were taken using hard X-rays from PETRA III, Hamburg. In these salts TMTTF layers show a significant stack dimerization with a charge transfer of 1 e per dimer to the anion SbF6 or PF6. At room temperature and slightly below the core-level spectra exhibit single lines, characteristic for a well-screened metallic state. At reduced temperatures progressive charge localization sets in, followed by a 2nd order phase transition into a charge-ordered ground state. In both salts groups of new core-level signals occur, shifted towards lower kinetic energies. This is indicative of a reduced transverse-conductivity across the anion layers, visible as layer-dependent charge depletion for both samples. The surface potential was traced via shifts of core-level signals of an adsorbate. A well-defined potential could be established by a conducting cap layer of 5 nm aluminum which appears "transparent" due to the large probing depth of HAXPES (8-10 nm). At the transition into the charge-ordered phase the fluorine 1 s line of (TMTTF)2SbF6 shifts by 2.8 eV to higher binding energy. This is a spectroscopic fingerprint of the loss of inversion symmetry accompanied by a cooperative shift of the SbF6 anions towards the more positively charged TMTTF donors. This shift does not occur for the X = PF6 compound, most likely due to smaller charge disproportion or due to the presence of charge disorder.

Spectral properties near the Mott transition in the two-dimensional t-J model with next-nearest-neighbor hopping

NASA Astrophysics Data System (ADS)

Kohno, Masanori

2018-05-01

The single-particle spectral properties of the two-dimensional t-J model with next-nearest-neighbor hopping are investigated near the Mott transition by using cluster perturbation theory. The spectral features are interpreted by considering the effects of the next-nearest-neighbor hopping on the shift of the spectral-weight distribution of the two-dimensional t-J model. Various anomalous features observed in hole-doped and electron-doped high-temperature cuprate superconductors are collectively explained in the two-dimensional t-J model with next-nearest-neighbor hopping near the Mott transition.

Emergence of higher order rotational symmetry in the hidden order phase of URu 2Si 2

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

Kanchanavatee, N.; Janoschek, M.; Huang, K.

2016-09-30

Electrical resistivity measurements were performed in this paper as functions of temperature, magnetic field, and angle θ between the magnetic field and the c-axis of a URu 2Si 2 single crystal. The resistivity exhibits a two-fold oscillation as a function of θ at high temperatures, which undergoes a 180°-phase shift (sign change) with decreasing temperature at around 35 K. The hidden order transition is manifested as a minimum in the magnetoresistance and amplitude of the two-fold oscillation. Interestingly, the resistivity also showed four-fold, six-fold, and eight-fold symmetries at the hidden order transition. These higher order symmetries were also detected atmore » low temperatures, which could be a sign of the formation of another pseudogap phase above the superconducting transition, consistent with recent evidence for a pseudogap from point-contact spectroscopy measurements and NMR. Measurements of the magnetisation of single crystalline URu 2Si 2 with the magnetic field applied parallel and perpendicular to the crystallographic c-axis revealed regions with linear temperature dependencies between the hidden order transition temperature and about 25 K. Finally, this T-linear behaviour of the magnetisation may be associated with the formation of a precursor phase or ‘pseudogap’ in the density of states in the vicinity of 30–35 K.« less

Magnetic properties and magnetocaloric effect at room temperature of Ni50- x Ag x Mn37Sn13 alloys

NASA Astrophysics Data System (ADS)

Thanh, Tran Dang; Mai, Nguyen Thi; Dan, Nguyen Huy; Phan, The-Long; Yu, Seong-Cho

2014-11-01

In this work, we present a detailed study of the magnetic properties and the magnetocaloric effect at room temperature of Ni50- x Ag x Mn37Sn13 alloys with x = 1, 2, and 4, which were prepared by using an arc-melting method. Experimental results reveal that a partial replacement of Ag for Ni leads to a decrease in the anti-FM phase in the alloys. In addition, the martensitic-austenitic phase transition shifts towards lower temperature and is broaded. The Curie temperature ( T C A ) for the austenitic phase also shifts toward to lower temperature, but not by much. The Curie temperature was found to be 308, 305, and 298 K for x = 1, 2, and 4, respectively. The magnetic entropy change (Δ S m ) of the samples was calculated by using isothermal magnetization data. Under an applied magnetic field change of 10 kOe, the maximum value of Δ S m (|Δ S max |) was achieved at around room temperature and did not change much (~0.8 J·kg-1·K-1) with increasing Ag-doping concentration. Particularly, the M 2 vs. H/ M curves prove that all the samples exhibited a second-order magnetic phase transition. Based on Landau's phase-transition theory and careful analyses of the magnetic data around the T C A , we have determined the critical parameters β, γ, δ, and T C . The results show that the β values are located between those expected for the 3D-Heisenberg model ( β = 0.365) and mean-field theory ( β = 0.5). Such a result proves the coexistence of short-range and long-range ferromagnetic interactions in Ni50- x Ag x Mn37Sn13 alloys. The nature of the changes in the critical parameters and the |Δ S max | is thoroughly discussed by means of structural analyses.

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

Anand, Sampurn; Mohanty, Subhendra; Dey, Ujjal Kumar, E-mail: sampurn@prl.res.in, E-mail: ujjal@cts.iitkgp.ernet.in, E-mail: mohanty@prl.res.in

Cosmological phase transitions can be a source of Stochastic Gravitational Wave (SGW) background. Apart from the dynamics of the phase transition, the characteristic frequency and the fractional energy density Ω{sub gw} of the SGW depends upon the temperature of the transition. In this article, we compute the SGW spectrum in the light of QCD equation of state provided by the lattice results. We find that the inclusion of trace anomaly from lattice QCD, enhances the SGW signal generated during QCD phase transition by ∼ 50% and the peak frequency of the QCD era SGW are shifted higher by ∼ 25%more » as compared to the earlier estimates without trace anomaly. This result is extremely significant for testing the phase transition dynamics near QCD epoch.« less

Uniaxial creep property and viscoelastic-plastic modelling of ethylene tetrafluoroethylene (ETFE) foil

NASA Astrophysics Data System (ADS)

Li, Yintang; Wu, Minger

2015-02-01

Ethylene tetrafluoroethylene (ETFE) foil has been widely used in spatial structures for its light weight and high transparency. This paper studies short- and long-term creep properties of ETFE foil. Two series of short-term creep and recovery tests were performed, in which residual strain was observed. A long-term creep test of ETFE foil was also conducted and lasted about 400 days. A viscoelastic-plastic model was then established to describe short-term creep and recovery behaviour of ETFE foil. This model contains a traditional generalised Kelvin part and an added steady-flow component to represent viscoelastic and viscoplastic behaviour, respectively. The model can fit tests' data well at three stresses and six temperatures. Additionally, time-temperature superposition was adopted to simulate long-term creep behaviour of ETFE foil. Horizontal shifting factors were determined by W.L.F. equation in which transition temperature was simulated by shifting factors. Using this equation, long-term creep behaviours at three temperatures were predicted. The results of the long-term creep test showed that a short-term creep test at identical temperatures was insufficient to predict additional creep behaviour, and the long-term creep test verified horizontal shifting factors which were derived from the time-temperature superposition.

Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest pi-pi* transition.

PubMed

Barreto, Rafael C; Coutinho, Kaline; Georg, Herbert C; Canuto, Sylvio

2009-03-07

A combined and sequential use of Monte Carlo simulations and quantum mechanical calculations is made to analyze the spectral shift of the lowest pi-pi* transition of phenol in water. The solute polarization is included using electrostatic embedded calculations at the MP2/aug-cc-pVDZ level giving a dipole moment of 2.25 D, corresponding to an increase of 76% compared to the calculated gas-phase value. Using statistically uncorrelated configurations sampled from the MC simulation, first-principle size-extensive calculations are performed to obtain the solvatochromic shift. Analysis is then made of the origin of the blue shift. Results both at the optimized geometry and in room-temperature liquid water show that hydrogen bonds of water with phenol promote a red shift when phenol is the proton-donor and a blue shift when phenol is the proton-acceptor. In the case of the optimized clusters the calculated shifts are in very good agreement with results obtained from mass-selected free jet expansion experiments. In the liquid case the contribution of the solute-solvent hydrogen bonds partially cancels and the total shift obtained is dominated by the contribution of the outer solvent water molecules. Our best result, including both inner and outer water molecules, is 570 +/- 35 cm(-1), in very good agreement with the small experimental shift of 460 cm(-1) for the absorption maximum.

On The Stark Shift of Ar II 472.68 nm Spectral Line

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

Mijatovic, Z.; Gajo, T.; Vujicic, B.

The Stark shift of Ar II 472.68 nm (transition 4s2P - 4p2D deg. ) spectral lines emitted from T-tube plasmas was considered. The electron density ranged from (1.63-2.2){center_dot}1023 m-3 and was determined using laser interferometry. The plasma temperature, derived from the Gaussian part of recorded line profiles was found to be in the range (15000-43300) K. Experimental shifts were compared to theoretical values obtained from the semiempirical formula [M. S. Dimitrijevic and N. Konjevic, J. Quant. Spectrosc. Radiat. Transfer 24, 451 (1980)]. This comparison showed good agreement between experimental results and theory.

Probing critical behavior of 2D Ising ferromagnet with diluted bonds using Wang-Landau algorithm

NASA Astrophysics Data System (ADS)

Ridha, N. A.; Mustamin, M. F.; Surungan, T.

2018-03-01

Randomness is an important subject in the study of phase transition as defect and impurity may present in any real material. The pre-existing ordered phase of a pure system can be affected or even ruined by the presence of randomness. Here we study ferromagnetic Ising model on a square lattice with a presence of randomness in the form of bond dilution. The pure system of this model is known to experience second order phase transition, separating between the high temperature paramagnetic and low-temperature ferromagnetic phase. We used Wang-Landau algorithm of Monte Carlo method to obtain the density of states from which we extract the ensemble average of energy and the specific heat. We observed the signature of phase transition indicated by the diverging peak of the specific heat as system sizes increase. These peaks shift to the lower temperature side as the dilution increases. The lower temperature ordered phase preserves up to certain concentration of dilution and is totally ruined when the bonds no longer percolates.

27Al-NMR studies of the structural phase transition in LaPd2Al2

NASA Astrophysics Data System (ADS)

Aoyama, Taisuke; Kobayashi, Fumiaki; Kotegawa, Hisashi; Tou, Hideki; Doležal, Petr; Kriegner, Dominik; Javorský, Pavel; Uhlířová, Klára

2018-05-01

We performed 27Al-NMR measurements for the CaBe2Ge2 type single crystalline LaPd2Al2 in the temperature range from 100 K to 5 K to investigate the origin of the structural phase transition. We found that the line profile of the 27Al-NMR spectrum does not change entirely on passing through the structural phase transition at Tst. Meanwhile, the peak position of the central line slightly change (≈ 30 ppm) below 70 K, suggesting the orbital shift changes below Tst. The present 27Al-NMR studies evidence that the local electronic state at Al site is hardly affected by the structural phase transition.

Irradiation embrittlement characterization of the EUROFER 97 material

NASA Astrophysics Data System (ADS)

Kytka, M.; Brumovsky, M.; Falcnik, M.

2011-02-01

The paper summarizes original results of irradiation embrittlement study of EUROFER 97 material that has been proposed as one candidate of structural materials for future fusion energy systems and GEN IV. Test specimens were manufactured from base metal as well as from weld metal and tested in initial unirradiated condition and also after neutron irradiation. Irradiation embrittlement was characterized by testing of toughness properties at transition temperature region - static fracture toughness and dynamic fracture toughness properties, all in sub-size three-point bend specimens (27 × 4 × 3 mm 3). Testing and evaluation was performed in accordance with ASTM and ESIS standards, fracture toughness KJC and KJd data were also evaluated with the "Master curve" approach. Moreover, J- R dependencies were determined and analyzed. The paper compares unirradiated and irradiated properties as well as changes in transition temperature shifts of these material parameters. Discussion about the correlation between static and dynamic properties is also given. Results from irradiation of EUROFER 97 show that this steel - base metal as well as weld metal - is suitable as a structural material for reactor pressure vessels of innovative nuclear systems - fusion energy systems and GEN IV. Transition temperature shifts after neutron irradiation by 2.5 dpa dose show a good agreement in the case of EUROFER 97 base material for both static and dynamic fracture toughness tests. From the results it can be concluded that there is a low sensitivity of weld metal to neutron irradiation embrittlement in comparison with EUROFER 97 base metal.

Growth and characterization of high quality UPt(3) single crystals and high resolution NMR study of superfluid He-3-B

NASA Astrophysics Data System (ADS)

Kycia, Jan Bronislaw

An ultra-high-vacuum crystal growth facility using the electron beam float zone refining method was designed and built. High quality single crystals of UPtsb3 were grown. Material quality was characterized by mass spectrometry and x-ray scattering techniques. Low temperature resistivity, AC susceptibility and specific heat measurements were also conducted. We find that the transition temperature of the material can be varied systematically by annealing. The suppression of the superconducting transition from defects is consistent with a modified Abrikosov-Gorkov formula that includes anisotropic pairing, Fermi surface anisotropy and anisotropic scattering by defects. High resolution nuclear magnetic resonance (NMR) measurements of bulk superfluid sp3He-B were performed at temperatures above 0.5 mK and at pressures from 0.3 to 28.8 bar. The resonance frequency of the bulk superfluid sp3He-B is shifted from the Larmor frequency of the normal fluid. According to the theory of Greaves the frequency shift at the superfluid transition determines a specific combination, betasb{345}, of the five fourth-order coefficients of the order parameter invariants used in the Ginzburg-Landau description of superfluid sp3He. NMR measurements were performed to determine the coefficient betasb{345} and its dependence on pressure. The results are in agreement with the theoretical calculations of Sauls and Serene that are based on strong coupling contributions which are enhanced at higher pressures.

Deep-levels in gallium arsenide for device applications

NASA Astrophysics Data System (ADS)

McManis, Joseph Edward

Defects in semiconductors have been studied for over 40 years as a diagnostic of the quality of crystal growth. In this thesis, we investigate GaAs deep-levels specifically intended for devices. This thesis summarizes our efforts to characterize the near-infrared photoluminescence from deep-levels, study optical transitions via absorption, and fabricate and characterize deep-level light-emitting diodes (LEDs). This thesis also describes the first tunnel diodes which explicitly make use of GaAs deep-levels. Photoluminescence measurements of GaAs deep-levels showed a broad peak around a wavelength extending from 1.0--1.7 mum, which includes important wavelengths for fiber-optic communications (1.3--1.55 mum). Transmission measurements show the new result that very little of the radiative emission is self-absorbed. We measured the deep-level photoluminescence at several temperatures. We are also the first to report the internal quantum efficiency associated with the deep-level transitions. We have fabricated LEDs that, utilize the optical transitions of GaAs deep-levels. The electroluminescence spectra showed a broad peak from 1.0--1.7 mum at low currents, but the spectrum exhibited a blue-shift as the current was increased. To improve device performance, we designed an AlGaAs layer into the structure of the LEDs. The AlGaAs barrier layer acts as a resistive barrier so that the holes in the p-GaAs layer are swept away from underneath the gold p-contact. The AlGaAs layer also reduces the blue-shift by acting as a potential barrier so that only higher-energy holes are injected. We found that the LEDs with AlGaAs were brighter at long wavelengths, which was a significant improvement. Photoluminescence measurements show that the spectral blue-shift is not due to sample heating. We have developed a new physical model to explain the blue-shift: it is caused by Coloumb charging of the deep-centers. We have achieved the first tunnel diodes with which specifically utilize deep-levels in low-temperature-grown (LTG) GaAs. Our devices show the largest ever peak current density in a GaAs tunnel diode at room temperature. Our devices also show significant room-temperature peak-to-valley current ratios. The shape of the current-voltage characteristic and the properties of the optical emission enable us to determine the peak and valley transport mechanisms.

Lifetime Prediction of Nano-Silica based Glass Fibre/Epoxy composite by Time Temperature Superposition Principle

NASA Astrophysics Data System (ADS)

Anand, Abhijeet; Banerjee, Poulami; Prusty, Rajesh Kumar; Ray, Bankin Chandra

2018-03-01

The incorporation of nano fillers in Fibre reinforced polymer (FRP) composites has been a source of experimentation for researchers. Addition of nano fillers has been found to improve mechanical, thermal as well as electrical properties of Glass fibre reinforced polymer (GFRP) composites. The in-plane mechanical properties of GFRP composite are mainly controlled by fibers and therefore exhibit good values. However, composite exhibits poor through-thickness properties, in which the matrix and interface are the dominant factors. Therefore, it is conducive to modify the matrix through dispersion of nano fillers. Creep is defined as the plastic deformation experienced by a material for a temperature at constant stress over a prolonged period of time. Determination of Master Curve using time-temperature superposition principle is conducive for predicting the lifetime of materials involved in naval and structural applications. This is because such materials remain in service for a prolonged time period before failure which is difficult to be kept marked. However, the failure analysis can be extrapolated from its behaviour in a shorter time at an elevated temperature as is done in master creep analysis. The present research work dealt with time-temperature analysis of 0.1% SiO2-based GFRP composites fabricated through hand-layup method. Composition of 0.1% for SiO2nano fillers with respect to the weight of the fibers was observed to provide optimized flexural properties. Time and temperature dependence of flexural properties of GFRP composites with and without nano SiO2 was determined by conducting 3-point bend flexural creep tests over a range of temperature. Stepwise isothermal creep tests from room temperature (30°C) to the glass transition temperature Tg (120°C) were performed with an alternative creep/relaxation period of 1 hour at each temperature. A constant stress of 40MPa was applied during the creep tests. The time-temperature superposition principle was followed while determining the Master Curve and cumulative damage law. The purpose of a Master Curve was to determine the variation of compliance with respect to increase in time and temperature of the specimen. The shift factors at any reference temperature were determined by Arrhenius activation energy method at a far lower temperature than Tg (Glass transition temperature) and by manual shift method at a temperature near Tg (Glass transition temperature).

Excitation-Power Dependence of the Near Band-Edge PL Spectra of CdMnTe with High Mn Concentrations

NASA Astrophysics Data System (ADS)

Hwang, Younghun; Um, Youngho; Park, Hyoyeol

2011-12-01

Temperature and excitation power dependences of photoluminescence (PL) measurements were studied for the CdMnTe crystal grown by the vertical Bridgman method. The near band-edge and intra-Mn2+ emissions were investigated as a function of temperature. The observed band-edge peak of the PL spectrum showed a clear blue-shift with decreasing temperature. However, the peak energy of the intra-Mn2+ transition did not decrease monotonically with changing temperature, as can be seen above 70 K. With increasing the excitation power, the intensity of the emission peak was increased.

Impact of Disorder on the Superconducting Phase Diagram in BaFe2(As1-xPx)2

NASA Astrophysics Data System (ADS)

Mizukami, Yuta; Konczykowski, Marcin; Matsuura, Kohei; Watashige, Tatsuya; Kasahara, Shigeru; Matsuda, Yuji; Shibauchi, Takasada

2017-08-01

In many classes of unconventional superconductors, the question of whether the superconductivity is enhanced by the quantum-critical fluctuations on the verge of an ordered phase remains elusive. One of the most direct ways of addressing this issue is to investigate how the superconducting dome traces a shift of the ordered phase. Here, we study how the phase diagram of the iron-based superconductor BaFe2(As1-xPx)2 changes with disorder via electron irradiation, which keeps the carrier concentrations intact. With increasing disorder, we find that the magneto-structural transition is suppressed, indicating that the critical concentration is shifted to the lower side. Although the superconducting transition temperature Tc is depressed at high concentrations (x ≳ 0.28), it shows an initial increase at lower x. This implies that the superconducting dome tracks the shift of the antiferromagnetic phase, supporting the view of the crucial role played by quantum-critical fluctuations in enhancing superconductivity in this iron-based high-Tc family.

Fundamental considerations in the effect of molecular weight on the glass transition of the gelatin/cosolute system.

PubMed

Jiang, Bin; Kasapis, Stefan; Kontogiorgos, Vassilis

2012-05-01

Four molecular fractions of gelatin produced by alkaline hydrolysis of collagen were investigated in the presence of cosolute to record the mechanical properties of the glass transition in high-solid preparations. Dynamic oscillatory and stress relaxation moduli in shear were recorded from 40°C to temperatures as low as -60°C. The small-deformation behavior of these linear polymers was separated by the method of reduced variables into a basic function of time alone and a basic function of temperature alone. The former allowed the reduction of isothermal runs into a master curve covering 17 orders of magnitude in the time domain. The latter follows the passage from the rubbery plateau through the glass transition region to the glassy state seen in the variation of shift factor, a(T) , as a function of temperature. The mechanical glass transition temperature (T(g) ) is pinpointed at the operational threshold of the free volume theory and the predictions of the reaction rate theory. Additional insights into molecular dynamics are obtained via the coupling model of cooperativity, which introduces the concept of coupling constant or interaction strength of local segmental motions that govern structural relaxation at the vicinity of T(g) . The molecular weight of the four gelatin fractions appears to have a profound effect on the transition temperature or coupling constant of vitrified matrices, as does the protein chemistry in relation to that of amorphous synthetic polymers or gelling polysaccharides. © 2011 Wiley Periodicals, Inc.

Thermotropic phase transitions in Pb{sub 1−x}Sr{sub x}(Al{sub 1/3}Nb{sub 2/3}){sub 0.1}(Zr{sub 0.52}Ti{sub 0.48}){sub 0.9}O{sub 3} ceramics: Temperature dependent dielectric permittivity and Raman scattering

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

Li, C. Q.; Peng, L.; Jiang, K.

2015-06-15

The phase transitions of Pb{sub 1−x}Sr{sub x}(Al{sub 1/3}Nb{sub 2/3}){sub 0.1}(Zr{sub 0.52}Ti{sub 0.48}){sub 0.9}O{sub 3} (Sr-modified PAN-PZT) ceramics with Sr compositions of x = 2%, 5%, 10% and 15% have been investigated using X-ray diffraction (XRD), temperature dependent dielectric permittivity and Raman scattering. The XRD analysis show that the phase transition occurs between Sr composition of 5% and 10%. Based on the broad dielectric peaks at 100 Hz, the diffused phase transition from tetragonal (T) to cubic (C) structure shifts to lower temperature with increasing Sr composition. The dramatic changes of wavenumber and full width at half-maximum (FWHM) for E(TO{sub 4})′more » softing mode can be observed at morphotropic phase boundary (MPB). Moreover, the MPB characteristic shows a wider and lower trend of temperature region with increasing Sr composition. It could be ascribed to the diminishment of the energy barrier and increment of A-cation entropy. Therefore, the Sr-modified PAN-PZT ceramics unambiguously undergo two successive structural transitions (rhombohedral-tetragonal-cubic phase) with temperature from 80 to 750 K. Correspondingly, the phase diagram of Sr-modified PAN-PZT ceramics can be well depicted.« less

Molecular Weight Effects on the Viscoelastic Response of a Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2000-01-01

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC -SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of each material with different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have increased creep compliance and creep compliance rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of approximately 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly.

NMR and transport measurements of copper chalcogenide and clathrate compounds

NASA Astrophysics Data System (ADS)

Sirusi Arvij, Ali

Due to limited sources of fossil fuels worldwide and a large percentage wasted as heat energy, searching for efficient thermoelectric materials to convert heat to electricity has gained a great deal of attention. Most of the attempts are focused on materials with substantially lower lattice thermal conductivity and narrow band gaps. Among them, inorganic clathrates and copper-based chalcogenides possess intrinsic low thermal conductivity which makes them promising thermoelectrics. In this work, nuclear magnetic resonance (NMR), transport, and magnetic measurements were performed on clathrates and copper-based chalcogenides to investigate their vibrational and electronic charge carrier properties, as well as the unknown structures of Cu2Se and Cu 2Te at low temperatures, and the effect of rattling of guest atoms in the clathrates. The NMR results in Ba8Ga16Ge30 indicate a pseudogap in the Ga electronic density of states, superposed upon a surprisingly large Ba contribution to the conduction band. Meanwhile, the phonon contributions to the Ga relaxation rates are large and increase more rapidly with temperature than typical semiconductors due to enhanced anharmonicity of the propagative phonon modes over a wide range. Moreover, the observed NMR shifts in the Ba8Cu5Si xGe41-x clathrates change in a nonlinear way with increasing Si substitution: from x = 0 to about 20 the shifts are essentially constant, while approaching x = 41 they increase rapidly, demonstrating a significant change in hybridizations vs Si substitution. NMR studies of Cu2Se show an initial appearance of ionic hopping in a narrow temperature range above 100 K, coinciding with the recently observed low-temperature phase transition. At room temperature and above, this goes over to rapid Cu-ion hopping and a single motionally narrowed line both above and below the alpha-beta structural transition. Furthermore, the NMR results on Cu2Te and Cu 1.98Ag0.2Te demonstrate unusually large negative chemical shifts, as well as large Cu and Te s-state contributions in the valence band. The large diamagnetic chemical shifts coincide with behavior previously identified for materials with topologically nontrivial band inversion, and in addition, the large metallic shifts point to analogous features in the valence band density of states, suggesting that Cu2Te may have similar inverted features.

Climate and vegetational regime shifts in the late Paleozoic ice age earth.

PubMed

DiMichele, W A; Montañez, I P; Poulsen, C J; Tabor, N J

2009-03-01

The late Paleozoic earth experienced alternation between glacial and non-glacial climates at multiple temporal scales, accompanied by atmospheric CO2 fluctuations and global warming intervals, often attended by significant vegetational changes in equatorial latitudes of Pangaea. We assess the nature of climate-vegetation interaction during two time intervals: middle-late Pennsylvanian transition and Pennsylvanian-Permian transition, each marked by tropical warming and drying. In case study 1, there is a catastrophic intra-biomic reorganization of dominance and diversity in wetland, evergreen vegetation growing under humid climates. This represents a threshold-type change, possibly a regime shift to an alternative stable state. Case study 2 is an inter-biome dominance change in western and central Pangaea from humid wetland and seasonally dry to semi-arid vegetation. Shifts between these vegetation types had been occurring in Euramerican portions of the equatorial region throughout the late middle and late Pennsylvanian, the drier vegetation reaching persistent dominance by Early Permian. The oscillatory transition between humid and seasonally dry vegetation appears to demonstrate a threshold-like behavior but probably not repeated transitions between alternative stable states. Rather, changes in dominance in lowland equatorial regions were driven by long-term, repetitive climatic oscillations, occurring with increasing intensity, within overall shift to seasonal dryness through time. In neither case study are there clear biotic or abiotic warning signs of looming changes in vegetational composition or geographic distribution, nor is it clear that there are specific, absolute values or rates of environmental change in temperature, rainfall distribution and amount, or atmospheric composition, approach to which might indicate proximity to a terrestrial biotic-change threshold.

Fracture toughness of irradiated modified 9Cr-1Mo steel

NASA Astrophysics Data System (ADS)

Kim, Sung Ho; Yoon, Ji-Hyun; Ryu, Woo Seog; Lee, Chan Bock; Hong, Jun Hwa

2009-04-01

The effects of irradiation on fracture toughness of modified 9Cr-1Mo steel in the transition region were investigated. Half size precracked Charpy specimens were irradiated up to 1.2 × 10 21n/cm 2 ( E > 0.1 MeV) at 340 °C and 400 °C in the Korean research reactor. The irradiation induced transition temperature shift for a modified 9Cr-1Mo was evaluated by using the Master Curve methodology. The T0 temperature for the unirradiated specimens were measured as -67.7 °C and -72.4 °C from the tests with standard PCVN (precracked charpy V-notch) and half sized PCVN specimens, respectively. The T0 shifts of specimens after irradiation at 340 °C and 400 °C were 70.7 °C and 66.1 °C, respectively. The Weibull slopes for the fracture toughness data obtained from the unirradiated and irradiated modified 9Cr-1Mo steels were determined to confirm the applicability of master curve methodology to modified 9Cr-1Mo steel.

Evaluation of the effect of roasting process on the energy transition and the crystalline structures of Arabica, Robusta, and Liberica coffee from Jambi Indonesia

NASA Astrophysics Data System (ADS)

Perdana, B. M.; Manihuruk, R.; Ashyar, R.; Heriyanti; Sutrisno

2018-04-01

The effect of the roasting process has been evaluated to determine of the energy transition and the crystalline structure of three types of coffee, Arabica, Robusta, and Liberica coffee both green and roasted coffee with the roasted temperature at 200°C and 230°C. The crystalline structure of the coffee was evaluated with X-ray powder diffraction (XRD). The result exposes that the three types of green coffee showed that an amorphous structure whereas the roasted coffee denotes a crystal structure of sucrose. The varied temperature in the roasting process leads to changes in the crystal structure shown by the peak shift of 2θ for all types of coffee. The added cations, such as Fe2+, Ca2+, and Mg2+ ions on Liberica coffee induced of changes in the crystal structures, which are assigned by the peak shift, that imply of metal ions of the sucrose complexes happened in the solution, except for the addition of Mg2+ ion.

Effects of Aging-Time Reference on the Long Term Behavior of the IM7/K3B Composite

NASA Technical Reports Server (NTRS)

Veazie, David R.; Gates, Thomas S.

1998-01-01

An analytical study was undertaken to investigate the effects of the time-based shift reference on the long term behavior of the graphite reinforced thermoplastic polyimide composite IM7/K3B at elevated temperature. Creep compliance and the effects of physical aging on the time dependent response was measured for uniaxial loading at several isothermal conditions below the glass transition temperature (T(sub g). Two matrix dominated loading modes, shear and transverse, were investigated in tension and compression. The momentary sequenced creep/aging curves were collapsed through a horizontal (time) shift using the shortest, middle and longest aging time curve as the reference curve. Linear viscoelasticity was used to characterize the creep/recovery behavior and superposition techniques were used to establish the physical aging related material constants. The use of effective time expressions in a laminated plate model allowed for the prediction of long term creep compliance. The effect of using different reference curves with time/aging-time superposition was most sensitive to the physical aging shift rate at lower test temperatures. Depending on the loading mode, the reference curve used can result in a more accurate long term prediction, especially at lower test temperatures.

On the nature of a glassy state of matter in a hydrated protein: Relation to protein function.

PubMed

Teeter, M M; Yamano, A; Stec, B; Mohanty, U

2001-09-25

Diverse biochemical and biophysical experiments indicate that all proteins, regardless of size or origin, undergo a dynamic transition near 200 K. The cause of this shift in dynamic behavior, termed a "glass transition," and its relation to protein function are important open questions. One explanation postulated for the transition is solidification of correlated motions in proteins below the transition. We verified this conjecture by showing that crambin's radius of gyration (Rg) remains constant below approximately 180 K. We show that both atom position and dynamics of protein and solvent are physically coupled, leading to a novel cooperative state. This glassy state is identified by negative slopes of the Debye-Waller (B) factor vs. temperature. It is composed of multisubstate side chains and solvent. Based on generalization of Adam-Gibbs' notion of a cooperatively rearranging region and decrease of the total entropy with temperature, we calculate the slope of the Debye-Waller factor. The results are in accord with experiment.

Chiral phase transition of three flavor QCD with nonzero magnetic field using standard staggered fermions

NASA Astrophysics Data System (ADS)

Tomiya, Akio; Ding, Heng-Tong; Mukherjee, Swagato; Schmidt, Christian; Wang, Xiao-Dan

2018-03-01

Lattice simulations for (2+1)-flavor QCD with external magnetic field demon-strated that the quark mass is one of the important parameters responsible for the (inverse) magnetic catalysis. We discuss the dependences of chiral condensates and susceptibilities, the Polyakov loop on the magnetic field and quark mass in three degenerate flavor QCD. The lattice simulations are performed using standard staggered fermions and the plaquette action with spatial sizes Nσ = 16 and 24 and a fixed temporal size Nτ = 4. The value of the quark masses are chosen such that the system undergoes a first order chiral phase transition and crossover with zero magnetic field. We find that in light mass regime, the quark chiral condensate undergoes magnetic catalysis in the whole temperature region and the phase transition tend to become stronger as the magnetic field increases. In crossover regime, deconfinement transition temperature is shifted by the magnetic field when quark mass ma is less than 0:4. The lattice cutoff effects are also discussed.

Synthesis, structural and optical properties of PVP coated transition metal doped ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Desai, N. V.; Shaikh, I. A.; Rawal, K. G.; Shah, D. V.

2018-05-01

The room temperature photoluminescence (PL) of transition metal doped ZnS nanoparticles is investigated in the present study. The PVP coated ZnS nanoparticles doped with transition metals are synthesized by facile wet chemical co-precipitation method with the concentration of impurity 1%. The UV-Vis absorbance spectra have a peak at 324nm which shifts slightly to 321nm upon introduction of the impurity. The incorporation of the transition metal as dopant is confirmed by X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS). The particle size and the morphology are characterized by scanning electron microscopy (SEM), XRD and UV-Vis spectroscopy. The average size of synthesized nanoparticles is about 2.6nm. The room temperature photoluminescence (PL) of undoped and doped ZnS nanoparticles show a strong and sharp peak at 782nm and 781.6nm respectively. The intensity of the PL changes with the type of doping having maximum for manganese (Mn).

Structural and magnetic phase transitions in EuTi 1-xNb xO 3

DOE PAGES

Li, Ling; Morris, James R.; Koehler, Michael R.; ...

2015-07-30

Here, we investigate the structural and magnetic phase transitions in EuTi 1-xNb xO 3 (0≤x≤0.3) with synchrotron powder x-ray diffraction, resonant ultrasound spectroscopy, and magnetization measurements. Upon Nb doping, the Pmmore » $$\\bar{3}$$m ↔ I4/mcm structural transition shifts to higher temperatures and the room temperature lattice parameter increases while the magnitude of the octahedral tilting decreases. In addition, Nb substitution for Ti destabilizes the antiferromagnetic ground state of the parent compound and long-range ferromagnetic order is observed in the samples with x≥0.1. Moreover, the structural transition in pure and doped compounds is marked by a dramatic step-like softening of the elastic moduli near T S, which resembles that of SrTiO 3 and can be adequately modeled using the Landau free energy model employing the same coupling between strain and octahedral tilting order parameter as previously used to model SrTiO 3.« less

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

Herojit Singh, L.; Govindaraj, R., E-mail: govind@igcar.gov.in; Rajagopalan, S.

Mössbauer spectroscopic studies have been carried out at different temperatures across ferromagnetic to paramagnetic transition in Ni{sub 50}Fe{sub 35}Co{sub 15} and the evolution of hyperfine parameters such as centre shift and magnetic hyperfine fields with temperature has been studied. Mössbauer spectrum obtained at 300 K in Ni{sub 50}Fe{sub 35}Co{sub 15} exhibiting fcc crystal structure is a six line pattern with the mean value of the hyperfine field close to 33 Tesla. Ferromagnetic to paramagnetic transition has been observed to occur in this system around 895 K matching with that of magnetization results. Debye temperature of this nickel rich alloy ismore » deduced to be around 470 K matching with that of Ni. Effect of prolonged annealing at 750 K on the magnetic property is also investigated with respect to the thermal stability of the alloy.« less

Parametric study of irradiation effects on the ductile damage and flow stress behavior in ferritic-martensitic steels

NASA Astrophysics Data System (ADS)

Chakraborty, Pritam; Biner, S. Bulent

2015-10-01

Ferritic-martensitic steels are currently being considered as structural materials in fusion and Gen-IV nuclear reactors. These materials are expected to experience high dose radiation, which can increase their ductile to brittle transition temperature and susceptibility to failure during operation. Hence, to estimate the safe operational life of the reactors, precise evaluation of the ductile to brittle transition temperatures of ferritic-martensitic steels is necessary. Owing to the scarcity of irradiated samples, particularly at high dose levels, micro-mechanistic models are being employed to predict the shifts in the ductile to brittle transition temperatures. These models consider the ductile damage evolution, in the form of nucleation, growth and coalescence of voids; and the brittle fracture, in the form of probabilistic cleavage initiation, to estimate the influence of irradiation on the ductile to brittle transition temperature. However, the assessment of irradiation dependent material parameters is challenging and influences the accuracy of these models. In the present study, the effects of irradiation on the overall flow stress and ductile damage behavior of two ferritic-martensitic steels is parametrically investigated. The results indicate that the ductile damage model parameters are mostly insensitive to irradiation levels at higher dose levels though the resulting flow stress behavior varies significantly.

Non-Gaussian statistics and nanosecond dynamics of electrostatic fluctuations affecting optical transitions in proteins.

PubMed

Martin, Daniel R; Matyushov, Dmitry V

2012-08-30

We show that electrostatic fluctuations of the protein-water interface are globally non-Gaussian. The electrostatic component of the optical transition energy (energy gap) in a hydrated green fluorescent protein is studied here by classical molecular dynamics simulations. The distribution of the energy gap displays a high excess in the breadth of electrostatic fluctuations over the prediction of the Gaussian statistics. The energy gap dynamics include a nanosecond component. When simulations are repeated with frozen protein motions, the statistics shifts to the expectations of linear response and the slow dynamics disappear. We therefore suggest that both the non-Gaussian statistics and the nanosecond dynamics originate largely from global, low-frequency motions of the protein coupled to the interfacial water. The non-Gaussian statistics can be experimentally verified from the temperature dependence of the first two spectral moments measured at constant-volume conditions. Simulations at different temperatures are consistent with other indicators of the non-Gaussian statistics. In particular, the high-temperature part of the energy gap variance (second spectral moment) scales linearly with temperature and extrapolates to zero at a temperature characteristic of the protein glass transition. This result, violating the classical limit of the fluctuation-dissipation theorem, leads to a non-Boltzmann statistics of the energy gap and corresponding non-Arrhenius kinetics of radiationless electronic transitions, empirically described by the Vogel-Fulcher-Tammann law.

Raman and infrared studies of nucleosides at high pressures: II. Cytidine.

PubMed

Li, J; Lee, S A; Pinnick, D A; Anderson, A; Smith, W; Griffey, R H; Mohan, V

2002-06-01

Raman and mid-infrared (MIR) spectra have been recorded for crystalline cytidine at pressures up to 10 GPa at room temperature. Broadening and positive wavenumber shifts are observed for most of the Raman and MIR peaks with increasing pressure. However, some of the MIR peaks associated with hydrogen-stretching modes display a negative wavenumber shift as a result of charge transfer effects. Evidence of a phase transition near 4 GPa is presented and attributed to a change in the conformation of the five membered sugar ring.

Prediction of the glass transition in aqueous solutions of simple amides by molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Kreck, Cara A.; Mandumpal, Jestin B.; Mancera, Ricardo L.

2011-01-01

Some simple amides in aqueous solution are used in the cryopreservation of biological tissues as they are believed to promote the vitrification of water, inhibiting its crystallisation and the ensuing damage from ice formation. Molecular dynamics annealing simulations reveal a broadening in the glass transition of aqueous acetamide and N-methylacetamide solutions, suggesting a thermodynamic stabilisation of the glassy state, which may be responsible for their increased tendency of vitrification and their cryoprotective ability. By contrast, aqueous formamide solutions do not exhibit broadening of the glass transition; instead, it is shifted to lower temperatures, which explains their lack of vitrification properties.

Entropic Origin of Pseudogap Physics and a Mott-Slater Transition in Cuprates

DOE PAGES

Markiewicz, R. S.; Buda, I. G.; Mistark, P.; ...

2017-03-22

Here, we propose a new approach to understand the origin of the pseudogap in the cuprates, in terms of bosonic entropy. The near-simultaneous softening of a large number of different q-bosons yields an extended range of short-range order, wherein the growth of magnetic correlations with decreasing temperature T is anomalously slow. These entropic effects cause the spectral weight associated with the Van Hove singularity (VHS) to shift rapidly and nearly linearly toward half filling at higher T, consistent with a picture of the VHS driving the pseudogap transition at a temperature ~T*. As a byproduct, we develop an order-parameter classificationmore » scheme that predicts supertransitions between families of order parameters. As one example, we find that by tuning the hopping parameters, it is possible to drive the cuprates across a transition between Mott and Slater physics, where a spin-frustrated state emerges at the crossover.« less

Contactless electroreflectance studies of free exciton binding energy in Zn1-xMgxO epilayers

NASA Astrophysics Data System (ADS)

Wełna, M.; Kudrawiec, R.; Kaminska, A.; Kozanecki, A.; Laumer, B.; Eickhoff, M.; Misiewicz, J.

2013-12-01

Contactless electroreflectance (CER) has been applied to study optical transitions in Zn1-xMgxO layers with magnesium concentration ≤44%. CER resonances related to free exciton and band-to-band transitions were clearly observed at room temperature. For ZnO the two transitions are separated by the energy of ˜65 meV, which is attributed to the free exciton binding energy in ZnO. Due to magnesium incorporation, the CER resonances broaden and shift to blue. The energy separation between excitonic and band-to-band transitions increases up to ˜100 meV when the magnesium concentration reaches 22%. For larger magnesium concentrations, CER resonances are significantly broadened and the excitonic transition is no longer resolved in the CER spectrum.

Atmospheric autoxidation is increasingly important in urban and suburban North America

NASA Astrophysics Data System (ADS)

Praske, Eric; Otkjær, Rasmus V.; Crounse, John D.; Caleb Hethcox, J.; Stoltz, Brian M.; Kjaergaard, Henrik G.; Wennberg, Paul O.

2018-01-01

Gas-phase autoxidation—regenerative peroxy radical formation following intramolecular hydrogen shifts—is known to be important in the combustion of organic materials. The relevance of this chemistry in the oxidation of organics in the atmosphere has received less attention due, in part, to the lack of kinetic data at relevant temperatures. Here, we combine computational and experimental approaches to investigate the rate of autoxidation for organic peroxy radicals (RO2) produced in the oxidation of a prototypical atmospheric pollutant, n-hexane. We find that the reaction rate depends critically on the molecular configuration of the RO2 radical undergoing hydrogen transfer (H-shift). RO2 H-shift rate coefficients via transition states involving six- and seven-membered rings (1,5 and 1,6 H-shifts, respectively) of α-OH hydrogens (HOC-H) formed in this system are of order 0.1 s‑1 at 296 K, while the 1,4 H-shift is calculated to be orders of magnitude slower. Consistent with H-shift reactions over a substantial energetic barrier, we find that the rate coefficients of these reactions increase rapidly with temperature and exhibit a large, primary, kinetic isotope effect. The observed H-shift rate coefficients are sufficiently fast that, as a result of ongoing NOx emission reductions, autoxidation is now competing with bimolecular chemistry even in the most polluted North American cities, particularly during summer afternoons when NO levels are low and temperatures are elevated.

Fracture toughness and Charpy impact properties of several RAFMS before and after irradiation in HFIR

NASA Astrophysics Data System (ADS)

Sokolov, M. A.; Tanigawa, H.; Odette, G. R.; Shiba, K.; Klueh, R. L.

2007-08-01

As part of the development of candidate reduced-activation ferritic steels for fusion applications, several steels, namely F82H, 9Cr-2WVTa steels and F82H weld metal, are being investigated in the joint DOE-JAEA collaboration program. Within this program, three capsules containing a variety of specimen designs were irradiated at two design temperatures in the ORNL High Flux Isotope Reactor (HFIR). Two capsules, RB-11J and RB-12J, were irradiated in the HFIR removable beryllium positions with europium oxide (Eu 2O 3) thermal neutron shields in place. Specimens were irradiated up to 5 dpa. Capsule JP25 was irradiated in the HFIR target position to 20 dpa. The design temperatures were 300 °C and 500 °C. Precracked third-sized V-notch Charpy (3.3 × 3.3 × 25.4 mm) and 0.18 T DC(T) specimens were tested to determine transition and ductile shelf fracture toughness before and after irradiation. The master curve methodology was applied to evaluate the fracture toughness transition temperature, T0. Irradiation induced shifts of T0 and reductions of JQ were compared with Charpy V-notch impact properties. Fracture toughness and Charpy shifts were also compared to hardening results.

Exchange bias in multiferroic Ca3Mn2O7 effected by Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Sahlot, Pooja; Jana, Anupam; Awasthi, A. M.

2018-04-01

Ruddlesden-Popper manganite Ca3Mn2O7 has been synthesized in single phase orthorhombic structure with Cmcm space group. Temperature dependent magnetization M(T) shows that Ca3Mn2O7 undergoes long range antiferromagnetic (AFM) transition below 123 K, with weak ferromagnetism (WFM) at lower temperatures. Field dependent magnetization M(H) confirms WFM character below ˜110 K in the AFM-base magnetic structure. Detailed analysis of the zero field cooled magnetic hysteresis loops reveals a measurable exchange bias (EB) effect in the sample. EB is attributed to the high anisotropy in the sample and the presence of Dzyaloshinskii-Moriya (D-M) interaction, responsible for the canted interfacial-spins that couple "FM-clusters" with the "AFM-matrix". Temperature dependence of horizontal shifts of the M(H) loops in terms of the coercive fields (Hc±) and vertical shifts in terms of the remnant magnetizations (Mr±) is presented.

Temperature-Dependence of Air-Broadened Line Widths and Shifts in the nu3 Band of Ozone

NASA Technical Reports Server (NTRS)

Smith, Mary A. H.; Rinsland, Curtis P.; Devi, V. Malathy; Benner, D. Chris; Cox, A. M.

2006-01-01

The 9.6-micron bands of O3 are used by many remote-sensing experiments for retrievals of terrestrial atmospheric ozone concentration profiles. Line parameter errors can contribute significantly to the total errors in these retrievals, particularly for nadir-viewing. The McMath-Pierce Fourier transform spectrometer at the National Solar Observatory on Kitt Peak was used to record numerous high-resolution infrared absorption spectra of O3 broadened by various gases at temperatures between 160 and 300 K. Over 30 spectra were analyzed simultaneously using a multispectrum nonlinear least squares fitting technique to determine Lorentz air-broadening and pressure-induced shift coefficients along with their temperature dependences for selected transitions in the 3 fundamental band of (16)O3. We compare the present results with other measurements reported in the literature and with the ozone parameters on the 2000 and 2004 editions of the HITRAN database.

Large effect of membrane tension on the fluid-solid phase transitions of two-component phosphatidylcholine vesicles.

PubMed

Chen, Dong; Santore, Maria M

2014-01-07

Model phospholipid membranes and vesicles have long provided insight into the nature of confined materials and membranes while also providing a platform for drug delivery. The rich thermodynamic behavior and interesting domain shapes in these membranes have previously been mapped in extensive studies that vary temperature and composition; however, the thermodynamic impact of tension on bilayers has been restricted to recent reports of subtly reduced fluid-fluid transition temperatures. In two-component phosphatidylcholine unilamellar vesicles [1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC)/1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC)], we report a dramatic influence of tension on the fluid-solid transition and resulting phases: At fixed composition, systematic variations in tension produce differently shaped solid domains (striped or irregular hexagons), shift fluid-solid transition temperatures, and produce a triple-point-like intersection of coexistence curves at elevated tensions, about 3 mN/m for 30% DOPC/70% DPPC. Tension therefore represents a potential switch of microstructure in responsive engineered materials; it is an important morphology-determining variable in confined systems, and, in biological membranes, it may provide a means to regulate dynamic structure.

Optical transitions in GaNAs quantum wells with variable nitrogen content embedded in AlGaAs

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

Elborg, M., E-mail: ELBORG.Martin@nims.go.jp; Noda, T.; Mano, T.

2016-06-15

We investigate the optical transitions of GaN{sub x}As{sub 1−x} quantum wells (QWs) embedded in wider band gap AlGaAs. A combination of absorption and emission spectroscopic techniques is employed to systematically investigate the properties of GaNAs QWs with N concentrations ranging from 0 – 3%. From measurement of the photocurrent spectra, we find that besides QW ground state and first excited transition, distinct increases in photocurrent generation are observed. Their origin can be explained by N-induced modifications in the density of states at higher energies above the QW ground state. Photoluminescence experiments reveal that peak position dependence with temperature changes withmore » N concentration. The characteristic S-shaped dependence for low N concentrations of 0.5% changes with increasing N concentration where the low temperature red-shift of the S-shape gradually disappears. This change indicates a gradual transition from impurity picture, where localized N induced energy states are present, to alloying picture, where an impurity-band is formed. In the highest-N sample, photoluminescence emission shows remarkable temperature stability. This phenomenon is explained by the interplay of N-induced energy states and QW confined states.« less

Effects of cross-links, pressure and temperature on the thermal properties and glass transition behaviour of polybutadiene.

PubMed

Tonpheng, Bounphanh; Yu, Junchun; Andersson, Ove

2011-09-07

The thermal conductivity κ, heat capacity per unit volume ρc(p) and glass transition behaviour under pressure have been established for medium and high vinyl content polybutadiene PB with molecular weights 2600 and 100,000 and their highly cross-linked (ebonite) states obtained purely by high-pressure high-temperature treatments. Cross-linking eliminates the glass transitions and increases κ by as much as 50% at 295 K and 1 atm, and decreases ρc(p) to a limiting level close to that of the glassy state of PB, which is reached before the ultimate cross-link density is achieved. The pressure and temperature behaviours of κ are strongly changed by cross-links, which increases the effect of temperature but decreases the effect of pressure. We attribute these changes to a cross-linked induced permanent densification and consequential increase of phonon velocity simultaneously as conduction along polymer chains is disrupted. The glass transition temperatures for a time scale of 1 s are described to within 0.5 K by: T(g)(p) = 202.5 (1 + 2.94 p)(0.286) and T(g)(p) = 272.3 (1 + 2.57 p)(0.233) (p in GPa and T in K) up to 1 GPa, for PB2600 and PB100000, respectively, and can be estimated for medium and high vinyl content PBs with molecular weights in between by a constant, pressure independent, shift in temperature. This journal is © the Owner Societies 2011

Faithful state transfer between two-level systems via an actively cooled finite-temperature cavity

NASA Astrophysics Data System (ADS)

Sárkány, Lőrinc; Fortágh, József; Petrosyan, David

2018-03-01

We consider state transfer between two qubits—effective two-level systems represented by Rydberg atoms—via a common mode of a microwave cavity at finite temperature. We find that when both qubits have the same coupling strength to the cavity field, at large enough detuning from the cavity mode frequency, quantum interference between the transition paths makes the swap of the excitation between the qubits largely insensitive to the number of thermal photons in the cavity. When, however, the coupling strengths are different, the photon-number-dependent differential Stark shift of the transition frequencies precludes efficient transfer. Nevertheless, using an auxiliary cooling system to continuously extract the cavity photons, we can still achieve a high-fidelity state transfer between the qubits.

Energy shifts in photoemission lines during the tetragonal- to cubic-phase transition in BaTiO3 single crystals and systems with CoFe2O4 and NiFe2O4 overlayers

NASA Astrophysics Data System (ADS)

Welke, M.; Huth, P.; Dabelow, K.; Gorgoi, M.; Schindler, K.-M.; Chassé, A.; Denecke, R.

2018-05-01

In BaTiO3 the phase transition from tetragonal to cubic is connected with the disappearance of the ferroelectric polarization. In photoelectron spectroscopy huge transient shifts in the binding energies of all core-level photoemission lines have been observed while heating and cooling through the Curie temperature. Excitation energies from 2 keV to 6 keV have been used to show this to be a bulk effect and not a surface effect alone. These observations are discussed in terms of charging, which results from the disappearance of the ferroelectric polarization. This mechanism has previously been proposed as the origin of electron emission in ferroelectric materials. Besides the jump-like shifts, additional permanent shifts in binding energies have been observed for the tetragonal and the cubic phase. These experimental shifts have been related to theoretical ones from ab initio calculations. In addition to BaTiO3 single crystals, systems with CoFe2O4 and NiFe2O4 overlayers on BaTiO3 have been investigated. The low conductivity of these layers sets them apart from metallic overlayers like Fe or Co, where the shifts are suppressed. This difference adds further support for charging as the origin of the effect.

Means and method for vapor generation

DOEpatents

Carlson, Larry W.

1984-01-01

A liquid, in heat transfer contact with a surface heated to a temperature well above the vaporization temperature of the liquid, will undergo a multiphase (liquid-vapor) transformation from 0% vapor to 100% vapor. During this transition, the temperature driving force or heat flux and the coefficients of heat transfer across the fluid-solid interface, and the vapor percentage influence the type of heating of the fluid--starting as "feedwater" heating where no vapors are present, progressing to "nucleate" heating where vaporization begins and some vapors are present, and concluding with "film" heating where only vapors are present. Unstable heating between nucleate and film heating can occur, accompanied by possibly large and rapid temperature shifts in the structures. This invention provides for injecting into the region of potential unstable heating and proximate the heated surface superheated vapors in sufficient quantities operable to rapidly increase the vapor percentage of the multiphase mixture by perhaps 10-30% and thereby effectively shift the multiphase mixture beyond the unstable heating region and up to the stable film heating region.

Microfiber Structures for Sensor Applications

NASA Astrophysics Data System (ADS)

Harun, S. W.; Lim, K. S.; Ahmad, H.

Microfiber loop resonator (MLR) and microfiber knot resonator (MKR) are fabricated using melt-stretching method for applications in temperature and current sensor, respectively. The MLR is embedded into low refractive index polymer for robustness. Although the spacing of the transmission comb spectrum of the MLR is unchanged with temperature, the extinction ratio of the spectrum is observed to decrease linearly with temperature due to induced changes in the material's refractive index. The slope of the extinction ratio reduction against temperature is about 0.043dB/°C. With the assistance of a copper wire that is wrapped by the MKR, resonant wavelength can be tuned by varying the electric current delivered to the wire. The resonant wavelength change is based on the thermally induced optical phase shift in the MKR due to the heat produced by the flow of electric current over a short transit length. It is shown that the wavelength shift is linearly proportional to the square of current in the copper wire with a tuning slope of 46 pm/A2.

Magnetocaloric Effect in Ni50Mn36Sb14- x Z x (Z = Al, Ge; x = 0, 2) Heusler Alloys

NASA Astrophysics Data System (ADS)

Emelyanova, S. M.; Bebenin, N. G.; Dyakina, V. P.; Chistyakov, V. V.; Dyachkova, T. V.; Tyutyunnik, A. P.; Wang, R. L.; Yang, C. P.; Sauerzopf, F.; Marchenkov, V. V.

2018-02-01

The temperature dependences of the electrical resistivity and magnetization of the Ni50Mn36Sb14- x Z x (Z = Al, Ge; x = 0; 2) alloys have been used to determine the characteristic phase transition temperatures. The isothermal entropy change Δ S was determined using Maxwell's equation and the field dependences of magnetization. The partial substitution of Ge for Sb has been shown to result in a slight increase in Δ S and a shift in the Δ S maximum to the low-temperature range. The substitution of Al for Sb leads to a decrease in the effect and shift in the Δ S maximum to the high-temperature range. It has been found that the maximum magnetocaloric effect has been observed for the Ni50Mn36Sb12Ge2 composition and is equal to Δ S = 1.3 J/(kg K) in a field change of 10 kOe.

Magnetic field induced enhancement of resistance in polycrystalline ZrTe5

NASA Astrophysics Data System (ADS)

Behera, Prakash; Bera, Sumit; Patidar, Manju Mishra; Singh, Durgesh; Mishra, A. K.; Krishnan, M.; Gangrade, M.; Deshpande, U. P.; Venkatesh, R.; Ganesan, V.

2018-04-01

Transport properties of the polycrystalline ZrTe5 showing a considerable positive Magneto-Resistance (MR) in the intermediate temperatures has been reported. Substantial shift of peak temperature by approximately 65 K with an applied magnetic field of 13.5 Tesla has been observed. Magneto resistance of this polycrystalline sample (˜100%) is comparable with its single crystalline counterpart reported in literature. The peak intensity scales with peak temperature and obeys reasonably the Dionne relationship that is a clear indication of polaron mediated conduction in this system. Magneto Resistance (MR) in this system is attributed to the two carrier polaronic conduction model similar to the Holstein's approach. The results are further complemented with the Peak shift in magnetic field expected for a system having a fraction of localized carrier density. This observation places this famous thermoelectric material that displays a topological Dirac to Weyl transition in magnetic field in to the family of materials that have potential technological applications in the liquid nitrogen temperature range viz. 85-150 K.

Means and method for vapor generation

DOEpatents

Carlson, L.W.

A liquid, in heat transfer contact with a surface heated to a temperature well above the vaporization temperature of the liquid, will undergo a multiphase (liquid-vapor) transformation from 0% vapor to 100% vapor. During this transition, the temperature driving force or heat flux and the coefficients of heat transfer across the fluid-solid interface, and the vapor percentage influence the type of heating of the fluid - starting as feedwater heating where no vapors are present, progressing to nucleate heating where vaporization begins and some vapors are present, and concluding with film heating where only vapors are present. Unstable heating between nucleate and film heating can occur, accompanied by possibly large and rapid temperature shifts in the structures. This invention provides for injecting into the region of potential unstable heating and proximate the heated surface superheated vapors in sufficient quantities operable to rapidly increase the vapor percentage of the multiphase mixture by perhaps 10 to 30% and thereby effectively shift the multiphase mixture beyond the unstable heating region and up to the stable film heating region.

Longitudinal Proximity Effect, Lateral Inverse Proximity Effect, and Nonequilibrium Superconductivity in Transition-edge Sensors

NASA Technical Reports Server (NTRS)

Sadleir, John E.

2010-01-01

We have recently shown that normal-metal/superconductor (N/S) bilayer TESs (superconducting Transition-Edge Sensors) exhibit weak-link behavior. Our measurements were explained in terms of a longitudinal proximity effect model in which superconducting order from the higher transition temperature leads is induced into the TES bilayer plane over remarkably long distances (up to 290 micron). Here we extend our understanding to include TESs with added noise-mitigating normal-metal structures (N structures). We explain our results of an effect converse to the longitudinal proximity effect (LoPE), the lateral inverse proximity effect (LaiPE), for which the order parameter in the N/S bilayer is reduced due to the neighboring N structures. We present resistance and critical current measurements as a function of temperature and magnetic field taken on square Mo/Au bilayer TESs with lengths ranging from 8 to 130 micron with and without added N structures. We observe the inverse proximity effect on the bilayer over in-plane distances many tens of microns and find the transition shifts to lower temperature scale approximately as the inverse square of the in-plane N-structure separation distance, without appreciable broadening of the transition width. We find TESs with added Au structures exhibit weak-link behavior as evidenced by exponential temperature dependence of the critical current and Josephson-like oscillations of the critical current with applied magnetic field. We also present evidence for nonequilbrium superconductivity and estimate a quasiparticle lifetime of 1.8 x 10(exp -10) s for the bilayer. The LoPE model is also used to explain the increased conductivity at temperatures above the bilayer's steep resistive transition

Longitudinal Proximity Effect, Lateral Inverse Proximity Effect, and Nonequilibrium Superconductivity in Transition-Edge Sensors

NASA Technical Reports Server (NTRS)

Sadleir, John E.

2010-01-01

We have recently shown that normal-metal/superconductor (N /S) bilayer TESs (superconducting Transition-Edge Sensors) exhibit weak-link behavior. Our measurements were explained in terms of a longitudinal proximity effect model in which superconducting order from the higher transition temperature leads is induced into the TES bilayer plane over remarkably long distances (up to 290 micron). Here we extend our understanding to include TESs with added noise-mitigating normal-metal structures (N structures). We explain our results in terms of an effect converse to the longitudinal proximity effect (LoPE), the lateral inverse proximity effect (LaiPE), for which the order parameter in the N /S bilayer is reduced due to the neighboring N structures. We present resistance and critical current measurements as a function of temperature and magnetic field taken on square Mo/Au bilayer TESs with lengths ranging from 8 to 130 micron with and without added N structures. We observe the inverse proximity effect on the bilayer over in-plane distances many tens of microns and find the transition shifts to lower temperatures scale approximately as the inverse square of the in-plane N-structure separation distance, without appreciable broadening of the transition width. We find TESs with added Au structures exhibit weak-link behavior as evidenced by exponential temperature dependence of the critical current and Josephson-like oscillations of the critical current with applied magnetic field. We also present evidence for nonequilbrium superconductivity and estimate a quasiparticle lifetime of 1.8 x 10(exp -10) s for the bilayer. The LoPE model is also used to explain the increased conductivity at temperatures above the bilayer's steep resistive transition.

On the temperature dependence of the Adam-Gibbs equation around the crossover region in the glass transition

NASA Astrophysics Data System (ADS)

Duque, Michel; Andraca, Adriana; Goldstein, Patricia; del Castillo, Luis Felipe

2018-04-01

The Adam-Gibbs equation has been used for more than five decades, and still a question remains unanswered on the temperature dependence of the chemical potential it includes. Nowadays, it is a well-known fact that in fragile glass formers, actually the behavior of the system depends on the temperature region it is being studied. Transport coefficients change due to the appearance of heterogeneity in the liquid as it is supercooled. Using the different forms for the logarithmic shift factor and the form of the configurational entropy, we evaluate this temperature dependence and present a discussion on our results.

Oxygen-vacancy-related dielectric relaxation in SrBi2Ta1.8V0.2O9 ferroelectrics

NASA Astrophysics Data System (ADS)

Wu, Yun; Forbess, Mike J.; Seraji, Seana; Limmer, Steven J.; Chou, Tammy P.; Cao, Guozhong

2001-05-01

The strontium bismuth tantalate vanadate, SrBi2Ta1.8V0.2O9, (SBTV) layered perovskite ferroelectrics were made by solid state powder sintering. It was found that the SBTV ferroelectrics had the same crystal structure as that of strontium bismuth tantalate, SrBi2Ta2O9 (SBT), but an increased paraferroelectric transition temperature at ˜360 °C as compared to 305 °C for SBT. In addition, SBTV ferroelectrics showed a frequency dispersion at low frequencies and broadened dielectric peaks at the paraferroelectric transition temperature that shifted to a higher temperature with a reduced frequency. However, after a postsintering annealing at 850 °C in air for 60 h, SBTV ferroelectrics showed reduced dielectric constants and tangent loss, particularly at high temperatures. In addition, no frequency dependence of paraferroelectric transition was found in the annealed SBTV ferroelectrics. Furthermore, there was a significant reduction in dc conductivity with annealing. The prior results implied that the dielectric relaxation in the as-sintered SBTV ferroelectrics was most likely due to the oxygen-vacancy-related dielectric relaxation instead of relaxor ferroelectric behavior.

Different Effects of Long- and Short-Chain Ceramides on the Gel-Fluid and Lamellar-Hexagonal Transitions of Phospholipids: A Calorimetric, NMR, and X-Ray Diffraction Study

PubMed Central

Sot, Jesús; Aranda, Francisco J.; Collado, M.-Isabel; Goñi, Félix M.; Alonso, Alicia

2005-01-01

The effects on dielaidoylphosphatidylethanolamine (DEPE) bilayers of ceramides containing different N-acyl chains have been studied by differential scanning calorimetry small angle x-ray diffraction and 31P-NMR spectroscopy. N-palmitoyl (Cer16), N-hexanoyl (Cer6), and N-acetyl (Cer2) sphingosines have been used. Both the gel-fluid and the lamellar-inverted hexagonal transitions of DEPE have been examined in the presence of the various ceramides in the 0-25 mol % concentration range. Pure hydrated ceramides exhibit cooperative endothermic order-disorder transitions at 93°C (Cer16), 60°C (Cer6), and 54°C (Cer2). In DEPE bilayers, Cer16 does not mix with the phospholipid in the gel phase, giving rise to high-melting ceramide-rich domains. Cer16 favors the lamellar-hexagonal transition of DEPE, decreasing the transition temperature. Cer2, on the other hand, is soluble in the gel phase of DEPE, decreasing the gel-fluid and increasing the lamellar-hexagonal transition temperatures, thus effectively stabilizing the lamellar fluid phase. In addition, Cer2 was peculiar in that no equilibrium could be reached for the Cer2-DEPE mixture above 60°C, the lamellar-hexagonal transition shifting with time to temperatures beyond the instrumental range. The properties of Cer6 are intermediate between those of the other two, this ceramide decreasing both the gel-fluid and lamellar-hexagonal transition temperatures. Temperature-composition diagrams have been constructed for the mixtures of DEPE with each of the three ceramides. The different behavior of the long- and short-chain ceramides can be rationalized in terms of their different molecular geometries, Cer16 favoring negative curvature in the monolayers, thus inverted phases, and the opposite being true of the micelle-forming Cer2. These differences may be at the origin of the different physiological effects that are sometimes observed for the long- and short-chain ceramides. PMID:15695626

Antisite disorder induced spin glass and exchange bias effect in Nd2NiMnO6 epitaxial thin film

NASA Astrophysics Data System (ADS)

Singh, Amit Kumar; Chauhan, Samta; Chandra, Ramesh

2017-03-01

We report the observation of the exchange bias effect and spin glass behaviour at low temperature in a ferromagnetic Nd2NiMnO6 epitaxial thin film. Along with the ferromagnetic transition at ˜194 K, an additional transition is observed at lower temperature (˜55 K) as seen from M-T curves of the sample. A shift in the ac susceptibility peak with frequency has been observed at low temperature, which is a signature of a glassy phase within the sample. The detailed investigation of the memory effect and time dependent magnetic relaxation measurements reveals the presence of a spin glass phase in the Nd2NiMnO6 thin film. The exchange bias effect observed at low temperature in the sample has been associated with an antisite disorder induced spin glass phase, which results in a ferromagnetic/spin glass interface at low temperature. The exchange bias behaviour has been further confirmed by performing cooling field and temperature dependence of exchange bias along with training effect measurements.

Photoluminescence nonuniformity from self-seeding nuclei in CVD-grown monolayer MoSe2.

PubMed

Tian, Xiangling; Wei, Rongfei; Liu, Shanshan; Zhang, Yeming; Qiu, Jianrong

2018-01-03

We present optical spectroscopy (photoluminescence and Raman spectrum) studies of monolayer transition metal dichalcogenide MoSe 2 , with spatial location, temperature and excitation power dependence. The investigated spectra show location-dependent behavior with an increase in photoluminescence and Raman intensity and a blue-shift in photoluminescence peak position in the inner region. The observed behaviors of a large shift in the photoluminescence peak position at the edge and biexciton emissions in the inner region confirm that the monolayer MoSe 2 crystals grow from nucleation centers during the CVD process. Temperature activated energy and dependence of the peak position are attributed to residual oxygen during the growth. Investigating this information provides a basis for precisely controlling the synthesis of TMDCs and their application in advanced optoelectronics.

Dynamical transition, hydrophobic interface, and the temperature dependence of electrostatic fluctuations in proteins.

PubMed

Lebard, David N; Matyushov, Dmitry V

2008-12-01

Molecular dynamics simulations have revealed a dramatic increase, with increasing temperature, of the amplitude of electrostatic fluctuations caused by water at the active site of metalloprotein plastocyanin. The increased breadth of electrostatic fluctuations, expressed in terms of the reorganization energy of changing the redox state of the protein, is related to the formation of the hydrophobic protein-water interface, allowing large-amplitude collective fluctuations of the water density in the protein's first solvation shell. On top of the monotonic increase of the reorganization energy with increasing temperature, we have observed a spike at approximately 220 K also accompanied by a significant slowing of the exponential collective Stokes shift dynamics. In contrast to the local density fluctuations of the hydration-shell waters, these spikes might be related to the global property of the water solvent crossing the Widom line or undergoing a weak first-order transition.

Observations on the brittle to ductile transition temperatures of B2 nickel aluminides with and without zirconium

NASA Technical Reports Server (NTRS)

Raj, S. V.; Noebe, R. D.; Bowman, R.

1989-01-01

The effect of a zirconium addition (0.05 at. pct) to a stoichiometric NiAl alloy on the brittle-to-ductile transition temperature (BDTT) of this alloy was investigated. Constant velocity tensile tests were conducted to fracture between 300 and 1100 K under initial strain rate 0.00014/sec, and the true stress and true strain values were determined from plots of load vs time after subtracting the elastic strain. The inelastic strain was measured under a traveling microscope. Microstructural characterization of as-extruded and fractured specimens was carried out by SEM and TEM. It was found that, while the addition of 0.05 at. pct Zr strengthened the NiAl alloy, it increased its BDTT; this shift in the BDTT could not be attributed either to variations in grain size or to impurity contents. Little or no room-temperature ductility was observed for either alloy.

Magnetostructural transitions and magnetocaloric effects in Ni50Mn35In14.25B0.75 ribbons

NASA Astrophysics Data System (ADS)

Pandey, Sudip; Quetz, Abdiel; Ibarra-Gaytan, P. J.; Sánchez-Valdés, C. F.; Aryal, Anil; Dubenko, Igor; Sanchez Llamazares, Jose Luis; Stadler, Shane; Ali, Naushad

2018-05-01

The structural, thermal, and magnetic behaviors, as well as the martensitic phase transformation and related magnetocaloric response of Ni50Mn35In14.25B0.75 annealed ribbons have been investigated using room-temperature X-ray diffraction (XRD), differential scanning calorimetry (DSC), and magnetization measurements. Ni50Mn35In14.25B0.75 annealed ribbons show a sharper change in magnetization at the martensitic transition, resulting in larger magnetic entropy changes in comparison to bulk Ni50Mn35In14.25B0.75. A drastic shift in the martensitic transformation temperature (TM) of 70 K to higher temperature was observed for the annealed ribbons relative to that of the bulk (TM = 240 K). The results obtained for magnetic, thermal, structural, and magnetocaloric properties of annealed ribbons have been compared to those of the corresponding bulk alloys.

Proximity Effects and Nonequilibrium Superconductivity in Transition-Edge Sensors

NASA Technical Reports Server (NTRS)

Sadleir, John E.; Smith, Stephen J.; Robinson, Ian K.; Finkbeiner, Fred M.; Chervenak, James A.; Bandler, Simon R.; Eckart, Megan E.; Kilbourne, Caroline A.

2011-01-01

We have recently shown that normal-metal/superconductor (N/S) bilayer TESs (superconducting Transition-Edge Sensors) exhibit weak-link behavior.l Here we extend our understanding to include TESs with added noise-mitigating normal-metal structures (N structures). We find TESs with added Au structures also exhibit weak-link behavior as evidenced by exponential temperature dependence of the critical current and Josephson-like oscillations of the critical current with applied magnetic field. We explain our results in terms of an effect converse to the longitudinal proximity effect (LoPE) 1, the lateral inverse proximity effect (LaiPE), for which the order parameter in the N/S bilayer is reduced due to the neighboring N structures. Resistance and critical current measurements are presented as a function of temperature and magnetic field taken on square Mol Au bilayer TESs with lengths ranging from 8 to 130 {\\mu}m with and without added N structures. We observe the inverse proximity effect on the bilayer over in-plane distances many tens of microns and find the transition shifts to lower temperatures scale approximately as the inverse square of the in- plane N-structure separation distance, without appreciable broadening of the transition width. We also present evidence for nonequilbrium superconductivity and estimate a quasiparticle lifetime of 1.8 \\times 10-10 s for the bilayer. The LoPE model is also used to explain the increased conductivity at temperatures above the bilayer's steep resistive transition.

Quantum size effects in the size-temperature phase diagram of gallium: structural characterization of shape-shifting clusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2015-02-09

Finite temperature analysis of cluster structures is used to identify signatures of the low-temperature polymorphs of gallium, based on the results of first-principle Born-Oppenheimer molecular dynamics simulations. Pre-melting structural transitions proceed from either the β- and/or the δ-phase to the γ- or δ-phase, with a size- dependent phase progression. We relate the stability of each isomer to the electronic structures of the different phases, giving new insight into the origin of polymorphism in this complicated element. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic structure of charge-density-wave state in quasi-2D KMo6O17 purple bronze characterized by angle resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Valbuena, M. A.; Avila, J.; Drouard, S.; Guyot, H.; Asensio, M. C.

2006-01-01

We report on an angle-resolved-photoemission spectroscopy (ARPES) investigation of layered quasi-two dimensional (2D) Molybdenum purple bronze KMo6O17 in order to study and characterizes the transition to a charge-density-wave (CDW) state. We have performed photoemission temperature dependent measurements cooling down from room temperature (RT) to 32 K, well below the Peierls transition for this material, with CDW transition temperature Tc =110 K. The spectra have been taken at a selected kF point of the Fermi surface (FS) that satisfies the nesting condition of the FS, looking for the characteristic pseudo-gap opening in this kind of materials. The pseudogap has been estimated and it result to be in agreement with our previous works. The shift to lower binding energy of crossing Fermi level ARPES feature have been also confirmed and studied as a function of temperature, showing a rough like BCS behaviour. Finally we have also focused on ARPES measurements along ΓM¯ high symmetry direction for both room and low temperature states finding some insight for ‘shadow’ or back folded bands indicating the new periodicity of real lattice after the CDW lattice distortion.

Nitrogen-Pressure Shifts in the v3 Band of Methane Measured at Several Temperatures between 300 and 90 K

NASA Technical Reports Server (NTRS)

Tumuhimbise, Anthony T.; Hurtmans, Daniel; Mantz, Arlan W.; Mondelain, Didier

2008-01-01

Remote sensing of the Earth's atmosphere requires accurate knowledge of spectroscopic line parameters for the molecules investigated. Knowledge of the temperature dependence of these parameters is also essential if agreement, at the noise level, between calculated and experimental data is to be achieved. The authors recently published results of nitrogen broadening measurements in the v3 band of 12CH4 using the 5.37 m long absorption path length all-copper Herriott cell. The temperature dependent line parameters determined in the laboratory were applied to fit a portion of the atmospheric spectrum recorded with a balloon-borne remote sensing FTIR instrument, called the Limb Profile Monitor of the Atmosphere, and operating in absorption against the sun. Since the authors had a relatively complete series of data for the P(9) transition in the v3 band of 12CH4, the A2 1 as well as the F2 1, F1 1 and A1 1 lines recorded at different pressures and at four temperatures between 300 and 90 K, we reanalyzed the data to derive pressure shift information at different temperatures. The temperatures for which data were collected and analyzed are 298, 140 and 90K. The high precision pressure shift data obtained here over a large range of temperature demonstrate the ability of our experimental arrangement to address specific questions on a given spectral window like in the balloon experiment or in a satellite project, for example.

Simultaneous First-Order Valence and Oxygen Vacancy Order/Disorder Transitions in (Pr 0.85 Y 0.15 ) 0.7 Ca 0.3 CoO 3-δ via Analytical Transmission Electron Microscopy

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

Gulec, Ahmet; Phelan, Daniel; Leighton, Chris

Perovskite cobaltites have been studied for years as some of the few solids to exhibit thermally driven spin-state crossovers. The unanticipated first-order spin and electronic transitions recently discovered in Pr-based cobaltites are notably different from these conventional crossovers, and are understood in terms of a unique valence transition. In essence, the Pr valence is thought to spontaneously shift from 3+ toward 4+ on cooling, driving subsequent transitions in Co valence and electronic/magnetic properties. Here, we apply temperature-dependent transmission electron microscopy and spectroscopy to study this phenomenon, for the first time with atomic spatial resolution, in the prototypical (Pr 0.85Y 0.15)(0.70)more » Ca 0.30CoO 3-δ. In addition to the direct spectroscopic observation of charge transfer between Pr and Co at the 165 K transition (on both the Pr and O edges), we also find a simultaneous order/disorder transition associated with O vacancies. Remarkably, the first-order valence change drives a transition between ordered and random O vacancies, at constant O vacancy density, demonstrating reversible crystallization of such vacancies even at cryogenic temperatures.« less

Flux effect analysis in WWER-440 reactor pressure vessel steels

NASA Astrophysics Data System (ADS)

Kryukov, A.; Blagoeva, D.; Debarberis, L.

2013-11-01

The results of long term research programme concerning the determination of irradiation embrittlement dependence on fast neutron flux for WWER-440 reactor pressure vessel steels before and after annealing are presented in this paper. The study of flux effect was carried out on commercial WWER-440 steels which differ significantly in phosphorous (0.013-0.036 wt%) and copper (0.08-0.20 wt%) contents. All specimens were irradiated in surveillance channel positions under similar conditions at high ˜4 × 1012 сm-2 s-1 and low ˜6 × 1011 сm-2 s-1 fluxes (E > 0.5 MeV) at a temperature of 270 °С. The radiation embrittlement was evaluated by transition temperature shift on the basis of Charpy specimens test results. In case of low flux, the measured Tk shifts could be 25-50 °C bigger than the Tk shifts obtained from high flux data. A significant flux effect is observed in WWER-440 reactor pressure vessel steels with higher copper content (>0.13 wt%).

A New Probe to Change Curie Temperature of PbTiO3 Sensors

NASA Technical Reports Server (NTRS)

Katiyar, R. S.; Jinfang, Meng

1997-01-01

High temperature Raman spectra of nanocrystalline Pb(0.8)Ba(0.2)TiO3, Pb(0.8)Sr(0.2) TiO3, Pb(0.8)La(0.2)TiO3 and Pb(0.8)Ba(0.2)TiO3, have been measured, as a function of particle size. There appears respectively a distinct temperature-induced soft mode phase transition in every sample whose Curie temperature can be determined from the mean-field theory. The detailed Curie temperature shift in modified PbTi03 ceramics by Ba, Sr, La, and Zr, has also been investigated as a function of particle size. This study will favor preparations of high efficiency PbTi03 sensors with an adjustable Curie temperature.

Characterization of a rapid climate shift at the MIS 8/7 transition in central Spain (Valdocarros II, Autonomous Region of Madrid) by means of the herpetological assemblages

NASA Astrophysics Data System (ADS)

Blain, Hugues-Alexandre; Panera, Joaquin; Uribelarrea, David; Rubio-Jara, Susana; Pérez-González, Alfredo

2012-07-01

Climate instability with high-amplitude and rapid shifts during the Middle Pleistocene is well known from pollen records and deep-ocean sediment cores. Although poorly correlatable with such long climate/environment records, the successive fossil amphibian and reptile assemblages from the Middle Pleistocene site of Valdocarros II (Autonomous Region of Madrid, central Spain) provide a unique opportunity to characterize the climatic and environmental features of such rapid (certainly less than 1000 years) shifts from cold to warm conditions in a terrestrial sequence. As the amphibians and reptiles do not differ at species level from the extant herpetofauna of the Iberian Peninsula, they can contribute to the reconstruction of the landscape and climate. In this paper, the mutual climatic range and habitat weighting methods are applied to the herpetofaunistic assemblages in order to estimate quantitative data. The difference in mean annual temperature between "cold" and "warm" periods is estimated at 3.2 °C, with a greater increase in temperature during winter (+3 °C) than during summer (+1 °C). During "cold" periods the climate was more Oceanic (although preserving some dryness during the summers), whereas during "warm" periods the climate became Mediterranean (with mild winters and a long period of dryness in the summer and early autumn). Though higher during cold periods, the continentality (or atmospheric temperature range) remained roughly similar, in accordance with the geographical location of the site in the centre of the Iberian Peninsula. A greater amount of open landscape occurred during "cold" periods, whereas during "warm" periods the wooded areas expanded from 20% to 40% of the landscape surface. Such climatic/environmental changes, together with the numeric datings of the site, suggest that this shift may correspond to the transition from MIS 8 to MIS 7, also called Termination III.

Effect of water content on specific heat capacity of porcine septum cartilage

NASA Astrophysics Data System (ADS)

Chae, Yongseok; Lavernia, Enrique J.; Wong, Brian J.

2002-06-01

The effect of water content on specific heat capacity was examined using temperature modulated Differential Scanning Calorimetry (TMDSC). This research was motivated in part by the development laser cartilage reshaping operations, which use photothermal heating to accelerate stress relaxation and shape change. Deposition of thermal energy leads to mechanical stress relaxation and redistribution of cartilage internal stresses, which may lead to a permanent shape change. The specific heat of cartilage specimens (dia: 3 mm and thickness 1-2 mm) was measured using a heating rate of 2 degree(s)C/min for conventional DSC and 2 degree(s)C/min with an amplitude 0.38-0.45 degree(s)C and a period 60-100 sec for TMDSC. The amount of water in cartilaginous tissue was determined using thermogravimetry analysis (TGA) under ambient conditions. In order to correlate changes in heat flow with alterations in cartilage mechanical behavior, dynamic mechanical temperature analysis (DMTA) was used to estimate the specific transition temperatures where stress relaxation occurs. With decreasing water content, we identified a phase transition that shifted to a higher temperature after 35-45% water content was measured. The phase transition energy increased from 0.12 J/g to 1.68 J/g after a 45% weight loss. This study is a preliminary investigation focused on understanding the mechanism of the stress relaxation of cartilage during heating. The energy requirement of such a transition estimated using TMDSC and temperature range, where cartilage shape changes likely occur, was estimated.

Experimental characterization and modeling of isothermal and nonisothermal physical aging in glassy polymer films

NASA Astrophysics Data System (ADS)

Guo, Yunlong

This dissertation focuses on nonisothermal physical aging of polymers from both experimental and theoretical aspects. The study concentrates on pure polymers rather than fiber-reinforced composites; this step removes several complicating factors to simplify the study. It is anticipated that the findings of this work can then be applied to composite materials applications. The physical aging tests in this work are performed using a dynamic mechanical analyzer (DMA). The viscoelastic response of glassy polymers under various loading and thermal histories are observed as stress-strain data at a series of time points. The first stage of the experimental work involves the characterization of the isothermal physical aging behavior of two advanced thermoplastics. The second stage conducts tests on the same materials with varying thermal histories and with long-term test duration. This forms the basis to assess and modify a nonisothermal physical aging model (KAHR-ate model). Based on the experimental findings, the KAHR-ate model has been revised by new correlations between aging shift factors and volume response; this revised model performed well in predicting the nonisothermal physical aging behavior of glassy polymers. In the work on isothermal physical aging, short-term creep and stress relaxation tests were performed at several temperatures within 15-35°C below the glass transition temperature (Tg) at various aging times, using the short-term test method established by Struik. Stress and strain levels were such that the materials remained in the linear viscoelastic regime. These curves were then shifted together to determine momentary master curves and shift rates. In order to validate the obtained isothermal physical aging behavior, the results of creep and stress relaxation testing were compared and shown to be consistent with one another using appropriate interconversion of the viscoelastic material functions. Time-temperature superposition of the master curves was also performed. The temperature shift factors and aging shift rates for both PEEK and PPS were consistent for both creep and stress relaxation test results. Nonisothermal physical aging was monitored by sequential short-term creep tests after a series of temperature jumps; the resulting strain histories were analyzed to determine aging shift factors (ate) for each of the creep tests. The nonisothermal aging response was predicted using the KAHR-ate model, which combines the KAHR model of volume recovery with a suitable linear relationship between aging shift factors and specific volume. The KAHR-ate model can be utilized to both predict aging response and to determine necessary model parameters from a set of aging shift factor data. For the PEEK and PPS materials considered in the current study, predictions of mechanical response were demonstrated to be in good agreement with the experimental results for several complicated thermal histories. In addition to short-term nonisothermal aging, long-term creep tests under identical thermal conditions were also analyzed. Effective time theory was unitized to predict long-term response under both isothermal and nonisothermal temperature histories. The long-term compliance after a series of temperature changes was predicted by the KAHR- ate model, and the theoretical predictions and experimental data showed good agreement for various thermal histories. Lastly, physical aging behavior of PPS near the glass transition temperature was investigated, in order to observe the mechanical response in the process of the evolution of the material into equilibrium. At several temperatures near Tg, the time need to reach equilibrium were determined by the creep test results at various aging times. In addition to isothermal physical aging, mechanical shift factors in the period of approaching equilibrium at a common temperature after temperature up-jumps and down-jumps are monitored from creep tests; prior to these temperature jumps, the materials were aged to reach equilibrium states. From these tests, asymmetry of approaching equilibrium phenomenon in ate was observed, which is first-time reported in the literature. This finding shows the similarity between the thermodynamic and mechanical properties during structural relaxation. This work will lead to improved understanding of the viscoelastic behavior of glassy polymers, which is important for better understanding and design of PMCs in elevated temperature applications. With the above findings, this dissertation deals with nonisothermal physical aging of glassy polymers, including both experimental characterization and constructing a framework for predictions of mechanical behavior of polymeric materials under complicated thermal conditions. (Abstract shortened by UMI.)

Study of hydrogen bonding in ethanol-water binary solutions by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Li, Fabing; Men, Zhiwei; Li, Shuo; Wang, Shenghan; Li, Zhanlong; Sun, Chenglin

2018-01-01

Raman spectra of ethanol-water binary solutions have been observed at room temperature and atmospheric pressure. We find that with increasing ethanol concentration, the symmetric and asymmetric Osbnd H stretching vibrational mode (3286 and 3434 cm- 1) of water are shifted to lower frequency and the weak shoulder peak at 3615 cm- 1 (free OH) disappears. These results indicate that ethanol strengthens hydrogen bonds in water. Simultaneously, our experiment shows that Raman shifts of ethanol reverses when the volume ratio of ethanol and the overall solution is 0.2, which demonstrates that ethanol-water structure undergoes a phase transition.

[Structure and luminescence properties of Ga2O3 : Cr3+ by Al doping].

PubMed

Wang, Xian-Sheng; Wan, Min-Hua; Wang, Yin-Hai; Zhao, Hui; Hu, Zheng-Fa; Li, Hai-Ling

2013-11-01

The Al doping gallate phosphor (Ga(1-x)Al(x))2O3 : Cr3+ (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5) was synthesized by a high temperature solid-state reaction method. The X-ray diffractions show that the phase of the phosphors remains to be Ga2 O3 structure with increase in the contents of Al3+ ion. Beside, the fact that the X-ray diffraction peak shifts towards big angles with increasing Al3+ ions content shows that Al3+ ions entered the Ga2 O3 lattice. The peaks of the excitation spectra located at 258, 300, 410 and 550 nm are attributed to the band to band transition of the matrix, charge transfer band transition, and 4A2 --> 4T1 and 4A2 --> 4T2 transition of Cr3+ ions, respectively. Those excitation spectrum peak positions show different degrees of blue shift with the increase in the Al3+ ions content. The blue shift of the first two peaks are due to the band gap energy of substrate and the electronegativity between Cr3+ ions and ligands increasing, respectively. The blue shift of the energy level transition of Cr3+ ion is attributed to crystal field strength increasing. The Cr3+ ion luminescence changes from a broadband emission to a narrow-band emission with Al3+ doping, because the emission of Cr3+ ion changed from 4 T2 --> 4A2 to 2E --> 4A2 transition with the crystal field change after Al3+ ions doping. The Al3+ ions doping improved the long afterglow luminescence properties of samples, and the sample showed a longer visible near infrared when Al3+ ions content reaches 0.5. The thermoluminescence curve shows the sample with suitable trap energy level, and this is also the cause of the long afterglow luminescence materials.

Facile synthesis of luminescent carbon dots from mangosteen peel by pyrolysis method

NASA Astrophysics Data System (ADS)

Aji, Mahardika Prasetya; Susanto; Wiguna, Pradita Ajeng; Sulhadi

2017-06-01

Carbon dots (C-Dots) from mangosteen peel has been synthesized by pyrolysis method. Synthesis of C-Dots is done using precursor solution which is prepared from extract of mangosteen peel as carbon source and urea as passivation agent. C-Dots is successfully formed with absorbance spectra at wavelength 350-550 nm. Urea affects to the formed C-Dots, while the absorbance and the luminescent spectra are independent toward urea. C-Dots from extract of mangosteen peel has size in range 2-15 nm. The absorbance peaks of C-Dots shows significant wavelength shift at visible region as the increasing of synthesized temperature. Shift of wavelength absorbance indicates the change of electronic transition of C-Dots. Meanwhile, the luminescent of C-Dots can be controlled by synthesized temperature as well. C-Dots luminescent were increasing as higher synthesized temperature. It was shown by the shift of wavelength emission into shorter wavelength, 465 nm at 200 °C, 450 nm at 250 °C, and 423 nm at 300 °C. Synthesized temperature also affects size of C-Dots. It has size 10-15 nm at 200 °C, 7-11 nm at 250 °C and 2-4 nm at 300 °C. In addition, temperature corresponds to the structure of carbon chains and C-N configuration of formed C-Dots from mangosteen peel extract.

Frustrated ground state in the metallic Ising antiferromagnet Nd2Ni2In

NASA Astrophysics Data System (ADS)

Sala, G.; Mašková, S.; Stone, M. B.

2017-10-01

We used inelastic neutron scattering measurements to examine the intermetallic Ising antiferromagnet Nd2Ni2In . The dynamical structure factor displays a spectrum with multiple crystal field excitations. These crystal field excitations consist of a set of four transitions covering a range of energies between 4 and 80 meV. The spectrum is very sensitive to the temperature, and we observed a softening and a shift in the energies above the transition temperature of the system. The analysis of the crystalline electric field scheme confirms the Ising nature of the spins and their orientation as proposed by previous studies. We characterized Nd2Ni2In as a large moment intermetallic antiferromagnet with the potential to support a geometrically frustrated Shastry-Sutherland lattice.

Radio-frequency measurements of UNiX compounds (X=Al, Ga, Ge) in high magnetic fields

NASA Astrophysics Data System (ADS)

Alsmadi, A. M.; Alyones, S.; Mielke, C. H.; McDonald, R. D.; Zapf, V.; Altarawneh, M. M.; Lacerda, A.; Chang, S.; Adak, S.; Kothapalli, K.; Nakotte, H.

2009-11-01

We performed radio-frequency (RF) skin-depth measurements of antiferromagnetic UNiX compounds (X=Al, Ga, Ge) in magnetic fields up to 60 T and at temperatures between 1.4 to ~60 K. Magnetic fields are applied along different crystallographic directions and RF penetration-depth was measured using a tunnel-diode oscillator (TDO) circuit. The sample is coupled to the inductive element of a TDO resonant tank circuit, and the shift in the resonant frequency Δ f of the circuit is measured. The UNiX compounds exhibit field-induced magnetic transitions at low temperatures, and those transitions are accompanied by a drastic change in Δ f. The results of our skin-depth measurements were compared with previously published B- T phase diagrams for these three compounds.

Investigation of the strain-sensitive superconducting transition of BaFe1.8Co0.2As2 thin films utilizing piezoelectric substrates

NASA Astrophysics Data System (ADS)

Trommler, S.; Hänisch, J.; Iida, K.; Kurth, F.; Schultz, L.; Holzapfel, B.; Hühne, R.

2014-05-01

The preparation of biaxially textured BaFe1.8Co0.2As2 thin films has been optimized on MgO single crystals and transfered to piezoelectric (001) Pb(Mg1/3Nb2/3)0.72Ti0.28O3 substrates. By utilizing the inverse piezoelectric effect the lattice parameter of these substrates can be controlled applying an electric field, leading to a induction of biaxial strain into the superconducting layer. High electric fields were used to achieve a total strain of up to 0.05% at low temperatures. A sharpening of the resistive transition and a shift of about 0.6 K to higher temperatures was found at a compressive strain of 0.035%.

Self-preservation and structural transition of gas hydrates during dissociation below the ice point: an in situ study using Raman spectroscopy

NASA Astrophysics Data System (ADS)

Zhong, Jin-Rong; Zeng, Xin-Yang; Zhou, Feng-He; Ran, Qi-Dong; Sun, Chang-Yu; Zhong, Rui-Qin; Yang, Lan-Ying; Chen, Guang-Jin; Koh, Carolyn A.

2016-12-01

The hydrate structure type and dissociation behavior for pure methane and methane-ethane hydrates at temperatures below the ice point and atmospheric pressure were investigated using in situ Raman spectroscopic analysis. The self-preservation effect of sI methane hydrate is significant at lower temperatures (268.15 to 270.15 K), as determined by the stable C-H region Raman peaks and AL/AS value (Ratio of total peak area corresponding to occupancies of guest molecules in large cavities to small cavities) being around 3.0. However, it was reduced at higher temperatures (271.15 K and 272.15 K), as shown from the dramatic change in Raman spectra and fluctuations in AL/AS values. The self-preservation effect for methane-ethane double hydrate is observed at temperatures lower than 271.15 K. The structure transition from sI to sII occurred during the methane-ethane hydrate decomposition process, which was clearly identified by the shift in peak positions and the change in relative peak intensities at temperatures from 269.15 K to 271.15 K. Further investigation shows that the selectivity for self-preservation of methane over ethane leads to the structure transition; this kind of selectivity increases with decreasing temperature. This work provides new insight into the kinetic behavior of hydrate dissociation below the ice point.

Spin crossover behaviour in Hofmann-like coordination polymer Fe(py)2[Pd(CN)4] with 57Fe Mössbauer spectra

NASA Astrophysics Data System (ADS)

Kitazawa, Takafumi; Kishida, Takanori; Kawasaki, Takeshi; Takahashi, Masashi

2017-11-01

We have prepared the 2D spin crossover complexes Fe(L)2Pd(CN)4 (L = py : 1a; py-D5 : 1b and py-15N : 1c). 1a has been characterised by 57Fe Mossbauer spectroscopic measurements, single crystal X-ray determination and SQUID measurements. The Mössbauer spectra for 1a indicate that the iron(II) spin states are in high spin states at 298 K and are in low spin states at 77 K. The crystal structures of 1a at 298 K and 90 K also show the high spin state and the low spin state respectively, associated with the Fe(II)-N distances. The spin transition temperature range of 1a is higher than that of Fe(py)2Ni(CN)4 since Pd(II) ions are larger and heavier than Ni(II) ions. SQUID data indicate isotope effects among 1a, 1b and 1c are observed in very small shifts of the transition temperatures probably due to larger and heavier Pd(II) ions. The delicate shifts would be associated with subtle balances between different vibrations around Fe(II) atoms and electronic factors.

Phase diagram of the CF{sub 4} monolayer and bilayer on graphite

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

Thomas, Petros; Hess, George B., E-mail: gbh@virginia.edu

2014-05-21

We report an experimental study of physisorbed monolayers and bilayers of CF{sub 4} on graphite using infrared reflection absorption spectroscopy supplemented by ellipsometry. The symmetric C–F stretch mode ν{sub 3} near 1283 cm{sup −1} in the gas is strongly blue shifted in the film by dynamic dipole coupling. This blue shift provides a very sensitive measure of the inter-molecular spacing in the monolayer and, less directly, in the bilayer. We find that important corrections are necessary to the volumetric coverage scales used in previous heat capacity and x-ray diffraction studies of this system. This requires quantitative and some qualitative changesmore » to the previously proposed phase diagram. We find evidence for a new phase transition in the middle of the hexagonal incommensurate region and construct new phase diagrams in both the variables coverage-temperature and chemical potential-temperature. We determine the compressibility and thermal expansion in the low-pressure hexagonal incommensurate phase and values for the entropy change in several phase transitions. Below about 55 K there is evidence of solution of up to 7% of an impurity, most likely CO, in our monolayer but not the bilayer film.« less

High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

NASA Astrophysics Data System (ADS)

Bishop, M. M.; Chellappa, R. S.; Liu, Z.; Preston, D. N.; Sandstrom, M. M.; Dattelbaum, D. M.; Vohra, Y. K.; Velisavljevic, N.

2014-05-01

1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ). In this study, we have investigated the high pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and α → β (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → (~210 °C), with the δ phase being stable up to ~251 °C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 °C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa.

Crystalline Gaq3Nanostructures: Preparation, Thermal Property and Spectroscopy Characterization

PubMed Central

2009-01-01

Crystalline Gaq31-D nanostructures and nanospheres could be fabricated by thermal evaporation under cold trap. The influences of the key process parameters on formation of the nanostructures were also investigated. It has been demonstrated that the morphology and dimension of the nanostructures were mainly controlled by working temperature and working pressure. One-dimensional nanostructures were fabricated at a lower working temperature, whereas nanospheres were formed at a higher working temperature. Larger nanospheres could be obtained when a higher working pressure was applied. The XRD, FTIR, and NMR analyses evidenced that the nanostructures mainly consisted of δ-phase Gaq3. Their DSC trace revealed two small exothermic peaks in addition to the melting endotherm. The one in lower temperature region was ascribed to a transition from δ to β phase, while another in higher temperature region could be identified as a transition from β to δ phase. All the crystalline nanostructures show similar PL spectra due to absence of quantum confinement effect. They also exhibited a spectral blue shift because of a looser interligand spacing and reduced orbital overlap in their δ-phase molecular structures. PMID:20596439

Noise-induced transitions and shifts in a climate-vegetation feedback model.

PubMed

Alexandrov, Dmitri V; Bashkirtseva, Irina A; Ryashko, Lev B

2018-04-01

Motivated by the extremely important role of the Earth's vegetation dynamics in climate changes, we study the stochastic variability of a simple climate-vegetation system. In the case of deterministic dynamics, the system has one stable equilibrium and limit cycle or two stable equilibria corresponding to two opposite (cold and warm) climate-vegetation states. These states are divided by a separatrix going across a point of unstable equilibrium. Some possible stochastic scenarios caused by different externally induced natural and anthropogenic processes inherit properties of deterministic behaviour and drastically change the system dynamics. We demonstrate that the system transitions across its separatrix occur with increasing noise intensity. The climate-vegetation system therewith fluctuates, transits and localizes in the vicinity of its attractor. We show that this phenomenon occurs within some critical range of noise intensities. A noise-induced shift into the range of smaller global average temperatures corresponding to substantial oscillations of the Earth's vegetation cover is revealed. Our analysis demonstrates that the climate-vegetation interactions essentially contribute to climate dynamics and should be taken into account in more precise and complex models of climate variability.

A biomarker record of temperature and phytoplankton community in Okinawa Trough since the last glacial maximum

NASA Astrophysics Data System (ADS)

Ruan, Jiaping

2017-04-01

A variety of biomarkers were examined from Ocean Drilling Program (ODP) core 1202B to reconstruct temperature and phytoplankton community structures in the southern Okinawa Trough for the past ca. 20000 years. Two molecular temperature proxies (Uk37 and TEX86) show 5-6 ℃ warming during the glacial/interglacial transition. Prior to the Holocene, the Uk37-derived temperature was generally 1-4 ℃ higher than TEX86-derived temperature. This difference, however, was reduced to <1 ℃ in the Holocene when the Kuroshio Current was intensified. Correspondingly, the phytoplankton biomarkers (e.g., C37:2 alkenone, brassicasterol, C30 1,15-diols and dinosterol) suggest a shift of planktonic community assemblages with coccolithophorids becoming more abundant in the Holocene at the expense of diatoms/dinoflagellates. Such a shift is related to the variability of nutrient, temperature and salinity in the Okinawa Trough, controlled by the sea level and the intensity of Kuroshio Current. The phytoplankton community change may have profound implications on atmospheric CO2 fluctuations during glacial/interglacial cycles since diatoms and dinoflagellates have a higher efficiency of biological pump than coccolithophorids.

High-resolution Greenland ice core data show abrupt climate change happens in few years.

PubMed

Steffensen, Jørgen Peder; Andersen, Katrine K; Bigler, Matthias; Clausen, Henrik B; Dahl-Jensen, Dorthe; Fischer, Hubertus; Goto-Azuma, Kumiko; Hansson, Margareta; Johnsen, Sigfús J; Jouzel, Jean; Masson-Delmotte, Valérie; Popp, Trevor; Rasmussen, Sune O; Röthlisberger, Regine; Ruth, Urs; Stauffer, Bernhard; Siggaard-Andersen, Marie-Louise; Sveinbjörnsdóttir, Arny E; Svensson, Anders; White, James W C

2008-08-01

The last two abrupt warmings at the onset of our present warm interglacial period, interrupted by the Younger Dryas cooling event, were investigated at high temporal resolution from the North Greenland Ice Core Project ice core. The deuterium excess, a proxy of Greenland precipitation moisture source, switched mode within 1 to 3 years over these transitions and initiated a more gradual change (over 50 years) of the Greenland air temperature, as recorded by stable water isotopes. The onsets of both abrupt Greenland warmings were slightly preceded by decreasing Greenland dust deposition, reflecting the wetting of Asian deserts. A northern shift of the Intertropical Convergence Zone could be the trigger of these abrupt shifts of Northern Hemisphere atmospheric circulation, resulting in changes of 2 to 4 kelvin in Greenland moisture source temperature from one year to the next.

On the effects of irradiation and helium on the yield stress changes and hardening and non-hardening embrittlement of ˜8Cr tempered martensitic steels: Compilation and analysis of existing data

NASA Astrophysics Data System (ADS)

Yamamoto, Takuya; Odette, G. Robert; Kishimoto, Hirotatsu; Rensman, Jan-Willem; Miao, Pifeng

2006-09-01

Data on irradiation hardening and embrittlement of 8-10Cr normalized and tempered martensitic steel (TMS) alloys has been compiled from the literature, including results from neutron, spallation proton (SP) and He-ion (HI) irradiations. Limitations of this database are briefly described. Simple, phenomenological-empirical fitting models were used to assess the dose (displacement-per-atom, dpa), irradiation temperature ( Ti) and test temperature ( Tt) dependence of yield stress changes (Δ σy), as well as the corresponding dependence of sub-sized Charpy V-notch impact test transition temperature shifts (Δ Tc). The Δ σy are generally similar for SP and neutron irradiations, with very high and low helium to dpa ratios, respectively. Further, the Δ σy trends were found to be remarkably consistent with the Ti and dpa hardening-dependence of low alloy steels irradiated at much lower doses. The similar Ti and (low) dose dependence of Δ σy and Δ Tc, as well as an analysis of paired Δ Tc-Δ σy datasets, show that embrittlement is typically dominated by a hardening mechanism below about 400 °C. However, the corresponding hardening-Charpy shift coefficient, Cc = Δ Tc/Δ σy ≈ 0.38 ± 0.18 °C/MPa is lower than that for the fracture toughness reference temperature, T0, with Δ T0/Δ σy ≈ 0.58 ± 0.1 °C/MPa, indicating that sub-sized Charpy tests provide non-conservative estimates of embrittlement. The Cc increases at Ti > 400 °C, and Δ Tc > 0 are sometimes observed in association with Δ σy ⩽ 0, indicative of a non-hardening embrittlement (NHE) contribution. Analysis of limited data on embrittlement due to thermal aging supports this conclusion, and we hypothesize that the NHE regime may be shifted to lower temperatures by radiation enhanced diffusion. Possible effects of helium on embrittlement for Ti between 300 and 400 °C are also assessed based on observed trends in Cc. The available data is limited, scattered, and potentially confounded. However, collectively the database suggests that there is a minimal NHE due to helium up to several hundred appm. However, a contribution of helium to NHE appears to emerge at higher helium concentrations, estimated to be more than 400-600 appm. This is accompanied by a transition from transgranular cleavage (TGC) to intergranular fracture (IGF). IGF generally occurs only at high Δ σy. Synergistic combinations of large Δ σy and severe NHE, due to helium weakening of grain boundaries, could lead to very large transition temperature shifts in first wall and blanket structures at fusion spectrum dose levels above 50-75 dpa and in SP irradiations at much lower doses.

The Fluctuating Bond Model, a Glue for Cuprate Superconductivity?

NASA Astrophysics Data System (ADS)

Newns, Dennis

2008-03-01

Twenty years of research have yet to produce a consensus on the origin of high temperature superconductivity (HTS). The mechanism of HTS - which originates in the CuO2 plane, common to all HTS families - can be constrained by some key experimental facts regarding superconducting and pseudogap behaviors. Superconductivity, involving a Tc of order 100 K, exhibits an unusual d-wave superconducting gap, with Fermi liquid nodal excitations, and an anomalous doping- dependent oxygen isotope shift. A ``pseudogap,'' also with d-symmetry, leads to a dip in the density of states below a characteristic temperature scale T^*, which has a negative isotope shift; we associate the pseudogap with the recently observed spatially inhomogeneous (nanometer- scale) C4 symmetry breaking. The isotope shifts and other evidence imply a key role for oxygen vibrations, but conventional BCS single-phonon coupling is essentially forbidden by symmetry and by the on-site Coulomb interaction U. In a novel approach, we introduce a model based on a strong, local, nonlinear interaction between electrons within the Cu-O-Cu bond in the CuO2 plane, and the oxygen vibrational degrees of freedom, termed the Fluctuating Bond Model (FBM) [D.M. Newns and C.C. Tsuei, Nature Physics 3, 184 (2007)]. In mean field the model predicts a phase manifesting broken C4 symmetry, with a d-type pseudogap, and an upper phase boundary in temperature, with a negative isotope shift, which we identify with T^*. An intrinsic d-wave pairing tendency is found, leading to a transition temperature dome and an anomalous isotope shift similar to that found experimentally. The softening in the oxygen vibrational frequency below Tc, seen in Raman and neutron spectra, has a natural explanation in the FBM. Recent ab initio calculations have been implemented which provide microscopic support for the model.

Superconductivity at 52.5 K in the lanthanum-barium-copper-oxide system

NASA Technical Reports Server (NTRS)

Chu, C. W.; Hor, P. H.; Meng, R. L.; Gao, L.; Huang, Z. J.

1987-01-01

The electrical properties of the (La/0/9/Ba/0.1/)CuO/4-y/ system are examined under ambient and hydrostatic pressures. The resistance, ac magnetic susceptibility, and superconductivity onset, midpoint, and intercept temperatures are measured. It is observed that at ambient pressure the resistance decreases with temperature decreases, and the ac susceptibility shows diamagnetic shifts starting at about 32 K. Under hydrostatic pressure a superconducting transition with an onset temperature of 52.5 K is observed, and the resistance increases at lower temperatures. The data reveal that the electrical properties of the La-Ba-Cu-O system are dependent on samples and preparation conditions. Various causes for the high temperature superconductivity of the system are proposed.

Cretaceous-Tertiary boundary in the Antarctic: Climatic cooling precedes biotic crisis

NASA Technical Reports Server (NTRS)

Stott, Lowell D.; Kennett, James P.

1988-01-01

Stable isotopic investigations were conducted on calcareous microfossils across two deep sea Cretaceous-Tertiary boundary sequences on Maud Rise, Weddell Sea, Antarctica. The boundary is taken at the level of massive extinctions in calcareous planktonic microfossils, and coincides with a sharp lithologic change from pure calcareous ooze to calcareous ooze with a large volcanic clay component. The uppermost Maestrichtian is marked by a long-term decrease in delta value of 0 to 18 which spans most of the lower and middle A. mayaroensis Zone and represents a warming trend which culminated in surface water temperatures of about 16 C. At approximately 3 meters below the K-T boundary this warming trend terminates abruptly and benthic and planktonic isotopic records exhibit a rapid increase in delta value of 0 to 18 that continues up to the K-T boundary. The trend towards cooler surface water temperatures stops abruptly at the K-T boundary and delta value of 0 to 18 values remain relatively stable through the Paleocene. Comparison of the Antarctic sequence with the previously documented deep sea records in the South Atlantic reveal shifts of similar magnitude in the latest Maestrichtian. It is indicated that the Southern Ocean underwent the most significant, and apparently permanent, climatic change. The latest Cretaceous oxygen isotopic shift recorded at Maud Rise and other deep sea sites is similar in magnitude to large positive delta valve of 0 to 18 shifts in the middle Eocene, at the Eocene/Oligocene boundary and in the middle Miocene that marked large scale climatic transitions which ultimately lead to cryospheric development of the Antarctic. The climatic shift at the end of the Cretaceous represents one of the most significant climatic transitions recorded in the latest Phanerozoic and had a profound effect on global climate as well as oceanic circulation.

Pair Identity and Smooth Variation Rules Applicable for the Spectroscopic Parameters of H2O Transitions Involving High-J States

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

2010-01-01

Two basic rules (i.e. the pair identity and the smooth variation) applicable for H2O transitions involving high-J states have been discovered. The origins of these rules are the properties of the energy levels and wavefunctions of H2O states with the quantum number J above certain boundaries. As a result, for lines involving high-J states in individually defined groups, all their spectroscopic parameters (i.e. the transition wavenumber, intensity, pressure-broadened half-width, pressure-induced shift, and temperature exponent) must follow these rules. One can use these rules to screen spectroscopic data provided by databases and to identify possible errors. In addition, by using extrapolation methods within the individual groups, one is able to predict the spectroscopic parameters for lines in this group involving very high-J states. The latter are required in developing high-temperature molecular spectroscopic databases such as HITEMP.

Mg-doped VO2 nanoparticles: hydrothermal synthesis, enhanced visible transmittance and decreased metal-insulator transition temperature.

PubMed

Zhou, Jiadong; Gao, Yanfeng; Liu, Xinling; Chen, Zhang; Dai, Lei; Cao, Chuanxiang; Luo, Hongjie; Kanahira, Minoru; Sun, Chao; Yan, Liuming

2013-05-28

This paper reports the successful preparation of Mg-doped VO2 nanoparticles via hydrothermal synthesis. The metal-insulator transition temperature (T(c)) decreased by approximately 2 K per at% Mg. The Tc decreased to 54 °C with 7.0 at% dopant. The composite foils made from Mg-doped VO2 particles displayed excellent visible transmittance (up to 54.2%) and solar modulation ability (up to 10.6%). In addition, the absorption edge blue-shifted from 490 nm to 440 nm at a Mg content of 3.8 at%, representing a widened optical band gap from 2.0 eV for pure VO2 to 2.4 eV at 3.8 at% doping. As a result, the colour of the Mg-doped films was modified to increase their brightness and lighten the yellow colour over that of the undoped-VO2 film. A first principle calculation was conducted to understand how dopants affect the optical, Mott phase transition and structural properties of VO2.

Viscoelastic properties of addition-cured polyimides used in high temperature polymer matrix composites

NASA Technical Reports Server (NTRS)

Roberts, Gary D; Malarik, Diane C.; Robaidek, Jerrold O.

1991-01-01

Viscoelastic properties of the addition cured polyimide, PMR-15, were studied using dynamic mechanical and stress relaxation tests. For temperatures below the glass transition temperature, T sub g, the dynamic mechanical properties measured using a temperature scan rate of 10 C/min were strongly affected by the presence of absorbed moisture in the resin. Dynamic mechanical properties measured as a function of time during an isothermal hold provided an indication of chemical changes occurring in the resin. For temperatures above (T sub g + 20 C), the storage modulus increased continuously as a function of time indicating that additional crosslinking is occurring in the resin. Because of these changes in chemical structures, the stress relaxation modulus could not be measured over any useful time interval for temperatures above T sub g. For temperatures below T sub g, dynamic mechanical properties appeared to be unaffected by chemical changes for times exceeding 1 hr. Since the duration of the stress relaxation tests was less than 1 hr, the stress relaxation modulus could be measured. As long as the moisture content of the resin was less than 2 pct, stress relaxation curves measured at different temperatures could be superimposed using horizontal shifts along the log(time) axis with only small shifts along the vertical axis.

Boundary layer transition detection on the X-15 vertical fin using surface-pressure-fluctuation measurements

NASA Technical Reports Server (NTRS)

Lewis, T. L.; Banner, R. D.

1971-01-01

A flush-mounted microphone on the vertical fin of an X-15 airplane was used to investigate boundary layer transition phenomenon during flights to peak altitudes of approximately 70,000 meters. The flight results were compared with those from wind tunnel studies, skin temperature measurements, and empirical prediction data. The Reynolds numbers determined for the end of transition were consistent with those obtained from wind tunnel studies. Maximum surface-pressure-fluctuation coefficients in the transition region were about an order of magnitude greater than those for fully developed turbulent flow. This was also consistent with wind tunnel data. It was also noted that the power-spectral-density estimates of the surface-pressure fluctuations were characterized by a shift in power from high frequencies to low frequencies as the boundary layer changed from turbulent to laminar flow. Large changes in power at the lowest frequencies appeared to mark the beginning of transition.

Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase

DOE PAGES

Yibole, H.; Pathak, A. K.; Mudryk, Y.; ...

2018-05-24

A first-order magnetoelastic transition (FOMT) is found near the triple point between ferromagnetic, antiferromagnetic and paramagnetic phases in the magneto-chemical phase diagram of (Hf1-xNbx)Fe2 Laves phase system. We show that bringing different magnetic states to the edge of stability, both as a function of the chemical composition and under the influence of external stimuli, such as temperature, pressure and magnetic field, is essential to obtain and control FOMTs. Temperature dependent X-ray diffraction experiments reveal a discontinuity in the lattice parameter a and the unit cell volume without the change in the crystal symmetry at the FOMT. Under applied pressure, themore » transition temperature drastically shifts downward at a remarkable rate of –122 K/GPa. It is this first-order magnetic transition that leads to a negative thermal expansion (NTE) with average ΔV/(VΔT) ≈ –15 × 10 –6 K –1 observed over a 90 K broad temperature range, which is uncommon for magnetoelastic NTE materials. Density functional theory calculations and microstructural analyses demonstrate that the unusual broadness of the FOMT originates from phase separation between ferro- and antiferromagnetic phases, which in turn is rooted in partial segregation of Hf and Nb and a peculiar microstructure. In conclusion, this new understanding of the composition-structure-property relationships in transition metal based Laves phases is an essential step toward a better control and more precise tailoring of rich functionalities in this group of material.« less

Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase

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

Yibole, H.; Pathak, A. K.; Mudryk, Y.

A first-order magnetoelastic transition (FOMT) is found near the triple point between ferromagnetic, antiferromagnetic and paramagnetic phases in the magneto-chemical phase diagram of (Hf1-xNbx)Fe2 Laves phase system. We show that bringing different magnetic states to the edge of stability, both as a function of the chemical composition and under the influence of external stimuli, such as temperature, pressure and magnetic field, is essential to obtain and control FOMTs. Temperature dependent X-ray diffraction experiments reveal a discontinuity in the lattice parameter a and the unit cell volume without the change in the crystal symmetry at the FOMT. Under applied pressure, themore » transition temperature drastically shifts downward at a remarkable rate of –122 K/GPa. It is this first-order magnetic transition that leads to a negative thermal expansion (NTE) with average ΔV/(VΔT) ≈ –15 × 10 –6 K –1 observed over a 90 K broad temperature range, which is uncommon for magnetoelastic NTE materials. Density functional theory calculations and microstructural analyses demonstrate that the unusual broadness of the FOMT originates from phase separation between ferro- and antiferromagnetic phases, which in turn is rooted in partial segregation of Hf and Nb and a peculiar microstructure. In conclusion, this new understanding of the composition-structure-property relationships in transition metal based Laves phases is an essential step toward a better control and more precise tailoring of rich functionalities in this group of material.« less

Tunable two-dimensional photonic crystals using liquid crystal infiltration

NASA Astrophysics Data System (ADS)

Leonard, S. W.; Mondia, J. P.; van Driel, H. M.; Toader, O.; John, S.; Busch, K.; Birner, A.; Gösele, U.; Lehmann, V.

2000-01-01

The photonic band gap of a two-dimensional photonic crystal is continuously tuned using the temperature dependent refractive index of a liquid crystal. Liquid crystal E7 was infiltrated into the air pores of a macroporous silicon photonic crystal with a triangular lattice pitch of 1.58 μm and a band gap wavelength range of 3.3-5.7 μm. After infiltration, the band gap for the H polarized field shifted dramatically to 4.4-6.0 μm while that of the E-polarized field collapsed. As the sample was heated to the nematic-isotropic phase transition temperature of the liquid crystal (59 °C), the short-wavelength band edge of the H gap shifted by as much as 70 nm while the long-wavelength edge was constant within experimental error. Band structure calculations incorporating the temperature dependence of the liquid crystal birefringence can account for our results and also point to an escaped-radial alignment of the liquid crystal in the nematic phase.

Luminescence diagnostics of conformational changes of the Hsp70 protein in the course of thermal denaturation

NASA Astrophysics Data System (ADS)

Bukina, M. N.; Bakulev, V. M.; Barmasov, A. V.; Zhakhov, A. V.; Ishchenko, A. M.

2015-06-01

The spectral luminescence properties of aqueous solutions of the Hsp70 protein are studied, the dependence of the luminescence spectrum on the excitation wavelength is revealed, and the temperature dependence of luminescence intensity of tyrosine and tryptophan residues in the temperature interval of 20-80° C is analyzed. The luminescence method is used to determine temperature interval (42-57° C) in which protein melting takes place. An increase in the fluorescence quantum yield of tryptophan and the bathochromic shift of the emission spectrum of denatured Hsp70 prove that transition takes place of tryptophanyls to the surface of the protein molecule.

The possibility of a tipping point in the Arctic sea ice cover, and associated early-warning signals

NASA Astrophysics Data System (ADS)

Jastamin Steene, Rebekka

2017-04-01

As the Arctic sea ice has become one of the primer indicators of global climate change, with a seemingly accelerated loss in both ice extent and volume the latest decades, the existence of a tipping point related to the Arctic sea ice cover has been widely debated. Several observed and potential abrupt transitions in the climate system may be interpreted as bifurcations in randomly driven dynamical systems. This means that a system approaching a bifurcation point shifts from one stable state to another, and we say that the system is subject to a critical transition. As the equilibrium states become unstable in the vicinity of a bifurcation point the characteristic relaxation times increases, and the system is said to experience a "critical slowing down". This makes it plausible to observe so called early-warning signals (EWS) when approaching a critical transition. In the Arctic non-linear mechanisms like the temperature response of the ice-albedo feedback can potentially cause a sudden shift to an ice-free Arctic Ocean. Using bifurcation theory and potential analyses we examine time series of observational data of the Arctic sea ice, investigating the possibility of multiple states in the behavior of the ice cover. We further debate whether a shift between states is irreversible, and whether it can be preluded by early-warning signals.

Frequency Invariability of (Pb,La)(Zr,Ti)O₃ Antiferroelectric Thick-Film Micro-Cantilevers.

PubMed

An, Kun; Jin, Xuechen; Meng, Jiang; Li, Xiao; Ren, Yifeng

2018-05-13

Micro-electromechanical systems comprising antiferroelectric layers can offer both actuation and transduction to integrated technologies. Micro-cantilevers based on the (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ (PLZT) antiferroelectric thick film are fabricated by the micro-nano manufacturing process, to utilize the effect of phase transition induced strain and sharp phase switch of antiferroelectric materials. When micro-cantilevers made of antiferroelectric thick films were driven by sweep voltages, there were two resonant peaks corresponding to the natural frequency shift from 27.8 to 27.0 kHz, before and after phase transition. This is the compensation principle for the PLZT micro-cantilever to tune the natural frequency by the amplitude modulation of driving voltage, rather than of frequency modulation. Considering the natural frequency shift about 0.8 kHz and the frequency tuning ability about 156 Hz/V before the phase transition, this can compensate the frequency shift caused by increasing temperature by tuning only the amplitude of driving voltage, when the ultrasonic micro-transducer made of antiferroelectric thick films works for such a long period. Therefore, antiferroelectric thick films with hetero-structures incorporated into PLZT micro-cantilevers not only require a lower driving voltage (no more than 40 V) than rival bulk piezoelectric ceramics, but also exhibit better performance of frequency invariability, based on the amplitude modulation.

The effect of combination of magnetic field and low temperature on doped quantum wells

NASA Astrophysics Data System (ADS)

de P. Abreu, E.; Serra, R. M.; Emmel, P. D.

2001-10-01

In this work, we study in the optical absorption of lightly doped and compensated GaAs-GaAlAs quantum wells in the presence of applied magnetic field at low temperatures. The maximum values of magnetic field and temperature are chosen to be 10 T and 5 K, respectively. The wave functions and energies of electrons bound to impurities are calculated variationally using hydrogen-like functions. The absorption coefficient is computed through the use of Fermi golden rule and the statistics of this system is made by a self-consistent calculation of the electrostatic potential generated by ionized impurities, while the convergence parameter is the electronic chemical potential. We focus our attention on 1s→2p ± transitions. The results show that the range of frequency absorbed by the system stays unaltered in 1s→2p - transition and changes for the 1s→2p + transition, presenting a shift to higher frequencies as the magnetic field increases. Another important result is the decrease of the absorption coefficient for the lowest part of the frequency range as the temperature decreases, turning the material almost transparent for those frequencies. This kind of information may be useful for further diagnosis of quantum well systems.

Laser frequency stabilization and shifting by using modulation transfer spectroscopy

NASA Astrophysics Data System (ADS)

Cheng, Bing; Wang, Zhao-Ying; Wu, Bin; Xu, Ao-Peng; Wang, Qi-Yu; Xu, Yun-Fei; Lin, Qiang

2014-10-01

The stabilizing and shifting of laser frequency are very important for the interaction between the laser and atoms. The modulation transfer spectroscopy for the 87Rb atom with D2 line transition F = 2 → F' = 3 is used for stabilizing and shifting the frequency of the external cavity grating feedback diode laser. The resonant phase modulator with electro—optical effect is used to generate frequency sideband to lock the laser frequency. In the locking scheme, circularly polarized pump- and probe-beams are used. By optimizing the temperature of the vapor, the pump- and probe-beam intensity, the laser linewidth of 280 kHz is obtained. Furthermore, the magnetic field generated by a solenoid is added into the system. Therefore the system can achieve the frequency locking at any point in a range of hundreds of megahertz frequency shifting with very low power loss.

Metal-Insulator Transition of strained SmNiO3 Thin Films: Structural, Electrical and Optical Properties

PubMed Central

Torriss, B.; Margot, J.; Chaker, M.

2017-01-01

Samarium nickelate (SmNiO3) thin films were successfully synthesized on LaAlO3 and SrTiO3 substrates using pulsed-laser deposition. The Mott metal-insulator (MI) transition of the thin films is sensitive to epitaxial strain and strain relaxation. Once the strain changes from compressive to tensile, the transition temperature of the SmNiO3 samples shifts to slightly higher values. The optical conductivity reveals the strong dependence of the Drude spectral weight on the strain relaxation. Actually, compressive strain broadens the bandwidth. In contrast, tensile strain causes the effective number of free carriers to reduce which is consistent with the d-band narrowing. PMID:28098240

Photogeneration of active formate decomposition catalysts to produce hydrogen from formate and water

DOEpatents

King, Jr., Allen D.; King, Robert B.; Sailers, III, Earl L.

1983-02-08

A process for producing hydrogen from formate and water by photogenerating an active formate decomposition catalyst from transition metal carbonyl precursor catalysts at relatively low temperatures and otherwise mild conditions is disclosed. Additionally, this process may be expanded to include the generation of formate from carbon monoxide and hydroxide such that the result is the water gas shift reaction.

Long-Term Viscoelastic Response of E-glass/Bismaleimide Composite in Seawater Environment

NASA Astrophysics Data System (ADS)

Yian, Zhao; Zhiying, Wang; Keey, Seah Leong; Boay, Chai Gin

2015-12-01

The effect of seawater absorption on the long-term viscoelastic response of E-glass/BMI composite is presented in this paper. The diffusion of seawater into the composite shows a two-stage behavior, dominated by Fickian diffusion initially and followed by polymeric relaxation. The Glass transition temperature (Tg) of the composite with seawater absorption is considerably lowered due to the plasticization effect. However the effect of water absorption at 50 °C is found to be reversible after drying process. The time-temperature superposition (TTS) was performed based on the results of Dynamic Mechanical Analysis to construct the master curve of storage modulus. The shift factors exhibit Arrhenius behavior when temperature is well below Tg and Vogel-Fulcher-Tammann (VFT) like behavior when temperature gets close to glass transition region. As a result, a semi-empirical formulation is proposed to account for the seawater absorption effect in predicting long-term viscoelastic response of BMI composites based on temperature dependent storage modulus and TTS. The predicted master curves show that the degradation of storage modulus accelerates with both seawater exposure and increasing temperature. The proposed formulation can be applied to predict the long-term durability of any thermorheologically simple composite materials in seawater environment.

Magnetic, Electrical and Dielectric Properties of LaMnO3+η Perovskite Manganite.

NASA Astrophysics Data System (ADS)

v, Punith Kumar; Dayal, Vijaylakshmi

The high pure polycrystalline LaMnO3+η perovskite manganite has been synthesized using conventional solid state reaction method. The studied sample crystallizes into orthorhombic O', phase indexed with Pbnm space group. The magnetization measurement exhibits that the studied sample shows paramagnetic (PM) to ferromagnetic (FM) phase transition at TC = 191.6K followed with a frustration due to antiferromagnetic (AFM) kind of spin ordering at low temperature, Tf = 85.8K. The electrical resistivity measurements carried out at 0 tesla and 8 tesla magnetic field exhibits insulating kind of behavior throughout the measured temperature range. The resistivity at 0 tesla exhibits low temperature FM insulator to high temperature PM insulator type phase transition at TC = 191.6K similarly as observed from magnetization measurement. The application of the magnetic field (8 tesla) shifts TC to higher temperature side and the charge transport follows Shklovskii Efros variable range hopping (SE VRH) mechanism. The temperature and frequency dependent dielectric permittivity studied for the sample exhibits relaxation process explained based on Debye +Maxwell-Wagner relaxation mechanism. Department of Atomic Energy-Board of Research in Nuclear Sciences, Government of INDIA.

Impact Properties of Irradiated HT9 from the Fuel Duct of FFTF

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

Byun, Thak Sang; Maloy, S; Toloczko, M

2012-01-01

This paper reports Charpy impact test data for the ACO-3 duct material (HT9) from the Fast Flux Test Facility (FFTF) and its archive material. Irradiation doses for the specimens were in the range of 3 148 dpa and irradiation temperatures in the range of 378 504 oC. The impact tests were performed for the small V-notched Charpy specimens with dimensions of 3 4 27 mm at an impact speed of 3.2 m/s in a 25J capacity machine. Irradiation lowered the upper-shelf energy (USE) and increased the transition temperatures significantly. The shift of transition temperatures was greater after relatively low temperaturemore » irradiation. The USE values were in the range of 5.5 6.7 J before irradiation and decreased to the range of 2 5 J after irradiation. Lower USEs were measured for lower irradiation temperatures and specimens with T-L orientation. For the irradiated specimens, the dose dependences of transition temperature and USE were not significant because of the radiation effect on impact behavior nearly saturated at the lowest dose of about 3 dpa. A comparison showed that the lateral expansion of specimens showed a linear correlation with absorbed impact energy, but with large scatter in the results. The size effect was also discussed to clarify the differences in the impact data of subsize and standard specimens.« less

An experimental study on the magnetic and exchange bias properties of selected Mn rich Ni-Mn-Ga based Heusler alloys

NASA Astrophysics Data System (ADS)

Albagami, Abdullah Mohamed

In this Thesis project, an experimental study on the magnetic and exchange bias properties of a series of polycrystalline Ni1.7-xMn1.7+x Ga0.6 alloys have been investigated by x-ray diffraction, dc magnetization, and ac susceptibility measurements. X-ray diffraction measurement showed that all prepared samples have a tetragonal L10 martensitic structure at room temperature. Scanning electron microscopy measurements show that the compounds are single phase. With increasing Mn concentration x, the lattice parameters marginally increases. The temperature dependence of magnetization data show two distinct transitions in the alloys. At lower temperatures, a peak in the data is observed while the ferromagnetic to paramagnetic transition occurs at higher temperatures. With increasing Mn concentration, the temperature of both transitions increases. Thermomagnetic irreversibility is observed in the magnetization data of all alloys. The ac susceptibility measurements on the materials show the existence of frequency dependence, which suggest that the thermomagnetic irreversibility in the magnetization data is due to the spin glass like ground state in the alloys. The spin glass like ground state with competing magnetic interactions result in the observation of double-shifted hysteresis loop and exchange bias effects in the alloys. The magnitude of the exchange bias field is strongly dependent on the cooling field.

Grain size effect on the electrical and magneto-transport properties of nanosized Pr0.67Sr0.33MnO3

NASA Astrophysics Data System (ADS)

Ng, S. W.; Lim, K. P.; Halim, S. A.; Jumiah, H.

2018-06-01

In this study, nanosized of Pr0.67Sr0.33MnO3 prepared via sol-gel method followed by heat treatment at 600-1000 °C in intervals of 100 °C were synthesized. The structure, surface morphology, electrical, magneto-transport and magnetic properties of the samples were investigated. Rietveld refinements of X-ray diffraction patterns confirm that single phase orthorhombic crystal structure with the space group of Pnma (62) is formed at 600 °C. A strong dependence of surface morphology, electrical and magneto-transport properties on grain size have been observed in this manganites system. Both grain size and crystallite size are increases with the sintering temperature due to the congregation effect. Upon increasing grain size, the paramagnetic-ferromagnetic transition temperature increases from 278 K to 295 K. The resistivity drops and the metal-insulator transition temperature shifted from 184 K to 248 K with increases of grain size due to the grain growth and reduction of grain boundary. Below metal-insulator transition temperature, the samples fit well to the combination of resistivity due to grain or domain boundaries, electron-electron scattering process and electron-phonon interaction. The resistivity data above the metal-insulator transition temperature is well described using small polaron hopping and variable range hopping models. It is found that the negative magnetoresistance also increases with larger grain size where the highest %MR of - 26% can be observed for sample sintered at 1000 °C (245 nm).

Combined effects of Sr substitution and pressure on the ground states in CaFe2As2

NASA Astrophysics Data System (ADS)

Knöner, S.; Gati, E.; Köhler, S.; Wolf, B.; Tutsch, U.; Ran, S.; Torikachvili, M. S.; Bud'ko, S. L.; Canfield, P. C.; Lang, M.

2016-10-01

We present a detailed study of the combined effects of Sr substitution and hydrostatic pressure on the ground-state properties of CaFe2As2 . Measurements of the electrical resistance and magnetic susceptibility, both at ambient and finite pressure P ≤2 GPa, were performed on Ca1 -xSrxFe2As2 single crystals grown out of Sn flux. We find that by Sr substitution the transition temperature to the magnetic/structural phase is enhanced and therefore a higher pressure is needed to suppress the transition to lowest temperature. In addition, the transition to the collapsed tetragonal phase is found at a pressure, which is distinctly higher than in the pure compound. This implies that the stability ranges of both phases shift on the pressure-axis upon doping, but the latter one with a higher rate. These observations suggest the possibility of separating the two phase lines, which intersect already at elevated temperatures for x =0 and low Sr concentration levels. For x =0.177 , we find strong evidence that both phases remain separated down to the lowest temperature and that a zero-resistance state emerges in this intermediate pressure window. This observation indicates that Sr substitution combined with hydrostatic pressure provides another route for stabilizing superconductivity in CaFe2As2 . Our results are consistent with the notion that (i) preserving the fluctuations associated with the structural-magnetic transition to low temperatures is vital for superconductivity to form in this material and that (ii) the nonmagnetic collapsed tetragonal phase is detrimental for superconductivity.

Line Mixing in Water Vapor and Methane

NASA Technical Reports Server (NTRS)

Smith, M. A. H.; Brown, L. R.; Toth, R. A.; Devi, V. Malathy; Benner, Chris

2006-01-01

A multispectrum fitting algorithm has been used to identify line mixing and determine mixing parameters for infrared transitions of H2O and CH4 in the 5-9 micrometer region. Line mixing parameters at room temperature were determined for two pairs of transitions in the v2 fundamental band of H2O-16, for self-broadening and for broadening by H2, He, CO2, N2, O2 and air. Line mixing parameters have been determined from air-broadened CH4 spectra, recorded at temperatures between 210 K and 314 K, in selected R-branch manifolds of the v4 band. For both H2O and CH4, the inclusion of line mixing was seen to have a greater effect on the retrieved values of the line shifts than on the retrieved values of other parameters

Radio-frequency measurements of UNiX compounds (X= Al, Ga, Ge) in high magnetic fields

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

Mielke, Charles H; Mcdonald, David R; Zapf, Vivien

2009-01-01

We performed radio-frequency (RF) skin-depth measurements of antiferromagnetic UNiX compounds (X=Al, Ga, Ge) in magnetic fields up to 60 T and at temperatures between 1.4 to {approx}60 K. Magnetic fields are applied along different crystallographic directions and RF penetration-depth was measured using a tunnel-diode oscillator (TDO) circuit. The sample is coupled to the inductive element of a TDO resonant tank circuit, and the shift in the resonant frequency {Delta}f of the circuit is measured. The UNiX compounds exhibit field-induced magnetic transitions at low temperatures, and those transitions are accompanied by a drastic change in {Delta}f. The results of our skin-depthmore » measurements were compared with previously published B-T phase diagrams for these three compounds.« less

Low temperature magnetic characterization of EuO1-x

NASA Astrophysics Data System (ADS)

Rimal, Gaurab; Tang, Jinke

EuO is a widely studied magnetic semiconductor. It is an ideal case of a Heisenberg ferromagnet as well as a model magnetic polaron system. The interesting aspect of this material is the existance of magnetic polarons in the low temperature region. We study the properties of oxygen deficient EuO prepared by pulsed laser deposition. Besides normal ferromagnetic transitions near 70K and 140K, we observe a different transition at 16K. We also observe a shift in the coercivity for field cooling versus zero field cooling. Possible mechanisms driving these behaviors will be discussed. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (DEFG02-10ER46728) and by the School of Energy Resources of the University of Wyoming.

Near-infrared analysis of hydrogen-bonding in glass- and rubber-state amorphous saccharide solids.

PubMed

Izutsu, Ken-ichi; Hiyama, Yukio; Yomota, Chikako; Kawanishi, Toru

2009-01-01

Near-infrared (NIR) spectroscopic analysis of noncrystalline polyols and saccharides (e.g., glycerol, sorbitol, maltitol, glucose, sucrose, maltose) was performed at different temperatures (30-80 degrees C) to elucidate the effect of glass transition on molecular interaction. Transmission NIR spectra (4,000-12,000 cm(-1)) of the liquids and cooled-melt amorphous solids showed broad absorption bands that indicate random configuration of molecules. Heating of the samples decreased an intermolecular hydrogen-bonding OH vibration band intensity (6,200-6,500 cm(-1)) with a concomitant increase in a free and intramolecular hydrogen-bonding OH group band (6,600-7,100 cm(-1)). Large reduction of the intermolecular hydrogen-bonding band intensity at temperatures above the glass transition (T(g)) of the individual solids should explain the higher molecular mobility and lower viscosity in the rubber state. Mixing of the polyols with a high T(g) saccharide (maltose) or an inorganic salt (sodium tetraborate) shifted both the glass transition and the inflection point of the hydrogen-bonding band intensity to higher temperatures. The implications of these results for pharmaceutical formulation design and process monitoring (PAT) are discussed.

Cell wall, cell membrane, and volatile metabolism are altered by antioxidant treatment, temperature shifts, and peel necrosis during apple fruit storage.

PubMed

Leisso, Rachel; Buchanan, David; Lee, Jinwook; Mattheis, James; Rudell, David

2013-02-13

The transition from cold storage to ambient temperature alters apple quality through accelerated softening, flavor and color changes, and development of physiological peel disorders, such as superficial scald, in susceptible cultivars. To reveal global metabolism associated with this transition, the 'Granny Smith' peel metabolome was evaluated during storage of 6 months and shelf life periods. Treatment with the antioxidant diphenylamine (DPA) reduced scald, creating a metabolic contrast with untreated fruit, which developed superficial scald. Superficial scald symptoms developed on control fruit after 120 days of storage, and symptoms progressed following transition to ambient-temperature shelf life. The metabolic profile of control and DPA-treated fruit was divergent after 30 days of cold storage due to differing levels of α-farnesene oxidation products, methyl esters, phytosterols, and other compounds potentially associated with chloroplast integrity and oxidative stress response. Hierarchical cluster analysis revealed coregulation within the volatile synthesis pathway including control of the availability of methyl, propyl, ethyl, acetyl, and butyl alcohol and/or acid moieties for ester biosynthesis. Overall, the application of metabolomics techniques lends new insight into physiological processes leading to cell death and ripening processes that affect fruit flavor, appearance, and overall quality.

Two-phase flow characteristics of liquid nitrogen in vertically upward 0.5 and 1.0 mm micro-tubes: Visualization studies

NASA Astrophysics Data System (ADS)

Zhang, P.; Fu, X.

2009-10-01

Application of liquid nitrogen to cooling is widely employed in many fields, such as cooling of the high temperature superconducting devices, cryosurgery and so on, in which liquid nitrogen is generally forced to flow inside very small passages to maintain good thermal performance and stability. In order to have a full understanding of the flow and heat transfer characteristics of liquid nitrogen in micro-tube, high-speed digital photography was employed to acquire the typical two-phase flow patterns of liquid nitrogen in vertically upward micro-tubes of 0.531 and 1.042 mm inner diameters. It was found from the experimental results that the flow patterns were mainly bubbly flow, slug flow, churn flow and annular flow. And the confined bubble flow, mist flow, bubble condensation and flow oscillation were also observed. These flow patterns were characterized in different types of flow regime maps. The surface tension force and the size of the diameter were revealed to be the major factors affecting the flow pattern transitions. It was found that the transition boundaries of the slug/churn flow and churn/annular flow of the present experiment shifted to lower superficial vapor velocity; while the transition boundary of the bubbly/slug flow shifted to higher superficial vapor velocity compared to the results of the room-temperature fluids in the tubes with the similar hydraulic diameters. The corresponding transition boundaries moved to lower superficial velocity when reducing the inner diameter of the micro-tubes. Time-averaged void fraction and heat transfer characteristics for individual flow patterns were presented and special attention was paid to the effect of the diameter on the variation of void fraction.

IR spectroscopic study of the displacement of an SF6 monolayer on graphite by Xe

NASA Astrophysics Data System (ADS)

Hess, G. B.; Xia, Yu

2017-09-01

We report a study of displacement by xenon of a monolayer of sulphur hexafluoride initially condensed on a graphite surface. Earlier work showed that, below 112 K, Xe displaces SF6 almost completely in a first-order transition. Working at higher temperatures, we show that this system has a simple eutectic-like phase diagram, at least for SF6 not too dilute. In our experiment, both adsorbates are in equilibrium with their respective vapors in a cold cell. In our infrared reflection-absorption spectroscopy measurements, the SF6 coverage on the surface is monitored by the frequency shift due to dynamic dipole coupling of the collective mode of the strong SF6 ν3 vibrational resonance. Simulations relate this frequency shift to the SF6 areal density. Below T ≈ 134 K, with increasing Xe pressure, a small amount Xe dissolves in the solid SF6 monolayer preceding its displacement by a solid predominantly Xe monolayer in a first-order transition. Above 134 K, there is a weaker first-order transition to a mixed liquid monolayer, followed by continuous increase in Xe concentration. If the initial SF6 monolayer is near its melting line, the melting transition on adding Xe appears to become continuous.

IR spectroscopic study of the displacement of an SF6 monolayer on graphite by Xe.

PubMed

Hess, G B; Xia, Yu

2017-09-07

We report a study of displacement by xenon of a monolayer of sulphur hexafluoride initially condensed on a graphite surface. Earlier work showed that, below 112 K, Xe displaces SF 6 almost completely in a first-order transition. Working at higher temperatures, we show that this system has a simple eutectic-like phase diagram, at least for SF 6 not too dilute. In our experiment, both adsorbates are in equilibrium with their respective vapors in a cold cell. In our infrared reflection-absorption spectroscopy measurements, the SF 6 coverage on the surface is monitored by the frequency shift due to dynamic dipole coupling of the collective mode of the strong SF 6 ν 3 vibrational resonance. Simulations relate this frequency shift to the SF 6 areal density. Below T ≈ 134 K, with increasing Xe pressure, a small amount Xe dissolves in the solid SF 6 monolayer preceding its displacement by a solid predominantly Xe monolayer in a first-order transition. Above 134 K, there is a weaker first-order transition to a mixed liquid monolayer, followed by continuous increase in Xe concentration. If the initial SF 6 monolayer is near its melting line, the melting transition on adding Xe appears to become continuous.

Porous silicon-VO{sub 2} based hybrids as possible optical temperature sensor: Wavelength-dependent optical switching from visible to near-infrared range

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

Antunez, E. E.; Salazar-Kuri, U.; Estevez, J. O.

Morphological properties of thermochromic VO{sub 2}—porous silicon based hybrids reveal the growth of well-crystalized nanometer-scale features of VO{sub 2} as compared with typical submicron granular structure obtained in thin films deposited on flat substrates. Structural characterization performed as a function of temperature via grazing incidence X-ray diffraction and micro-Raman demonstrate reversible semiconductor-metal transition of the hybrid, changing from a low-temperature monoclinic VO{sub 2}(M) to a high-temperature tetragonal rutile VO{sub 2}(R) crystalline structure, coupled with a decrease in phase transition temperature. Effective optical response studied in terms of red/blue shift of the reflectance spectra results in a wavelength-dependent optical switching withmore » temperature. As compared to VO{sub 2} film over crystalline silicon substrate, the hybrid structure is found to demonstrate up to 3-fold increase in the change of reflectivity with temperature, an enlarged hysteresis loop and a wider operational window for its potential application as an optical temperature sensor. Such silicon based hybrids represent an exciting class of functional materials to display thermally triggered optical switching culminated by the characteristics of each of the constituent blocks as well as device compatibility with standard integrated circuit technology.« less

Tailoring transport properties of phase-separated manganite films with ordered magnetic nanostructures

DOE PAGES

Vlaminck, V.; Yanez, W.; Hoffman, J.; ...

2016-08-02

Here, the magnetotransport properties of thin manganite films (La 0.7Ca 0.3MnO 3) coupled with arrays of permalloy (Py) nanodots deposited on the surface of the film are studied as a function of temperature, magnetic field, and the size of the dots. In the presence of the magnetic dots, a reduction of the electrical resistivity is observed, especially at the insulator-to-metal transition, as well as a shift of the transition peak towards higher temperatures. This indicates that, due to local interface exchange coupling, highly conductive ferromagnetic domains are nucleated in the manganite film underneath the Py nanodots. The use of amore » simplified resistor network model allows us to estimate the size of the metallic regions induced by exchange coupling. At low temperatures, these regions extend ~70 nm beyond the edge of the nanodots, a length scale comparable to the correlation length of the ferromagnetic clusters in the phase-separated state of La 0.7Ca 0.3MnO 3.« less

Kinetic Inductance Photodetectors Based on Nonequilibrium Response in Superconducting Thin-Film Structures

NASA Technical Reports Server (NTRS)

Sergeev, A. V.; Karasik, B. S.; Gogidze, I. G.; Mitin, V. V.

2001-01-01

While experimental studies of kinetic-inductance sensors have been limited so far by the temperature range near the superconducting transition, these detectors can be very sensitivity at temperatures well below the transition, where the number of equilibrium quasiparticles is exponentially small. In this regime, a shift of the quasiparticle chemical potential under radiation results in the change of the kinetic inductance, which can be measured by a sensitive SQUID readout. We modeled the kinetic inductance response of detectors made from disordered superconducting Nb, NbC, and MoRe films. Low phonon transparency of the interface between the superconductor and the substrate causes substantial re-trapping of phonons providing high quantum efficiency and the operating time of approximately 1 ms at 1 K. Due to the small number of quasiparticles, the noise equivalent power of the detector determined by the quasiparticle generation-recombination noise can be as small as approximately 10(exp -19) W/Hz(exp 1/2) at He4 temperatures.

Fourier Transform Spectroscopy of two trace gases namely Methane and Carbon monoxide for planetary and atmospheric research application

NASA Astrophysics Data System (ADS)

Hashemi, R.; Dudaryonok, A. S.; Lavrentieva, N. N.; Vandaele, A. C.; Vander Auwera, J.; Tyuterev, AV Nikitin G., VI; Sung, K.; Smith, M. A. H.; Devi, V. M.; Predoi-Cross, A.

2017-02-01

Two atmospheric trace gases, namely methane and carbon monoxide have been considered in this study. Fourier transform absorption spectra of the 2-0 band of 12C16O mixed with CO2 have been recorded at total pressures from 156 to 1212 hPa and at 4 different temperatures between 240 K and 283 K. CO2 pressure-induced line broadening and line shift coefficients, and the associated temperature dependence have been measured in an multi-spectrum non-linear least squares analysis using Voigt profiles with an asymmetric profile due to line mixing. The measured CO2-broadening and CO2-shift parameters were compared with theoretical values, calculated by collaborators. In addition, the CO2-broadening and shift coefficients have been calculated for individual temperatures using the Exponential Power Gap (EPG) semi-empirical method. We also discuss the retrieved line shape parameters for Methane transitions in the spectral range known as the Methane Octad. We used high resolution spectra of pure methane and of dilute mixtures of methane in dry air, recorded with high signal to noise ratio at temperatures between 148 K and room temperature using the Bruker IFS 125 HR Fourier transform spectrometer (FTS) at the Jet Propulsion Laboratory, Pasadena, California. Theoretical calculations for line parameters have been performed and the results are compared with the previously published values and with the line parameters available in the GEISA2015 [1] and HITRAN2012 [2] databases.

Self-preservation and structural transition of gas hydrates during dissociation below the ice point: an in situ study using Raman spectroscopy

PubMed Central

Zhong, Jin-Rong; Zeng, Xin-Yang; Zhou, Feng-He; Ran, Qi-Dong; Sun, Chang-Yu; Zhong, Rui-Qin; Yang, Lan-Ying; Chen, Guang-Jin; Koh, Carolyn A.

2016-01-01

The hydrate structure type and dissociation behavior for pure methane and methane-ethane hydrates at temperatures below the ice point and atmospheric pressure were investigated using in situ Raman spectroscopic analysis. The self-preservation effect of sI methane hydrate is significant at lower temperatures (268.15 to 270.15 K), as determined by the stable C-H region Raman peaks and AL/AS value (Ratio of total peak area corresponding to occupancies of guest molecules in large cavities to small cavities) being around 3.0. However, it was reduced at higher temperatures (271.15 K and 272.15 K), as shown from the dramatic change in Raman spectra and fluctuations in AL/AS values. The self-preservation effect for methane-ethane double hydrate is observed at temperatures lower than 271.15 K. The structure transition from sI to sII occurred during the methane-ethane hydrate decomposition process, which was clearly identified by the shift in peak positions and the change in relative peak intensities at temperatures from 269.15 K to 271.15 K. Further investigation shows that the selectivity for self-preservation of methane over ethane leads to the structure transition; this kind of selectivity increases with decreasing temperature. This work provides new insight into the kinetic behavior of hydrate dissociation below the ice point. PMID:27941857

Self-preservation and structural transition of gas hydrates during dissociation below the ice point: an in situ study using Raman spectroscopy.

PubMed

Zhong, Jin-Rong; Zeng, Xin-Yang; Zhou, Feng-He; Ran, Qi-Dong; Sun, Chang-Yu; Zhong, Rui-Qin; Yang, Lan-Ying; Chen, Guang-Jin; Koh, Carolyn A

2016-12-12

The hydrate structure type and dissociation behavior for pure methane and methane-ethane hydrates at temperatures below the ice point and atmospheric pressure were investigated using in situ Raman spectroscopic analysis. The self-preservation effect of sI methane hydrate is significant at lower temperatures (268.15 to 270.15 K), as determined by the stable C-H region Raman peaks and A L /A S value (Ratio of total peak area corresponding to occupancies of guest molecules in large cavities to small cavities) being around 3.0. However, it was reduced at higher temperatures (271.15 K and 272.15 K), as shown from the dramatic change in Raman spectra and fluctuations in A L /A S values. The self-preservation effect for methane-ethane double hydrate is observed at temperatures lower than 271.15 K. The structure transition from sI to sII occurred during the methane-ethane hydrate decomposition process, which was clearly identified by the shift in peak positions and the change in relative peak intensities at temperatures from 269.15 K to 271.15 K. Further investigation shows that the selectivity for self-preservation of methane over ethane leads to the structure transition; this kind of selectivity increases with decreasing temperature. This work provides new insight into the kinetic behavior of hydrate dissociation below the ice point.

Temperature driven structural-memory-effects in carbon nanotubes filled with Fe3C nano crystals

NASA Astrophysics Data System (ADS)

Boi, Filippo S.; Zhang, Xiaotian; Corrias, Anna

2018-02-01

We report the observation of novel temperature-driven structural-memory-effects in carbon nanotubes (CNTs) filled with Fe3C nano-crystals. These structural-transitions were measured by means of temperature (T) dependent x-ray diffraction (XRD) in the T-range from 298 K to 12 K. A clear reversible 2θ-shift in the 002-peak of the graphitic-CNTs-walls is found with the decrease of the temperature. As determined by Rietveld refinement, such 2θ-shift translates in a not previously reported decrease in the value of the CNT graphitic c-axis with the decrease of the temperature (from 298 K to 12 K). Also, a clear reversible 2θ-shift in the 031 and 131 diffraction-peaks of Fe3C is observed within the same T-range. Rietveld refinements confirm the existence of such memory-effect and also reveal a gradual decrease of the 010-axis of Fe3C with the decrease of the temperature. These observations imply that the observed structural-memory-effect is a characteristic of CNTs when Fe3C is the encapsulated ferromagnet. The generality of such memory-effects was further confirmed by additional measurements performed on other types of CNTs characterized by continuous Fe3C-filling. XRD measurements in the T-range from 298 K to 673 K revealed also an unusual reversible decrease of the Fe3C-peak intensities with the increase of the temperature. These observations can have important implications on the magnetic data recording applications of these nanostructures by helping in better understanding the unusual temperature-dependent magnetic instabilities of iron-based nano-crystals which have been recently reported in literature.

Carrier and polarization dynamics in monolayer MoS2: temperature and power dependence

NASA Astrophysics Data System (ADS)

Urbaszek, Bernhard; Lagarde, D.; Bouet, L.; Amand, T.; Marie, X.; Zhu, C. R.; Liu, B. L.; Tan, P. H.

2014-03-01

In monolayer (ML) MoS2 optical transitions across the direct bandgap are governed by chiral selection rules, allowing optical k-valley initialization. Here we present the first time resolved photoluminescence (PL) polarization measurements in MoS2 MLs, providing vital information on the electron valley dynamics. Using quasi-resonant excitation of the A-exciton transitions, we can infer that the PL decays within τ ~= 4ps. The PL polarization of Pc ~ 60 % remains nearly constant in time for experiments from 4K - 300K, a necessary condition for the success of future Valley Hall experiments. τ does not vary significantly over this temperature range. This is surprising when considering the decrease of Pc in continuous wave experiments when going from 4K to 300K reported in the literature. By tuning the laser following the shift of the A-exciton resonance with temperature we are able to recover at 300K ~ 80 % of the polarization observed at 4K. For pulsed laser excitation, we observe a decrease of Pc with increasing laser power at all temperatures.

Hydrologic impacts of past shifts of Earth's thermal equator offer insight into those to be produced by fossil fuel CO2.

PubMed

Broecker, Wallace S; Putnam, Aaron E

2013-10-15

Major changes in global rainfall patterns accompanied a northward shift of Earth's thermal equator at the onset of an abrupt climate change 14.6 kya. This northward pull of Earth's wind and rain belts stemmed from disintegration of North Atlantic winter sea ice cover, which steepened the interhemispheric meridional temperature gradient. A southward migration of Earth's thermal equator may have accompanied the more recent Medieval Warm to Little Ice Age climate transition in the Northern Hemisphere. As fossil fuel CO2 warms the planet, the continents of the Northern Hemisphere are expected to warm faster than the Southern Hemisphere oceans. Therefore, we predict that a northward shift of Earth's thermal equator, initiated by an increased interhemispheric temperature contrast, may well produce hydrologic changes similar to those that occurred during past Northern Hemisphere warm periods. If so, the American West, the Middle East, and southern Amazonia will become drier, and monsoonal Asia, Venezuela, and equatorial Africa will become wetter. Additional paleoclimate data should be acquired and model simulations should be conducted to evaluate the reliability of this analog.

Energetics of bacterial photosynthesis.

PubMed

Lebard, David N; Matyushov, Dmitry V

2009-09-10

We report the results of extensive numerical simulations and theoretical calculations of electronic transitions in the reaction center of Rhodobacter sphaeroides photosynthetic bacterium. The energetics and kinetics of five electronic transitions related to the kinetic scheme of primary charge separation have been analyzed and compared to experimental observations. Nonergodic formulation of the reaction kinetics is required for the calculation of the rates due to a severe breakdown of the system ergodicity on the time scale of primary charge separation, with the consequent inapplicability of the standard canonical prescription to calculate the activation barrier. Common to all reactions studied is a significant excess of the charge-transfer reorganization energy from the width of the energy gap fluctuations over that from the Stokes shift of the transition. This property of the hydrated proteins, breaking the linear response of the thermal bath, allows the reaction center to significantly reduce the reaction free energy of near-activationless electron hops and thus raise the overall energetic efficiency of the biological charge-transfer chain. The increase of the rate of primary charge separation with cooling is explained in terms of the temperature variation of induction solvation, which dominates the average donor-acceptor energy gap for all electronic transitions in the reaction center. It is also suggested that the experimentally observed break in the Arrhenius slope of the primary recombination rate, occurring near the temperature of the dynamical transition in proteins, can be traced back to a significant drop of the solvent reorganization energy close to that temperature.

Volovik effect and Fermi-liquid behavior in the s -wave superconductor CaPd 2 As 2 :   As 75 NMR-NQR measurements

DOE PAGES

Ding, Q. -P.; Wiecki, P.; Anand, V. K.; ...

2016-04-07

The electronic and magnetic properties of the collapsed-tetragonal CaPd 2As 2 superconductor (SC) with a transition temperature of 1.27 K have been investigated by 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. The temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T 1) and the Knight shifts indicate the absence of magnetic correlations in the normal state. In the SC state, 1/T 1 measured by 75As NQR shows a clear Hebel-Slichter (HS) peak just below T c and decreases exponentially at lower T, confirming a conventional s-wave SC. Additionally, the Volovik effect, also known asmore » the Doppler shift effect, has been clearly evidenced by the observation of the suppression of the HS peak with applied magnetic field.« less

Volovik effect and Fermi-liquid behavior in the s -wave superconductor CaPd 2 As 2 :   As 75 NMR-NQR measurements

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

Ding, Q. -P.; Wiecki, P.; Anand, V. K.

The electronic and magnetic properties of the collapsed-tetragonal CaPd 2As 2 superconductor (SC) with a transition temperature of 1.27 K have been investigated by 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. The temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T 1) and the Knight shifts indicate the absence of magnetic correlations in the normal state. In the SC state, 1/T 1 measured by 75As NQR shows a clear Hebel-Slichter (HS) peak just below T c and decreases exponentially at lower T, confirming a conventional s-wave SC. Additionally, the Volovik effect, also known asmore » the Doppler shift effect, has been clearly evidenced by the observation of the suppression of the HS peak with applied magnetic field.« less

Increased Isoprenoid Quinone Concentration Modulates Membrane Fluidity in Listeria monocytogenes at Low Growth Temperatures.

PubMed

Seel, Waldemar; Flegler, Alexander; Zunabovic-Pichler, Marija; Lipski, André

2018-07-01

Listeria monocytogenes is a food pathogen capable of growing at a broad temperature range from 50°C to refrigerator temperatures. A key requirement for bacterial activity and growth at low temperatures is the ability to adjust the membrane lipid composition to maintain cytoplasmic membrane fluidity. In this study, we confirmed earlier findings that the extents of fatty acid profile adaptation differed between L. monocytogenes strains. We were able to demonstrate for isolates from food that growth rates at low temperatures and resistance to freeze-thaw stress were not impaired by a lower adaptive response of the fatty acid composition. This indicated the presence of a second adaptation mechanism besides temperature-regulated fatty acid synthesis. For strains that showed weaker adaptive responses in their fatty acid profiles to low growth temperature, we could demonstrate a significantly higher concentration of isoprenoid quinones. Three strains even showed a higher quinone concentration after growth at 6°C than at 37°C, which is contradictory to the reduced respiratory activity at lower growth temperatures. Analyses of the membrane fluidity in vivo by measuring generalized polarization and anisotropy revealed modulation of the transition phase. Strains with increased quinone concentrations showed an expanded membrane transition phase in contrast to strains with pronounced adaptations of fatty acid profiles. The correlation between quinone concentration and membrane transition phase expansion was confirmed by suppression of quinone synthesis. A reduced quinone concentration resulted in a narrower transition phase. Expansion of the phase transition zone by increasing the concentration of non-fatty acid membrane lipids is discussed as an additional mechanism improving adaptation to temperature shifts for L. monocytogenes strains. IMPORTANCE Listeria monocytogenes is a foodborne pathogen with an outstanding temperature range for growth. The ability for growth at temperatures close to the freezing point constitutes a serious contamination potential for cold stored food. The only known mechanism of the species for adaptation of membrane fluidity is modification of the membrane fatty acid composition. We were able to demonstrate that, at least for some strains, this adaptation mechanism is supported by regulation of the menaquinone concentration. The increase of this neutral membrane lipid is correlated with fluidization of the membrane under low-temperature conditions and therefore represents a fatty acid-independent mechanism for adaptation to low temperatures. Copyright © 2018 American Society for Microbiology.

Recent Line-Shape and Doppler Thermometry Studies Involving Transitions in the ν1 +ν3 Band of Acetylene

NASA Astrophysics Data System (ADS)

Hashemi, Robab; Rozario, Hoimonti; Povey, Chad; Garber, Jolene; Derksen, Mark; Predoi-Cross, Adriana

2014-06-01

The line positions for transitions in the ν1 +ν3 band are often used as a frequency standard by the telecom industry and also needed for planetary atmospheric studies. Four relevant studies have been recently carried out in our group and will be discussed briefly below. (1) N2-broadened line widths and N2-pressure induced line shifts have been measured for transitions in the ν1 +ν3 band of acetylene at seven temperatures in the range 213333K to obtain the temperature dependences of broadening and shift coefficients. The Voigt and hard-collision line profile models were used to retrieve the line parameters. This study has been published in Molecular Physics, 110 Issue 21/22 (2012) 2645-2663. (2) Six nitrogen perturbed transitions of acetylene within the ν1 +ν3 absorption band have been recorded using a 3-channel diode laser spectrometer. We have examined C2H2 spectra using a hard collision (Rautian) profile over a range of five temperatures (213 K-333 K). From these fits we have obtained the N2-broadening and narrowing coefficients of C2H2 and examined their temperature dependence. The experimentally measured narrowing coefficients have been used to estimate the nitrogen diffusion coefficients. The broadening coefficients and corresponding temperature dependence exponents have also been compared to that of calculations completed using a classical impact approach on an ab initio potential energy surface. We have observed a good agreement between our theoretical and experimental results. This study was published in Canadian Journal of Physics 91(11) 896-905 (2013). (3) An extension of the previous study was to analyze the room temperature for the same six transitions using the Voigt, Rautian, Galatry, RautianGalatry and Correlated Rautian profiles. For the entire pressure range, we have tested the applicability of these line-shape models. Except for Voigt profile, Dicke narrowing effect has been considered in all mentioned line-shape models. The experimental results for the narrowing parameters have been compared with calculated values based on the theory of diffusion. This study is in press in press in the Journal of Quantitative Spectroscopy and Radiative Transfer. (4) In this paper we present accurate measurements of the fundamental Boltzmann constant based on a lineshape analysis of acetylene spectra in the ν1 +ν3 band recorded using a tunable diode laser. Experimental spectra recorded at low pressures have been analyzed using both the Voigt model and the Speed Dependent Voigt model that takes into account the molecular speed dependence effects. These line-shape models reproduces the experimental data with high accuracy and allow us to determine precise line-shape parameters for the transitions used, the Doppler-width and then determined the Boltzmann constant, kB. This study has been submitted for publication in the Journal of Chemical Physics. 1 1 Research described in this work was funded by NSERC, Canada.

Remote sensing of freeze-thaw transitions in Arctic soils using the complex resistivity method

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

Wu, Yuxin; Hubbard, Susan S; Ulrich, Craig

2013-01-01

Our ability to monitor freeze - thaw transitions is critical to developing a predictive understanding of biogeochemical transitions and carbon dynamics in high latitude environments. In this study, we conducted laboratory column experiments to explore the potential of the complex resistivity method for monitoring the freeze - thaw transitions of the arctic permafrost soils. Samples for the experiment were collected from the upper active layer of Gelisol soils at the Barrow Environmental Observatory, Barrow Alaska. Freeze - thaw transitions were induced through exposing the soil column to controlled temperature environments at 4 C and -20 C. Complex resistivity and temperaturemore » measurements were collected regularly during the freeze - thaw transitions using electrodes and temperature sensors installed along the column. During the experiments, over two orders of magnitude of resistivity variations were observed when the temperature was increased or decreased between -20 C and 0 C. Smaller resistivity variations were also observed during the isothermal thawing or freezing processes that occurred near 0 C. Single frequency electrical phase response and imaginary conductivity at 1 Hz were found to be exclusively related to the unfrozen water in the soil matrix, suggesting that these geophysical 24 attributes can be used as a proxy for the monitoring of the onset and progression of the freeze - thaw transitions. Spectral electrical responses and fitted Cole Cole parameters contained additional information about the freeze - thaw transition affected by the soil grain size distribution. Specifically, a shift of the observed spectral response to lower frequency was observed during isothermal thawing process, which we interpret to be due to sequential thawing, first from fine then to coarse particles within the soil matrix. Our study demonstrates the potential of the complex resistivity method for remote monitoring of freeze - thaw transitions in arctic soils. Although conducted at the laboratory scale, this study provides the foundation for exploring the potential of the complex resistivity signals for monitoring spatiotemporal variations of freeze - thaw transitions over field-relevant scales.« less

Gating kinetics of batrachotoxin-modified Na+ channels in the squid giant axon. Voltage and temperature effects.

PubMed Central

Correa, A M; Bezanilla, F; Latorre, R

1992-01-01

The gating kinetics of batrachotoxin-modified Na+ channels were studied in outside-out patches of axolemma from the squid giant axon by means of the cut-open axon technique. Single channel kinetics were characterized at different membrane voltages and temperatures. The probability of channel opening (Po) as a function of voltage was well described by a Boltzmann distribution with an equivalent number of gating particles of 3.58. The voltage at which the channel was open 50% of the time was a function of [Na+] and temperature. A decrease in the internal [Na+] induced a shift to the right of the Po vs. V curve, suggesting the presence of an integral negative fixed charge near the activation gate. An increase in temperature decreased Po, indicating a stabilization of the closed configuration of the channel and also a decrease in entropy upon channel opening. Probability density analysis of dwell times in the closed and open states of the channel at 0 degrees C revealed the presence of three closed and three open states. The slowest open kinetic component constituted only a small fraction of the total number of transitions and became negligible at voltages greater than -65 mV. Adjacent interval analysis showed that there is no correlation in the duration of successive open and closed events. Consistent with this analysis, maximum likelihood estimation of the rate constants for nine different single-channel models produced a preferred model (model 1) having a linear sequence of closed states and two open states emerging from the last closed state. The effect of temperature on the rate constants of model 1 was studied. An increase in temperature increased all rate constants; the shift in Po would be the result of an increase in the closing rates predominant over the change in the opening rates. The temperature study also provided the basis for building an energy diagram for the transitions between channel states. PMID:1318096

Temperature dependence of phonons in photosynthesis proteins

NASA Astrophysics Data System (ADS)

Xu, Mengyang; Myles, Dean; Blankenship, Robert; Markelz, Andrea

Protein long range vibrations are essential to biological function. For many proteins, these vibrations steer functional conformational changes. For photoharvesting proteins, the structural vibrations play an additional critical role in energy transfer to the reaction center by both phonon assisted energy transfer and energy dissipation. The characterization of these vibrations to understand how they are optimized to balance photoharvesting and photoprotection is challenging. To date this characterization has mainly relied on fluorescence line narrowing measurements at cryogenic temperatures. However, protein dynamics has a strong temperature dependence, with an apparent turn on in anharmonicity between 180-220 K. If this transition affects intramolecular vibrations, the low temperature measurements will not represent the phonon spectrum at biological temperatures. Here we use the new technique of anisotropic terahertz microscopy (ATM) to measure the intramolecular vibrations of FMO complex. ATM is uniquely capable of isolating protein vibrations from isotropic background. We find resonances both red and blue shift with temperature above the dynamical transition. The results indicate that the characterization of vibrations must be performed at biologically relevant temperatures to properly understand the energy overlap with the excitation energy transfer. This work was supported by NSF:DBI 1556359, BioXFEL seed Grant funding from NSF:DBI 1231306, DOE: DE-SC0016317, and the Bruce Holm University at Buffalo Research Foundation Grant.

High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

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

Bishop, M. M.; Chellappa, R. S.; Liu, Z.

Here, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ). In this study, we have investigated the high pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and β → γ (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → δ (~210 °C),more » with the δ phase being stable up to ~251 degree C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 degree C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa..« less

Orbital Ordering Transition in La_4Ru_2O_10 probed by O K-edge X-ray Absorption

NASA Astrophysics Data System (ADS)

Denlinger, J. D.; Rossnagel, Kai; Allen, J. W.; Khalifah, P.; Mandrus, D.; Cava, R. J.

2004-03-01

The layered ruthenate compound La_4Ru_2O_10 undergoes a first order monoclinic-to-triclinic structural phase transition at 160 K. An accompanying loss of the Ru local moment gives evidence for a full orbital ordering transition in which the Ru d_yz orbitals become completely unoccupied in the low temperature phase.(P. Khalifah et al.), Science 297, 2237 (2002). Via hybridization of Ru t_2g and O 2p orbitals this temperature-dependent Ru orbital ordering can be indirectly probed using polarized O K-edge x-ray absorption spectroscopy (XAS). O 1s core-level energy shifts allow O site-specific separation of Ru t_2g hybridizations. Identification of O sites is accomplished using polarized XAS angular dependence as well as by O 2p valence PDOS obtained from site-selective soft x-ray emission. Distinct XAS energy and intensity changes are observed upon cooling through the phase transition and are rationalized within the framework of the complete orbital ordering scenario. Supported by the U.S. NSF at U. Mich. (DMR-03-02825) and by the DOE at the Advanced Light Source (DE-AC03-76SF00098).

Transition edge sensors for quench localization in SRF cavity tests

NASA Astrophysics Data System (ADS)

Furci, H.; Kovács, Z.; Koettig, T.; Vandoni, G.

2017-12-01

Transition Edge Sensors (TES) are bolometers based on the gradual superconducting transition of a thin film alloy. In the frame of improvement of non-contact thermal mapping for quench localisation in SRF cavity tests, TES have been developed in-house at CERN. Based on modern photolithography techniques, a fabrication method has been established and used to produce TES from Au-Sn alloys. The fabricated sensors superconducting transitions were characterised. The sensitive temperature range of the sensors spreads over 100 mK to 200 mK and its centre can be shifted by the bias current applied between 1.5 K and 2.1 K. Maximum sensitivity being in the range of 0.5 mV/mK, it is possible to detect fast temperature variations (in the 50 μs range) below 1 mK. All these characteristics are an asset for the detection of second sound. Second sound was produced by heaters and the TES were able to distinctively detect it. The value of the speed of second sound was determined and corresponds remarkably with literature values. Furthermore, there is a clear correlation between intensity of the signal and distance, opening possibilities for a more precise signal interpretation in quench localisation.

High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

DOE PAGES

Bishop, M. M.; Chellappa, R. S.; Liu, Z.; ...

2014-05-07

Here, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ). In this study, we have investigated the high pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and β → γ (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → δ (~210 °C),more » with the δ phase being stable up to ~251 degree C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 degree C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa..« less

Structural transformation in antiferroelectric PbZrO3-relaxor ferroelectric Pb(Ni1/3Nb2/3)O3 solid solution system

NASA Astrophysics Data System (ADS)

Wirunchit, S.; Vittayakorn, N.

2008-07-01

The solid solution between the antiferroelectric (AFE) PbZrO3 (PZ) and the relaxor ferroelectric (FE) Pb(Ni1/3Nb2/3)O3 (PNN) was synthesized by the columbite precursor method. The crystal structure, phase transformations, and dielectric and thermal properties of (1-x )PZ-xPNN where x =0.00-0.30 were investigated. With these data, the FE phase diagram between PZ and PNN has been established. The crystal structure data obtained from X-ray diffraction indicate that the solid solution PZ-PNN, where x =0.00-0.30, successively transforms from orthorhombic to rhombohedral symmetry with an increase in the PNN concentration. The AFE phase→FE phase transition occurs in compositions of 0.00⩽x⩽0.08. The AFE →FE phase transition shifts to lower temperatures with higher compositions of x. The FE phase temperature range width increases with increased PNN. Apparently the replacement of the Zr4+ ion by Ni2+/Nb5+ ions decreases the driving force for an antiparallel shift of Pb2+ ions because they interrupt the translational symmetry and facilitates the appearance of a rhombohedral FE phase when the amount of PNN is higher than 8mol%.

Simulation Studies of LCST-like Phase Transitions in Elastin-like Polypeptides (ELPs) and Conjugates of ELP with Rigid Macromolecules

NASA Astrophysics Data System (ADS)

Condon, Joshua; Martin, Tyler; Jayaraman, Arthi

We use atomistic (AA) and coarse-grained (CG) molecular dynamics simulations to elucidate the thermodynamic driving forces governing lower critical solution temperature (LCST)-like phase transition exhibited by elastin-like peptides (ELPs) and conjugates of ELP with other macromolecules. In the AA simulations, we study ELP oligomers in explicit water, and mark the transition as the temperature at which they undergo a change in ``hydration'' state. While AA simulations are restricted to small systems of short ELPs and do not capture the chain aggregation observed in experiments of ELPs, they guide the phenomenological CG model development by highlighting the solvent induced polymer-polymer effective interactions with changing temperature. In the CG simulations, we capture the LCST polymer aggregation by increasing polymer-polymer effective attractive interactions in an implicit solvent. We examine the impact of conjugating a block of LCST polymer to another rigid unresponsive macromolecular block on the LCST-like transition. We find that when multiple LCST polymers are conjugated to a rigid polymer block, increased crowding of the LCST polymers shifts the onset of chain aggregation to smaller effective polymer-polymer attraction compared to the free LCST polymers. These simulation results provide guidance on the design of conjugated bio-mimetic thermoresponsive materials, and shape the fundamental understanding of the impact of polymer crowding on phase behavior in thermoresponsive LCST polymer systems.

Impact of heat treatment on the physical properties of noncrystalline multisolute systems concentrated in frozen aqueous solutions.

PubMed

Izutsu, Ken-ichi; Yomota, Chikako; Kawanishi, Toru

2011-12-01

The purpose of this study was to elucidate the effect of heat treatment on the miscibility of multiple concentrated solutes that mimic biopharmaceutical formulations in frozen solutions. The first heating thermal analysis of frozen solutions containing either a low-molecular-weight saccharide (e.g., sucrose, trehalose, and glucose) or a polymer (e.g., polyvinylpyrrolidone and dextran) and their mixtures from -70°C showed a single transition at glass transition temperature of maximally freeze-concentrated solution (T(g) ') that indicated mixing of the freeze-concentrated multiple solutes. The heat treatment of single-solute and various polymer-rich mixture frozen solutions at temperatures far above their T(g) ' induced additional ice crystallization that shifted the transitions upward in the following scan. Contrarily, the heat treatment of frozen disaccharide-rich solutions induced two-step heat flow changes (T(g) ' splitting) that suggested separation of the solutes into multiple concentrated noncrystalline phases, different in the solute compositions. The extent of the T(g) ' splitting depended on the heat treatment temperature and time. Two-step glass transition was observed in some sucrose and dextran mixture solids, lyophilized after the heat treatment. Increasing mobility of solute molecules during the heat treatment should allow spatial reordering of some concentrated solute mixtures into thermodynamically favorable multiple phases. Copyright © 2011 Wiley-Liss, Inc.

Constitutive modeling of polycarbonate over a wide range of strain rates and temperatures

NASA Astrophysics Data System (ADS)

Wang, Haitao; Zhou, Huamin; Huang, Zhigao; Zhang, Yun; Zhao, Xiaoxuan

2017-02-01

The mechanical behavior of polycarbonate was experimentally investigated over a wide range of strain rates (10^{-4} to 5× 103 s^{-1}) and temperatures (293 to 353 K). Compression tests under these conditions were performed using a SHIMADZU universal testing machine and a split Hopkinson pressure bar. Falling weight impact testing was carried out on an Instron Dynatup 9200 drop tower system. The rate- and temperature-dependent deformation behavior of polycarbonate was discussed in detail. Dynamic mechanical analysis (DMA) tests were utilized to observe the glass (α ) transition and the secondary (β ) transition of polycarbonate. The DMA results indicate that the α and β transitions have a dramatic influence on the mechanical behavior of polycarbonate. The decompose/shift/reconstruct (DSR) method was utilized to decompose the storage modulus into the α and β components and extrapolate the entire modulus, the α-component modulus and the β-component modulus. Based on three previous models, namely, Mulliken-Boyce, G'Sell-Jonas and DSGZ, an adiabatic model is proposed to predict the mechanical behavior of polycarbonate. The model considers the contributions of both the α and β transitions to the mechanical behavior, and it has been implemented in ABAQUS/Explicit through a user material subroutine VUMAT. The model predictions are proven to essentially coincide with the experimental results during compression testing and falling weight impact testing.

Vanadium dioxide as a material to control light polarization in the visible and near infrared

NASA Astrophysics Data System (ADS)

Cormier, Patrick; Son, Tran Vinh; Thibodeau, Jacques; Doucet, Alexandre; Truong, Vo-Van; Haché, Alain

2017-01-01

We report on the possible use of vanadium dioxide to produce ultrathin (<100 nm) adjustable phase retarders working over a wide spectral range. The refractive index of vanadium dioxide undergoes large changes when the material undergoes a phase transition from semiconductor to metal at a temperature of 68 °C. In a thin film, the resulting optical phase shift is different for s- and p-polarizations in both reflection and transmission, and under certain conditions the polarization state changes between linear or circular or between linear polarizations oriented differently when the material phase transitions. Specific ultrathin modulators are proposed based on the results.

Microstructure, hyperfine interaction and magnetic transition of Fe-25%Ni-5%Si-x%Co alloys

NASA Astrophysics Data System (ADS)

Gungunes, H.

2016-12-01

Morphological and magnetic properties in Fe-25%Ni-5%Si-x%Co (x = 0, 10, 15) alloys are investigated. Scanning electron microscopy (SEM), Mössbauer spectroscopy and AC magnetic susceptibility measurements are used to determine the physical properties of alloys. The martensite morphology changed depending on the Co content. The Mössbauer study shows that the volume fraction and hyperfine field of martensite increases while isomer shift values decrease with increasing Co content. On the other hand; AC susceptibility results showed that; Co is an effective element which can be used to control both the magnetic transition and martensitic transformation temperatures.

Hydraulic fracturing and permeability enhancement in granite from subcritical/brittle to supercritical/ductile conditions

NASA Astrophysics Data System (ADS)

Watanabe, Noriaki; Egawa, Motoki; Sakaguchi, Kiyotoshi; Ishibashi, Takuya; Tsuchiya, Noriyoshi

2017-06-01

Hydraulic fracturing experiments were conducted at 200-450°C by injecting water into cylindrical granite samples containing a borehole at an initial effective confining pressure of 40 MPa. Intensive fracturing was observed at all temperatures, but the fracturing characteristics varied with temperature, perhaps due to differences in the water viscosity. At the lowest considered temperature (200°C), fewer fractures propagated linearly from the borehole, and the breakdown pressure was twice the confining pressure. However, these characteristics disappeared with increasing temperature; the fracture pattern shifted toward the formation of a greater number of shorter fractures over the entire body of the sample, and the breakdown pressure decreased greatly. Hydraulic fracturing significantly increased the permeability at all temperatures, and this permeability enhancement was likely to form a productive geothermal reservoir even at the highest considered temperature, which exceeded both the brittle-ductile transition temperature of granite and the critical temperature of water.

Characterisation of diesel particulate emission from engines using commercial diesel and biofuels

NASA Astrophysics Data System (ADS)

Ajtai, T.; Pintér, M.; Utry, N.; Kiss-Albert, G.; Gulyás, G.; Pusztai, P.; Puskás, R.; Bereczky, Á.; Szabados, Gy.; Szabó, G.; Kónya, Z.; Bozóki, Z.

2016-06-01

In this paper, the number concentration and the size distribution of diluted diesel exhaust particulate matter were measured at three different engine operating points in the speed-load range of the engine as follows: 1600 rpm; 50% load, 1900 rpm; 25% load, 1900 rpm; 75% load, adopted from the UN ECE Vehicle Regulation no. 49 (Revision 2) test protocol using pure diesel and biodiesel fuels, as well as their controlled blends. The emitted particulate assembly had lognormal size distribution in the accumulation mode regardless of the engine operational condition and the type of fuel. The total number and volume concentration emitted by the diesel engine decreased with increasing revolution per minute and rated torque in case of all the fuel types. The mixing ratio of the fuels did not linearly affect the total emission but had a minimum at 75% biodiesel content. We also studied the thermal evolution of the emitted particulates using a specially designed thermodenuder (TD) heated at specific temperatures (50 °C, 120 °C, and 250 °C). The first transition, when the temperature was increased from 50 °C to 120 °C resulted in lower number concentrations with small relative shifts of the peak position. However, in case of the second transition, when the temperature reached 250 °C the individual volatile particulates adsorbed onto the surface of soot particles were completely or partly vaporised resulting in lower total number concentrations with a substantial shift in peak position.

Controlled conformational transitions in the MVM virion expose the VP1 N-terminus and viral genome without particle disassembly.

PubMed

Cotmore, S F; D'abramo, A M; Ticknor, C M; Tattersall, P

1999-02-01

Antisera were raised against peptides corresponding to the N-termini of capsid proteins VP1 and VP2 from the parvovirus minute virus of mice. Epitopes in the 142-amino-acid VP1-specific region were not accessible in the great majority of newly released viral particles, and sera directed against them failed to neutralize virus directly or deplete stocks of infectious virions. However, brief exposure to temperatures of 45 degreesC or more induced a conformational transition in a population of full virions, but not in empty viral particles, in which VP1-specific sequences became externally accessible. In contrast, the VP2 N-terminus was antibody-accessible in all full, but not empty, particles without prior treatment. An electrophoretic mobility shift assay, in which particles were heat-treated and/or preincubated with antibodies prior to electrophoresis, confirmed this pattern of epitope accessibility, showing that the heat-induced conformational transition produces a retarded form of virion that can be supershifted by incubation with VP1-specific sera. The proportion of virions undergoing transition increased with temperature, but at all temperatures up to 70 degreesC viral particles retained structure-specific antigenic determinants and remained essentially intact, without shedding individual polypeptide species or subunits. However, despite the apparent integrity of its protective coat, the genome became accessible to externally applied enzymes in an increasing proportion of virions through this temperature range, suggesting that the conformational transitions that expose VP1 likely also allow access to the genome. Heating particles to 80 degreesC or above finally induced disassembly to polypeptide monomers. Copyright 1999 Academic Press.

Determination of Debye temperatures and Lamb-Mössbauer factors for LnFeO3 orthoferrite perovskites (Ln  =  La, Nd, Sm, Eu, Gd)

NASA Astrophysics Data System (ADS)

Scrimshire, A.; Lobera, A.; Bell, A. M. T.; Jones, A. H.; Sterianou, I.; Forder, S. D.; Bingham, P. A.

2018-03-01

Lanthanide orthoferrites have wide-ranging industrial uses including solar, catalytic and electronic applications. Here a series of lanthanide orthoferrite perovskites, LnFeO3 (Ln  =  La Nd; Sm; Eu; Gd), prepared through a standard stoichiometric wet ball milling route using oxide precursors, has been studied. Characterisation through x-ray diffraction and x-ray fluorescence confirmed the synthesis of phase-pure or near-pure LnFeO3 compounds. 57Fe Mössbauer spectroscopy was performed over a temperature range of 10 K-293 K to observe hyperfine structure and to enable calculation of the recoil-free fraction and Debye temperature (θ D) of each orthoferrite. Debye temperatures (Ln  =  La 474 K Nd 459 K Sm 457 K Eu 452 K Gd 473 K) and recoil-free fractions (Ln  =  La 0.827; Nd 0.817; Sm 0.816; Eu 0.812; Gd 0.826) were approximated through minimising the difference in the temperature dependent experimental centre shift and theoretical isomer shift, by allowing the Debye temperature and isomer shift values to vary. This method of minimising the difference between theoretical and actual values yields Debye temperatures consistent with results from other studies determined through thermal analysis methods. This displays the ability of variable-temperature Mössbauer spectroscopy to approximate Debye temperatures and recoil-free fractions, whilst observing temperature induced transitions over the temperature range observed. X-ray diffraction and Rietveld refinement show an inverse relationship between FeO6 octahedral volume and approximated Debye temperatures. Raman spectroscopy show an increase in the band positions attributed to soft modes of Ag symmetry, Ag(3) and Ag(5) from La to GdFeO3 corresponding to octahedral rotations and tilts in the [0 1 0] and [1 0 1] planes respectively.

Successive disorder to disorder phase transitions in ionic liquid [HMIM][BF4] under high pressure

NASA Astrophysics Data System (ADS)

Zhu, Xiang; Yuan, Chaosheng; Li, Haining; Zhu, Pinwen; Su, Lei; Yang, Kun; Wu, Jie; Yang, Guoqiang; Liu, Jing

2016-02-01

In situ high-pressure Raman spectroscopy and synchrotron X-ray diffraction have been employed to investigate the phase behavior of ionic liquid, 1-hexyl-3-methylimidazolium tetrafluoroborate ([HMIM][BF4]) under high pressure up to 20 GPa at room temperature. With increasing pressure, some characteristic bands of [HMIM][BF4] disappear, and some characteristic bands of [HMIM][BF4] display non-monotonic pressure-induced frequency shift and non-monotonic variation of full width at half-maximum. Two successive phase transitions at ˜1.7 GPa and 7.3 GPa have been corroborated by the results above. The glass transition pressure (Pg) of [HMIM][BF4] at ˜7.3 GPa has been obtained by ruby R1 line broadening measurements and analysis of synchrotron X-ray diffraction patterns, and its glass transition mechanism is also analyzed in detail. These facts are suggestive of two successive disorder to disorder phase transitions induced by compression, that is, [HMIM][BF4] serves as a superpressurized glass under the pressure above 7.3 GPa, which is similar to the glassy state at low temperature, and a compression-induced liquid to liquid phase transition in [HMIM][BF4] occurs at ˜1.7 GPa. Besides, the conformational equilibrium of the GAAA conformer and AAAA conformer was converted easily in liquid [HMIM][BF4], while it was difficult to be influenced in glassy state.

Search for supersolidity in solid 4He using multiple-mode torsional oscillators

PubMed Central

Eyal, Anna; Mi, Xiao; Talanov, Artem V.; Reppy, John D.

2016-01-01

In 2004, Kim and Chan (KC) reported a decrease in the period of torsional oscillators (TO) containing samples of solid 4He, as the temperature was lowered below 0.2 K [Kim E, Chan MHW (2004) Science 305(5692):1941–1944]. These unexpected results constituted the first experimental evidence that the long-predicted supersolid state of solid 4He may exist in nature. The KC results were quickly confirmed in a number of other laboratories and created great excitement in the low-temperature condensed-matter community. Since that time, however, it has become clear that the period shifts seen in the early experiments can in large part be explained by an increase in the shear modulus of the 4He solid identified by Day and Beamish [Day J, Beamish J (2007) Nature 450(7171):853–856]. Using multiple-frequency torsional oscillators, we can separate frequency-dependent period shifts arising from changes in the elastic properties of the solid 4He from possible supersolid signals, which are expected to be independent of frequency. We find in our measurements that as the temperature is lowered below 0.2 K, a clear frequency-dependent contribution to the period shift arising from changes in the 4He elastic properties is always present. For all of the cells reported in this paper, however, there is always an additional small frequency-independent contribution to the total period shift, such as would be expected in the case of a transition to a supersolid state. PMID:27222579

Fully gapped spin-singlet superconductivity in noncentrosymmetric PbTaSe2: 207Pb nuclear magnetic resonance study

NASA Astrophysics Data System (ADS)

Maeda, S.; Matano, K.; Zheng, Guo-qing

2018-05-01

We report the 207Pb nuclear magnetic resonance (NMR) measurements on polycrystalline sample of PbTaSe2 with noncentrosymmetric crystal structure and topological electronic band. The nuclear spin-lattice relaxation rate 1 /T1 shows a suppressed coherence peak below the superconducting transition temperature Tc=4.05 K and decreases as an exponential function of temperature. The penetration depth derived from the NMR spectrum is almost temperature independent below T =0.7 Tc. The Knight shift K decreases below Tc. These results suggest spin-singlet superconductivity with a fully opened gap 2 Δ =3.5 kBTc in PbTaSe2.

Phase behavior of mixtures of DPPC and POPG.

PubMed

Wiedmann, T; Salmon, A; Wong, V

1993-04-07

The phase relation of dipalmitoylphosphatidylcholine (DPPC) and 1-palmitoyl-2-oleoyl-phosphatidylglycerol (POPG) has been determined by measurement of the endothermic transitions of mixtures of DPPC and POPG in 100 mM NaCl, 50 mM PIPES (pH 7.0). With the use of differential scanning calorimetry, the gel-liquid crystalline phase transitions of pure POPG and DPPC were estimated to be 274 K and 315.8 K, respectively. With mixtures, there was considerable broadening of the endotherms, but there was no evidence of immiscibility. At high and low mole fractions of DPPC, the observed transition regions are not different from that calculated assuming ideal behavior. However in the central region of the phase diagram, there were deviations from both the ideal liquidus and solidus curves. The chemical shift anisotropy of the 13C-labelled carbonyl carbon of pure DPPC was determined as a function of temperature. At 298 K, a broad peak characteristic of axially symmetric motional averaging of the shielding tensor was observed. At a temperature of 300 K, a narrow peak at 173 ppm was superimposed upon the broad peak. The magnitude of the narrow resonance increased with temperature over the range of 300 to 315 K with the spectrum obtained at the latter point almost completely devoid of any broad features. Spectra obtained with a 9:1 mole ratio of DPPC/POPG was very similar to that obtained with pure DPPC. However, with increasing amounts of POPG, both the temperature at which the narrow resonance appeared and the temperature at which only a narrow resonance was observed were reduced. Over the range of 0 to 50 mol % POPG, there was no major change in the width or shape of the spectra which contained only a broad or narrow resonance. Also for mol % of POPG of 20% and less, there was agreement between the temperature at which only the narrow component was observed and the completion of the main phase transition based on the DSC scans. However, at the two higher mol % of 33 and 50%, the temperature at which only the narrow component was observed was lower than the temperature established for the completion of the main phase transition.

Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene

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

Leavitt, Christopher M.; Moradi, Christopher P.; Stanton, John F.

Here, hydroxymethylene (HCOH) and its d 1-isotopologue (HCOD) are isolated in low temperature helium nanodroplets following pyrolysis of glyoxylic acid. Transitions identified in the infrared spectrum are assigned exclusively to the trans-conformation based on previously reported anharmonic frequency computations. For the OH(D) and CH stretches, a-and b-type transitions are observed, and when taken in conjunction with CCSD(T)/cc-pVTZ computations, lower limits to the vibrational band origins are determined. The relative intensities of the a-and b-type transitions provide the orientation of the transition dipole moment in the inertial frame. The He nanodroplet data are in excellent agreement with anharmonic frequency computations reportedmore » here and elsewhere, confirming an appreciable Ar-matrix shift of the OH and OD stretches and strong anharmonic resonance interactions in the high-frequency stretch regions of the mid-infrared.« less

Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene

DOE PAGES

Leavitt, Christopher M.; Moradi, Christopher P.; Stanton, John F.; ...

2014-05-05

Here, hydroxymethylene (HCOH) and its d 1-isotopologue (HCOD) are isolated in low temperature helium nanodroplets following pyrolysis of glyoxylic acid. Transitions identified in the infrared spectrum are assigned exclusively to the trans-conformation based on previously reported anharmonic frequency computations. For the OH(D) and CH stretches, a-and b-type transitions are observed, and when taken in conjunction with CCSD(T)/cc-pVTZ computations, lower limits to the vibrational band origins are determined. The relative intensities of the a-and b-type transitions provide the orientation of the transition dipole moment in the inertial frame. The He nanodroplet data are in excellent agreement with anharmonic frequency computations reportedmore » here and elsewhere, confirming an appreciable Ar-matrix shift of the OH and OD stretches and strong anharmonic resonance interactions in the high-frequency stretch regions of the mid-infrared.« less

Thickness-dependent phase transition in graphite under high magnetic field

NASA Astrophysics Data System (ADS)

Taen, Toshihiro; Uchida, Kazuhito; Osada, Toshihito

2018-03-01

Various electronic phases emerge when applying high magnetic fields in graphite. However, the origin of a semimetal-insulator transition at B ≃30 T is still not clear, while an exotic density-wave state is theoretically proposed. In order to identify the electronic state of the insulator phase, we investigate the phase transition in thin-film graphite samples that were fabricated on silicon substrate by a mechanical exfoliation method. The critical magnetic fields of the semimetal-insulator transition in thin-film graphite shift to higher magnetic fields, accompanied by a reduction in temperature dependence. These results can be qualitatively reproduced by a density-wave model by introducing a quantum size effect. Our findings establish the electronic state of the insulator phase as a density-wave state standing along the out-of-plane direction, and help determine the electronic states in other high-magnetic-field phases.

Structural changes during a liquid-liquid transition in the deeply undercooled Z r58.5C u15.6N i12.8A l10.3N b2.8 bulk metallic glass forming melt

NASA Astrophysics Data System (ADS)

Stolpe, Moritz; Jonas, Isabell; Wei, Shuai; Evenson, Zach; Hembree, William; Yang, Fan; Meyer, Andreas; Busch, Ralf

2016-01-01

Using high energy synchrotron x-ray radiation combined with electrostatic levitation, in situ structural analysis of a bulk metallic glass forming liquid is performed from above the liquidus temperature down to the glass transition. The data indicate a liquid-liquid transition (LLT) in the deeply undercooled state at T /Tg˜1.2 which manifests as a maximum in the heat capacity and an abrupt shift in the first peak position of the total structure factor in the absence of a pronounced density change. Analysis of the corresponding real-space data shows that the LLT involves changes in short- and medium-range order. The structural changes on the length scale of medium-range order imply a fragile-strong transition in agreement with experimental viscosity data.

Design of a Low Gravity Simulator for Performing Non-Equilibrium Investigations near the Lambda Transition of ^4He

NASA Technical Reports Server (NTRS)

Israelsson, U. E.; Duncan, R. V.

1993-01-01

A design is presented of a low gravity simulator where a magnetic field gradient is employed to oppose the hydrostatic pressure effects of gravity. It appears feasible to reduce the effective gravity environment of the helium in the cell by about two orders of magnitude. The corresponding shift in transition temperature with vertical height would be reduced to 12.7 nK/cm. Methods for instrumenting the simulator to perform high resolution investigations of non-equilibrium phenomena near the lambda point are presented. The advantages of using a low gravity simulator in searching for the predicted change in character of the superfluid transition from continuous to first order in the presence of a heat current are also discussed.

Pigment spectra and intermolecular interaction potentials in glasses and proteins.

PubMed

Renge, I; van Grondelle, R; Dekker, J P

2007-10-01

A model is proposed for chromophore optical spectra in solids over a wide range of temperatures and pressures. Inhomogeneous band shapes and their pressure dependence, as well as baric shift coefficients of spectral lines, selected by the frequency, were derived using Lennard-Jones potentials of the ground and excited states. Quadratic electron-phonon coupling constants, describing the thermal shift and broadening of zero-phonon lines, were also calculated. Experimentally, thermal shift and broadening of spectral holes were studied between 5 and 40 K for a synthetic pigment, chlorin, embedded in polymer hosts. The baric effects on holes were determined by applying hydrostatic He gas pressure up to 200 bar, at 6 K. Absorption spectra of pheophytin a, chlorophyll a, and beta-carotene in polymers and plant photosystem II CP47 complex were measured between 5 (or 77) and 300 K, and subject to Voigtian deconvolution. A narrowing of inhomogeneous bandwidth with increasing temperature, predicted on the basis of hole behavior, was observed as the shrinking of Gaussian spectral component. The Lorentzian broadening was ascribed to optical dephasing up to 300 K in transitions with weak to moderate linear electron-phonon coupling strength. The thermal broadening is purely Gaussian in multiphonon transitions (S(2) band of beta-carotene, Soret bands of tetrapyrrolic pigments), and the Lorentz process appears to be suppressed, indicating a lack of exponential dephasing. Density, polarity, polarizability, compressibility, and other local parameters of the pigment binding sites in biologically relevant systems can be deduced from spectroscopic data, provided that sufficient background information is available.

Pigment Spectra and Intermolecular Interaction Potentials in Glasses and Proteins

PubMed Central

Renge, I.; van Grondelle, R.; Dekker, J. P.

2007-01-01

A model is proposed for chromophore optical spectra in solids over a wide range of temperatures and pressures. Inhomogeneous band shapes and their pressure dependence, as well as baric shift coefficients of spectral lines, selected by the frequency, were derived using Lennard-Jones potentials of the ground and excited states. Quadratic electron-phonon coupling constants, describing the thermal shift and broadening of zero-phonon lines, were also calculated. Experimentally, thermal shift and broadening of spectral holes were studied between 5 and 40 K for a synthetic pigment, chlorin, embedded in polymer hosts. The baric effects on holes were determined by applying hydrostatic He gas pressure up to 200 bar, at 6 K. Absorption spectra of pheophytin a, chlorophyll a, and β-carotene in polymers and plant photosystem II CP47 complex were measured between 5 (or 77) and 300 K, and subject to Voigtian deconvolution. A narrowing of inhomogeneous bandwidth with increasing temperature, predicted on the basis of hole behavior, was observed as the shrinking of Gaussian spectral component. The Lorentzian broadening was ascribed to optical dephasing up to 300 K in transitions with weak to moderate linear electron-phonon coupling strength. The thermal broadening is purely Gaussian in multiphonon transitions (S2 band of β-carotene, Soret bands of tetrapyrrolic pigments), and the Lorentz process appears to be suppressed, indicating a lack of exponential dephasing. Density, polarity, polarizability, compressibility, and other local parameters of the pigment binding sites in biologically relevant systems can be deduced from spectroscopic data, provided that sufficient background information is available. PMID:17557783

Archaeal community changes in Lateglacial lake sediments: Evidence from ancient DNA

NASA Astrophysics Data System (ADS)

Ahmed, Engy; Parducci, Laura; Unneberg, Per; Ågren, Rasmus; Schenk, Frederik; Rattray, Jayne E.; Han, Lu; Muschitiello, Francesco; Pedersen, Mikkel W.; Smittenberg, Rienk H.; Yamoah, Kweku Afrifa; Slotte, Tanja; Wohlfarth, Barbara

2018-02-01

The Lateglacial/early Holocene sediments from the ancient lake at Hässeldala Port, southern Sweden provide an important archive for the environmental and climatic shifts at the end of the last ice age and the transition into the present Interglacial. The existing multi-proxy data set highlights the complex interplay of physical and ecological changes in response to climatic shifts and lake status changes. Yet, it remains unclear how microorganisms, such as Archaea, which do not leave microscopic features in the sedimentary record, were affected by these climatic shifts. Here we present the metagenomic data set of Hässeldala Port with a special focus on the abundance and biodiversity of Archaea. This allows reconstructing for the first time the temporal succession of major Archaea groups between 13.9 and 10.8 ka BP by using ancient environmental DNA metagenomics and fossil archaeal cell membrane lipids. We then evaluate to which extent these findings reflect physical changes of the lake system, due to changes in lake-water summer temperature and seasonal lake-ice cover. We show that variations in archaeal composition and diversity were related to a variety of factors (e.g., changes in lake water temperature, duration of lake ice cover, rapid sediment infilling), which influenced bottom water conditions and the sediment-water interface. Methanogenic Archaea dominated during the Allerød and Younger Dryas pollen zones, when the ancient lake was likely stratified and anoxic for large parts of the year. The increase in archaeal diversity at the Younger Dryas/Holocene transition is explained by sediment infilling and formation of a mire/peatbog.

Hydrologic and temperature variability at Lake Titicaca over the past 50,000 years

NASA Astrophysics Data System (ADS)

Fornace, K.; Shanahan, T. M.; Sylva, S.; Ossolinski, J.; Baker, P. A.; Fritz, S. C.; Hughen, K. A.

2011-12-01

The Bolivian Altiplano has been the focus of many paleoclimate studies due to the important role it plays in the South American climate system. Although the timing of climate shifts in this region is relatively well known, the magnitudes of hydrologic versus temperature changes remain poorly quantified. Here we apply hydrogen isotope analysis (δD) of terrestrial leaf waxes and the TEX86 temperature proxy in sediments from Lake Titicaca to reconstruct hydrologic and temperature variability over the past 50,000 years. Our record reveals that the Altiplano underwent a major climate shift during the last deglaciation, reflected in a ~70-80% enrichment in leaf wax δD at the onset of the Holocene. Using the global isotope-temperature relationship for meteoric water, only 25-40% of this enrichment can be explained by the 4-5°C deglacial warming shown by the TEX86 proxy, indicating that precipitation was significantly reduced (and evaporation/evapotranspiration increased) during the Holocene. Further, the timing of these hydrologic and temperature changes was asynchronous during the transition from a cold and wet glacial state to a warm and dry Holocene. The major hydrologic shift recorded by leaf wax δD occurred around ~11-12 ka, consistent with Northern Hemisphere deglacial patterns, whereas TEX86 data indicate that rapid warming began much earlier, more typical of a Southern Hemisphere deglacial pattern. Within the late glacial and Holocene mean climate states, however, there is evidence of synchronous hydrologic and temperature variability on millennial timescales. This study demonstrates that climate on the Altiplano was controlled by the interaction of local and remote forcing on a range of timescales.

The Combined Influence of Molecular Weight and Temperature on the Aging and Viscoelastic Response of a Glassy Thermoplastic Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2000-01-01

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC-SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of five materials of different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have higher creep compliance and creep rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of M (bar) (sub w) 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly. The short-term creep compliance data were used in association with Struik's effective time theory to predict the long-term creep compliance behavior for the different molecular weights. At long timescales, physical aging serves to significantly decrease the creep compliance and creep rate of all the materials tested.

Synthesis, photophysical, and electrochemical properties of wide band gap tetraphenylsilane-carbazole derivatives: Effect of the substitution position and naphthalene side chain

NASA Astrophysics Data System (ADS)

Ho, Kar Wei; Ariffin, A.

2016-12-01

Four tetraphenylsilane-carbazole derivatives with wide bandgaps (3.38-3.55 eV) were synthesized. The effects of the substitution position and of the presence of naphthalene groups on the photophysical, electrochemical and thermal properties were investigated. The derivatives exhibited maximum absorption peaks ranging from 293 to 304 nm and maximum emission peaks ranging from 347 to 386 nm. Changing the carbazole substitution position on the tetraphenylsilane did not significantly change the photophysical and electrochemical properties. However, p-substituted compounds exhibited higher glass transition temperatures than m-substituted compounds. Naphthalene groups with bulky structures had extended the conjugation lengths that red-shifted both the absorption and emission spectra. The LUMO level was decreased, which reduced the optical bandgap and triplet energy level. However, the naphthalene groups significantly improved the thermal stability by increasing the glass transition temperature of the compounds.

Investigating the thermal dissociation of viral capsid by lattice model

NASA Astrophysics Data System (ADS)

Chen, Jingzhi; Chevreuil, Maelenn; Combet, Sophie; Lansac, Yves; Tresset, Guillaume

2017-11-01

The dissociation of icosahedral viral capsids was investigated by a homogeneous and a heterogeneous lattice model. In thermal dissociation experiments with cowpea chlorotic mottle virus and probed by small-angle neutron scattering, we observed a slight shrinkage of viral capsids, which can be related to the strengthening of the hydrophobic interaction between subunits at increasing temperature. By considering the temperature dependence of hydrophobic interaction in the homogeneous lattice model, we were able to give a better estimate of the effective charge. In the heterogeneous lattice model, two sets of lattice sites represented different capsid subunits with asymmetric interaction strengths. In that case, the dissociation of capsids was found to shift from a sharp one-step transition to a gradual two-step transition by weakening the hydrophobic interaction between AB and CC subunits. We anticipate that such lattice models will shed further light on the statistical mechanics underlying virus assembly and disassembly.

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

Markiewicz, R. S.; Buda, I. G.; Mistark, P.

Here, we propose a new approach to understand the origin of the pseudogap in the cuprates, in terms of bosonic entropy. The near-simultaneous softening of a large number of different q-bosons yields an extended range of short-range order, wherein the growth of magnetic correlations with decreasing temperature T is anomalously slow. These entropic effects cause the spectral weight associated with the Van Hove singularity (VHS) to shift rapidly and nearly linearly toward half filling at higher T, consistent with a picture of the VHS driving the pseudogap transition at a temperature ~T*. As a byproduct, we develop an order-parameter classificationmore » scheme that predicts supertransitions between families of order parameters. As one example, we find that by tuning the hopping parameters, it is possible to drive the cuprates across a transition between Mott and Slater physics, where a spin-frustrated state emerges at the crossover.« less

On the crystallization kinetics of Zr-(Co,Ni)-Al bulk metallic glasses

NASA Astrophysics Data System (ADS)

Qin, X. M.; Zhang, Q. F.; Duan, X. Y.; Wang, X. C.; Jiang, Y. H.; Zhou, R.; Tan, J.

2017-07-01

Zr-based amorphous alloys are promising materials applied in engineering field, due to their strong glass-forming ability, outstanding mechanical properties and relatively low cost. In this work, the crystallization kinetics of Zr56Co18-xNixAl16 (x = 0, 2, 4 and 8; marked as Ni0, Ni2, Ni4 and Ni8, respectively) alloys are investigated in detail. The results show that, due to the addition of Ni, the glass transition of the alloys presents obvious dynamic characteristics, i.e., with the increasing heating rate, all characteristic temperatures are shifted to higher temperature. By fitting the Kissinger equation, the glass transition activation energy of Ni8 is the highest, indicating that Ni8 is much more difficult to crystallize. Therefore, the Ni8 alloy has the strongest anti-crystallization ability in the Zr56Co18-xNixAl16 alloys investigated.

Tamoxifen-model membrane interactions: an FT-IR study

NASA Astrophysics Data System (ADS)

Boyar, Handan; Severcan, Feride

1997-06-01

The temperature- and concentration-induced effects of tamoxifen (TAM) on dipalmitoyl phosphatidylcholine (DPPC) model membranes were investigated by the Fourier transform-infrared (FT-IR) spectroscopic technique. An investigation of the C-H stretching region and the CO mode reveals that the inclusion of TAM changes the physical properties of the DPPC multibilayers by (i) shifting the main phase transition to lower temperatures; (ii) broadening the transition profile slightly; (iii) disordering the system in the gel and in the liquid crystalline phases; (iv) increasing the dynamics in the gel phase and decreasing the dynamics of the acyl chains in the liquid crystalline phase; (v) increasing the mobility of the terminal methyl group region of the bilayer in the gel phase and decreasing it in the liquid crystalline phase; (vi) increasing the frequency of the CO stretching mode both in the gel and in the liquid crystalline phases, i.e. non-bonding with carbonyl groups.

Novel Electronic Structures of Ru-pnictides RuPn (Pn = P, As, Sb)

NASA Astrophysics Data System (ADS)

Goto, H.; Toriyama, T.; Konishi, T.; Ohta, Y.

Density-functional-theory-based electronic structure calculations are made to consider the novel electronic states of Ru-pnictides RuP and RuAs where the intriguing phase transitions and superconductivity under doping of Rh have been reported. We find that there appear nearly degenerate flat bands just at the Fermi level in the high-temperature metallic phase of RuP and RuAs; the flat-band states come mainly from the 4dxy orbitals of Ru ions and the Rh doping shifts the Fermi level just above the flat bands. The splitting of the flat bands caused by their electronic instability may then be responsible for the observed phase transition to the nonmagnetic insulating phase at low temperatures. We also find that the band structure calculated for RuSb resembles that of the doped RuP and RuAs, which is consistent with experiment where superconductivity occurs in RuSb without Rh doping.

Isotope shift of 40,42,44,48Ca in the 4s 2S1/2 → 4p 2P3/2 transition

NASA Astrophysics Data System (ADS)

Gorges, C.; Blaum, K.; Frömmgen, N.; Geppert, Ch; Hammen, M.; Kaufmann, S.; Krämer, J.; Krieger, A.; Neugart, R.; Sánchez, R.; Nörtershäuser, W.

2015-12-01

We report on improved isotope shift measurements of the isotopes {}{40,42,{44,48}}Ca in the 4{{s}}{ }2{{{S}}}1/2\\to 4{{p}}{ }2{{{P}}}3/2 (D2) transition using collinear laser spectroscopy. Accurately known isotope shifts in the 4{{s}}{ }2{{{S}}}1/2\\to 4{{p}}{ }2{{{P}}}1/2(D1) transition were used to calibrate the ion beam energy with an uncertainty of {{Δ }}U≈ +/- 0.25 {{V}}. The accuracy in the D2 transition was improved by a factor of 5-10. A King-plot analysis of the two transitions revealed that the field shift factor in the D2 line is about 1.8(13)% larger than in the D1 transition which is ascribed to relativistic contributions of the 4{{{p}}}1/2 wave function.

Instanton-dyon ensembles reproduce deconfinement and chiral restoration phase transitions

NASA Astrophysics Data System (ADS)

Shuryak, Edward

2018-03-01

Paradigm shift in gauge topology at finite temperatures, from the instantons to their constituents - instanton-dyons - has recently lead to studies of their ensembles and very significant advances. Like instantons, they have fermionic zero modes, and their collectivization at suffciently high density explains the chiral symmetry breaking transition. Unlike instantons, these objects have electric and magnetic charges. Simulations of the instanton-dyon ensembles have demonstrated that their back reaction on the Polyakov line modifies its potential and generates the deconfinement phase transition. For the Nc = 2 gauge theory the transition is second order, for QCD-like theory with Nc = 2 and two light quark flavors Nf = 2 both transitions are weak crossovers at happening at about the same condition. Introduction of quark-flavor-dependent periodicity phases (imaginary chemical potentials) leads to drastic changes in both transitions. In particulaly, in the so called Z(Nc) - QCD model the deconfinement transforms to strong first order transition, while the chiral condensate does not disappear at all. The talk will also cover more detailed studies of correlations between the dyons, effective eta' mass and other screening masses.

Combined effects of Sr substitution and pressure on the ground states in CaFe 2 As 2

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

Knoner, S.; Gati, E.; Kohler, S.

2016-10-21

Here, we present a detailed study of the combined effects of Sr substitution and hydrostatic pressure on the ground-state properties of CaFe 2As 2. Measurements of the electrical resistance and magnetic susceptibility, both at ambient and finite pressure P ≤ 2 GPa, were performed on Ca 1–xSr xFe 2As 2 single crystals grown out of Sn flux. We find that by Sr substitution the transition temperature to the magnetic/structural phase is enhanced and therefore a higher pressure is needed to suppress the transition to lowest temperature. In addition, the transition to the collapsed tetragonal phase is found at a pressure,more » which is distinctly higher than in the pure compound. This implies that the stability ranges of both phases shift on the pressure-axis upon doping, but the latter one with a higher rate. These observations suggest the possibility of separating the two phase lines, which intersect already at elevated temperatures for x = 0 and low Sr concentration levels. For x = 0.177, we find strong evidence that both phases remain separated down to the lowest temperature and that a zero-resistance state emerges in this intermediate pressure window. This observation indicates that Sr substitution combined with hydrostatic pressure provides another route for stabilizing superconductivity in CaFe 2As 2. Lastly, our results are consistent with the notion that (i) preserving the fluctuations associated with the structural-magnetic transition to low temperatures is vital for superconductivity to form in this material and that (ii) the nonmagnetic collapsed tetragonal phase is detrimental for superconductivity.« less

Role of SiO2 coating in multiferroic CoCr2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Kamran, M.; Ullah, Asmat; Mehmood, Y.; Nadeem, K.; Krenn, H.

2017-02-01

Effect of silica (SiO2) coating concentration on structural and magnetic properties of multiferroic cobalt chromite (CoCr2O4) nanoparticles have been studied. The nanoparticles with average crystallite size in the range 19 to 28 nm were synthesised by sol-gel method. X-ray diffraction (XRD) analysis has verified the composition of single-phase cubic normal spinel structure of CoCr2O4 nanoparticles. The average crystallite size and cell parameter decreased with increasing SiO2 concentration. TEM image revealed that the shape of nanoparticles was non-spherical. Zero field cooled/field cooled (ZFC/FC) curves revealed that nanoparticles underwent a transition from paramagnetic (PM) state to collinear short-range ferrimagnetic (FiM) state, and this PM-FiM transition temperature decreased from 101 to 95 K with increasing SiO2 concentration or decreasing crystallite size. A conical spin state at Ts = 27 K was also observed for all the samples which decreased with decreasing average crystallite size. Low temperature lock-in transition was also observed in these nanoparticles at 12 K for uncoated nanoparticles which slightly shifted towards low temperature with decreasing average crystallite size. Saturation magnetization (Ms) showed decreasing trend with increasing SiO2 concentration, which was due to decrease in average crystallite size of nanoparticles and enhanced surface disorder in smaller nanoparticles. The temperature dependent AC-susceptibility also showed the decrease in the transition temperature (Tc), broadening of the Tc peak and decrease in magnetization with increasing SiO2 concentration or decreasing average crystallite size. In summary, the concentration of SiO2 has significantly affected the structural and magnetic properties of CoCr2O4 nanoparticles.

Changes in EEG activity and hypothalamic temperature as indices for non-REM sleep to REM sleep transitions.

PubMed

Capitani, Paolo; Cerri, Matteo; Amici, Roberto; Baracchi, Francesca; Jones, Christine Ann; Luppi, Marco; Perez, Emanuele; Parmeggiani, Pier Luigi; Zamboni, Giovanni

A shift of physiological regulations from a homeostatic to a non-homeostatic modality characterizes the passage from non-NREM sleep (NREMS) to REM sleep (REMS). In the rat, an EEG index which allows the automatic scoring of transitions from NREMS to REMS has been proposed: the NREMS to REMS transition indicator value, NIV [J.H. Benington et al., Sleep 17 (1994) 28-36]. However, such transitions are not always followed by a REMS episode, but are often followed by an awakening. In the present study, the relationship between changes in EEG activity and hypothalamic temperature (Thy), taken as an index of autonomic activity, was studied within a window consisting of the 60s which precedes a state change from a consolidated NREMS episode. Furthermore, the probability that a transition would lead to REMS or wake was analysed. The results showed that, within this time window, both a modified NIV (NIV(60)) and the difference between Thy at the limits of the window (Thy(D)) were related to the probability of REMS onset. Both the relationship between the indices and the probability of REMS onset was sigmoid, the latter of which saturated at a probability level around 50-60%. The efficacy for the prediction of successful transitions from NREMS to REMS found using Thy(D) as an index supports the view that such a transition is a dynamic process where the physiological risk to enter REMS is weighted at a central level.

Second-order quadrupolar line shapes under molecular dynamics: An additional transition in the extremely fast regime.

PubMed

Hung, Ivan; Wu, Gang; Gan, Zhehong

NMR spectroscopy is a powerful tool for probing molecular dynamics. For the classic case of two-site exchange, NMR spectra go through the transition from exchange broadening through coalescence and then motional narrowing as the exchange rate increases passing through the difference between the resonance frequencies of the two sites. For central-transition spectra of half-integer quadrupolar nuclei in solids, line shape change due to molecular dynamics occurs in two stages. The first stage occurs when the exchange rate is comparable to the second-order quadrupolar interaction. The second spectral transition comes at a faster exchange rate which approaches the Larmor frequency and generally reduces the isotropic quadrupolar shift. Such a two-stage transition phenomenon is unique to half-integer quadrupolar nuclei. A quantum mechanical formalism in full Liouville space is presented to explain the physical origin of the two-stage phenomenon and for use in spectral simulations. Variable-temperature 17 O NMR of solid NaNO 3 in which the NO 3 - ion undergoes 3-fold jumps confirms the two-stage transition process. The spectra of NaNO 3 acquired in the temperature range of 173-413K agree well with simulations using the quantum mechanical formalism. The rate constants for the 3-fold NO 3 - ion jumps span eight orders of magnitude (10 2 -10 10 s -1 ) covering both transitions of the dynamic 17 O line shape. Copyright © 2016 Elsevier Inc. All rights reserved.

Complex conductance of ultrathin La 2-xSr xCuO 4 films and heterostructures

DOE PAGES

V. A. Gasparov; Bozovic, I.

2015-10-23

We used atomic-layer molecular beam epitaxy to synthesize bilayers of a cuprate metal (La 1.55Sr 0.45CuO 4) and a cuprate insulator (La 2CuO 4), in which each layer is just one unit cells thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films. Experiments have been carried out at frequencies between 2 and 50 MHz using the single-spiral coil technique. We found that: (i) the inductive response starts at ΔT = 3 K lower temperatures than Re σ(T), which in turn is characterized by a peak close to the transition, (ii)more » this shift is almost constant with magnetic field up to 14 mT; (iii) ΔT increases sharply up to 4 K at larger fields and becomes constant up to 8 T; (iv) the vortexdiffusion constant D(T) is not linear with T at low temperatures as in the case of free vortices, but is rather exponential due to pinning of vortex cores, and (v) the dynamic Berezinski–Kosterlitz–Thouless (BKT) transition temperature occurs at the point where Y=(l ω/ξ+) 2 = 1. As a result, our experimental results can be described well by the extended dynamic theory of the BKT transition and dynamics of bound vortex–antivortex pairs with short separation lengths.« less

Accurate determination of black-body radiation shift, magic and tune-out wavelengths for the 6S1/2 \\rightarrow 5D3/2 clock transition in Yb+

NASA Astrophysics Data System (ADS)

Roy, A.; De, S.; Arora, Bindiya; Sahoo, B. K.

2017-10-01

We present precise values of the dipole polarizabilities (α) of the ground [4{{{f}}}146{{s}}]{}2{{{S}}}1/2 and metastable [4{{{f}}}145{{d}}]{}2{{{D}}}3/2 states of Yb+, that are important in reducing systematics in the clock frequency of the [4{{{f}}}146{{s}}]{}2{{{S}}}1/2\\to [4{{{f}}}145{{d}}]{}2{{{D}}}3/2 transition. The static values of α for the ground and [4{{{f}}}145{{d}}]{}2{{{D}}}3/2 states are estimated to be 9.8(1)× {10}-40 {{{J}}{{m}}}2 {{{V}}}-2 and 17.6(5) × {10}-40 {{J}} {{{m}}}2 {{{V}}}-2, respectively, while the tensor contribution to the [4{{{f}}}145{{d}}]{}2{{{D}}}3/2 state as -12.3(3)× {10}-40 {{{J}}{{m}}}2 {{{V}}}-2 compared to the experimental value -13.6(22)× {10}-40 {{J}} {{{m}}}2 {{{V}}}-2. This corresponds to the differential scalar polarizability value of the above transition as -7.8(5) × {10}-40 {{{J}}{{m}}}2 {{{V}}}-2 in contrast to the available experimental value -6.9(1.4) × {10}-40 J m2 V-2 . This results in the black-body radiation shift of the clock transition as -0.44(3) Hz at the room temperature, which is large as compared to the previously estimated values. Using the dynamic α values, we report the tune-out and magic wavelengths that could be of interest to subdue systematics due to the Stark shifts and for constructing lattice optical clock using Yb+.

Cavity Ring-Down Absorption of O2 in Air as a Temperature Sensor for an Open and a Cryogenic Optical Cavity.

PubMed

Nyaupane, Parashu R; Perez-Delgado, Yasnahir; Camejo, David; Wright, Lesley M; Manzanares, Carlos E

2017-05-01

The A-band of oxygen has been measured at low resolution at temperatures between 90 K and 373 K using the phase shift cavity ring down (PS-CRD) technique. For temperatures between 90 K and 295 K, the PS-CRD technique presented here involves an optical cavity attached to a cryostat. The static cell and mirrors of the optical cavity are all inside a vacuum chamber at the same temperature of the cryostat. The temperature of the cell can be changed between 77 K and 295 K. For temperatures above 295 K, a hollow glass cylindrical tube without windows has been inserted inside an optical cavity to measure the temperature of air flowing through the tube. The cavity consists of two highly reflective mirrors which are mounted parallel to each other and separated by a distance of 93 cm. In this experiment, air is passed through a heated tube. The temperature of the air flowing through the tube is determined by measuring the intensity of the oxygen absorption as a function of the wavenumber. The A-band of oxygen is measured between 298 K and 373 K, with several air flow rates. To obtain the temperature, the energy of the lower rotational state for seven selected rotational transitions is linearly fitted to a logarithmic function that contains the relative intensity of the rotational transition, the initial and final rotational quantum numbers, and the energy of the transition. Accuracy of the temperature measurement is determined by comparing the calculated temperature from the spectra with the temperature obtained from a calibrated thermocouple inserted at the center of the tube. This flowing air temperature sensor will be used to measure the temperatures of cooling air at the input (cold air) and output (hot air) after cooling the blades of a laboratory gas turbine. The results could contribute to improvements in turbine blade cooling design.

Magnetic transition in Y-site doped multiferroic YMnO3

NASA Astrophysics Data System (ADS)

Thakur, Rajesh K.; Thakur, Rasna; Gaur, N. K.

2016-05-01

We have synthesized polycrystalline hexagonal Y1-xSrxMnO3 (x=0.02, 0.1) compounds by using conventional solid state reaction method. The detailed structural investigations are carried out by using XRD studies which reveals the single phase formation of the reported compounds with hexagonal structure and space group P63cm (JCPDS: 25-1079). Further the XRD data of reported compounds were analyzed by RIETVELD (FULLPROFF) method which shows the decrease in the lattice parameter with increasing concentration of divalent strontium to Y-site. The observed pointed kinks in the specific heat study are indicative of the probable coupling in between the electric and magnetic orders in this class of materials. The reported systematic specific heat studies shows that the antiferromagnetic (AFM) transition temperature (TN) shifts to higher value with increasing concentration of Sr2+ ion in the YMnO3 compound which is attributed to the enhanced lattice contribution to the specific heat in the this compound. The present compound shows the independence of specific heat and magnetic transition temperature with applied magnetic field of 8T and 12T.

Stimulus-Responsive Nanoparticles and Associated (Reversible) Polymorphism via Polymerization Induced Self-assembly (PISA).

PubMed

Pei, Yiwen; Lowe, Andrew B; Roth, Peter J

2017-01-01

Polymerization-induced self-assembly (PISA) is an extremely versatile method for the in situ preparation of soft-matter nanoparticles of defined size and morphologies at high concentrations, suitable for large-scale production. Recently, certain PISA-prepared nanoparticles have been shown to exhibit reversible polymorphism ("shape-shifting"), typically between micellar, worm-like, and vesicular phases (order-order transitions), in response to external stimuli including temperature, pH, electrolytes, and chemical modification. This review summarises the literature to date and describes molecular requirements for the design of stimulus-responsive nano-objects. Reversible pH-responsive behavior is rationalised in terms of increased solvation of reversibly ionized groups. Temperature-triggered order-order transitions, conversely, do not rely on inherently thermo-responsive polymers, but are explained based on interfacial LCST or UCST behavior that affects the volume fractions of the core and stabilizer blocks. Irreversible morphology transitions, on the other hand, can result from chemical post-modification of reactive PISA-made particles. Emerging applications and future research directions of this "smart" nanoparticle behavior are reviewed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Intrinsic circannual regulation of brown adipose tissue form and function in tune with hibernation

PubMed Central

Hindle, Allyson G.

2013-01-01

Winter hibernators repeatedly cycle between cold torpor and rewarming supported by nonshivering thermogenesis in brown adipose tissue (BAT). In contrast, summer animals are homeotherms, undergoing reproduction, growth, and fattening. This life history confers variability to BAT recruitment and activity. To address the components underlying prewinter enhancement and winter activation, we interrogated the BAT proteome in 13-lined ground squirrels among three summer and five winter states. We also examined mixed physiology in fall and spring individuals to test for ambient temperature and seasonal effects, as well as the timing of seasonal transitions. BAT form and function differ circannually in these animals, as evidenced by morphology and proteome dynamics. This intrinsic pattern distinguished homeothermic groups and early vs. late winter hibernators. Homeothermic variation derived from postemergence delay in growth and substrate biosynthesis. The heterothermic proteome varied less despite extreme winter physiological shifts and was optimized to exploit lipids by enhanced fatty acid binding, β-oxidation, and mitochondrial protein translocation. Surprisingly, ambient temperature did not affect the BAT proteome during transition seasons; rather, the pronounced summer-winter shift preceded environmental changes and phenotypic progression. During fall transition, differential regulation of two fatty acid binding proteins provides further evidence of recruitment and separates proteomic preparation from successful hibernation. Abundance of FABP4 correlates with torpor bout length throughout the year, clarifying its potential function in hibernation. Metabolically active BAT is a target for treating human obesity and metabolic disorders. Understanding the hibernator's extreme and seasonally distinct recruitment and activation control strategies offers untapped potential to identify novel, therapeutically relevant regulatory pathways. PMID:24326419

Detecting Axion Dark Matter with Superconducting Qubits

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

Dixit, Akash; Chou, Aaron; Schuster, David

Axion dark matter haloscopes aim to detect dark matter axions converting to single photons in resonant cavities bathed in a uniform magnetic field. A qubit (two level system) operating as a single microwave photon detector is a viable readout system for such detectors and may offer advantages over the quantum limited amplifiers currently used. When weakly coupled to the detection cavity, the qubit transition frequency is shifted by an amount proportional to the cavity photon number. Through spectroscopy of the qubit, the frequency shift is measured and the cavity occupation number is extracted. At low enough temperatures, this would allowmore » sensitivities exceeding that of the standard quantum limit.« less

First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

NASA Astrophysics Data System (ADS)

Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.

2018-04-01

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

High Resolution NMR ^15N and ^31P NMR Of Antiferroelectric Phase Transition in Ammonium Dihydrogen Arsenate and Ammonium Dihydrogen Phosphate

NASA Astrophysics Data System (ADS)

Gunaydin-Sen, Ozge

2005-03-01

Natural abundance ^15N CPMAS NMR has been used to investigate the paraelectric-antiferroelectric phase transition of NH4H2AsO4 (ADA) (TN˜216K) and of NH4H2PO4 (ADP) (148K), with a focus on the role of the NH4^+ ion. Isotropic chemical shift of ^15N for ADA exhibits an almost linear temperature dependence to within TN±1K, and then changes discontinuously, followed by another almost linear dependence. The spectra of the paraelectric and antiferroelectric phases coexist around the TN. The sharp anomaly around TN implies that the NH4^+ ions undergo a displacive transition, whereas the protons in the O-HO bonds undergo an order-disorder transition. The ^15N data thus support a mixed order-disorder-displacive mechanism for this transition. The ^15N data on ADP exhibit somewhat different behavior. ^31P CPMAS measurements will also be presented and discussed in terms of the above model.

Effect of neutron irradiation at low temperature on the embrittlement of the reduced-activation ferritic steels

NASA Astrophysics Data System (ADS)

Rybin, V. V.; Kursevich, I. P.; Lapin, A. N.

1998-10-01

Effects of neutron irradiation to fluence of 2.0 × 10 24 n/m 2 ( E > 0.5 MeV) in temperature range 70-300°C on mechanical properties and structure of the experimental reduced-activation ferritic 0.1%C-(2.5-12)%Cr-(1-2)%W-(0.2-0.7)%V alloys were investigated. The steels were studied in different initial structural conditions obtained by changing the modes of heat treatments. Effect of neutron irradiation estimated by a shift in ductile-brittle transition temperature (ΔDBTT) and reduction of upper shelf energy (ΔUSE) highly depends on both irradiation condition and steel chemical composition and structure. For the steel with optimum chemical composition (9Cr-1.5WV) after irradiation to 2 × 10 24 n/m 2 ( E ⩾ 0.5 MeV) at 280°C the ΔDBTT does not exceed 25°C. The shift in DBTT increased from 35°C to 110°C for the 8Cr-1.5WV steel at a decrease in irradiation temperature from 300°C to 70°C. The CCT diagrams are presented for several reduced-activated steels.

Phase behavior of Langmuir monolayers with ionic molecular heads: Molecular simulations

NASA Astrophysics Data System (ADS)

González-Castro, Carlos A.; Ramírez-Santiago, Guillermo

2015-03-01

We carried out Monte Carlo simulations in the N ,Π,T ensemble of a Langmuir monolayer coarse-grained molecular model. Considering that the hydrophilic groups can be ionized by modulating acid-base interactions, here we study the phase behavior of a model that incorporates the short-range steric and long-range ionic interactions. The simulations were carried out in the reduced temperature range 0.1 ≤T*<4.0 , where there is a competition of these interactions. Different order parameters were calculated and analyzed for several values of the reduced surface pressure in the interval, 1 ≤Π*≤40. For most of the surface pressures two directions of molecular tilt were found: (i) towards the nearest neighbor (NN) at low temperatures, T*<0.7, and most of the values of Π* and (ii) towards next-nearest neighbors (NNN) in the temperature interval 0.7 ≤T*<1.1 for Π*<25. We also found the coexistence of the NN and NNN at intermediate temperatures and Π*>25 . A low-temperature reentrant disorder-order-disorder transition in the positions of the molecular heads and in the collective tilt of the tails was found for all the surface pressure values. It was also found that the molecular tails arranged forming "rotating patterns" in the temperature interval, 0.5

Synthesis and photophysical properties of aluminium tris-(4-morpholine-8-hydroxyquinoline).

PubMed

Omar, Walaa A E

2013-11-01

Aluminium tris(4-morpholinyl-8-hydroxyquinoline) has been synthesized and characterized. The photoluminescence measurements showed that the new derivative is blue shifted and has relative photoluminescence quantum yield two times higher compared to the pristine Al tris(8-hydroxyquinoline). Deferential scanning colorimetric studies revealed that the newly synthesized Alq3 derivative in this work is amorphous material with the highest transition glass temperature value among the reported amorphous Alq3 derivatives.

Conformation analysis and molecular mobility of ethylene and tetrafluoroethylene copolymer using solid-state 19F MAS and 1H --> 19F CP/MAS NMR spectroscopy.

PubMed

Aimi, Keitaro; Ando, Shinji

2004-07-01

The changes in the conformation and molecular mobility accompanied by a phase transition in the crystalline domain were analyzed for ethylene (E) and tetrafluoroethylene (TFE) copolymer, ETFE, using variable-temperature (VT) solid-state 19F magic angle spinning (MAS) and 1H --> 19F cross-polarization (CP)/MAS NMR spectroscopy. The shifts of the signals for fluorines in TFE units to higher frequency and the continuing decrease and increase in the T1rho(F) values suggest that conformational exchange motions exist in the crystalline domain between 42 and 145 degrees C. Quantum chemical calculations of magnetic shielding constants showed that the high-frequency shift of TFE units should be induced by trans to gauche conformational changes at the CH2-CF2 linkage in the E-TFE unit. Although the 19F signals of the crystalline domain are substantially overlapped with those of the amorphous domain at ambient probe temperature (68 degrees C), they were successfully distinguished by using the dipolar filter and spin-lock pulse sequences at 145 degrees C. The dipolar coupling constants for the crystalline domain, which can be estimated by fitting the dipolar oscillation behaviors in the 1H --> 19F CP curve, showed a significant decrease with increasing temperature from 42 to 145 degrees C. This is due to the averaging of 1H-19F dipolar interactions originating from the molecular motion in the crystalline domain. The increase in molecular mobility in the crystalline domain was clearly shown by VT T1rho(F) and 1H --> 19F CP measurements in the phase transition temperature range. Copyright 2004 John Wiley & Sons, Ltd.

Non-destructive inspection approach using ultrasound to identify the material state for amorphous and semi-crystalline materials

NASA Astrophysics Data System (ADS)

Jost, Elliott; Jack, David; Moore, David

2018-04-01

At present, there are many methods to identify the temperature and phase of a material using invasive techniques. However, most current methods require physical contact or implicit methods utilizing light reflectance of the specimen. This work presents a nondestructive inspection method using ultrasonic wave technology that circumvents these disadvantages to identify phase change regions and infer the temperature state of a material. In the present study an experiment is performed to monitor the time of flight within a wax as it undergoes melting and the subsequent cooling. Results presented in this work show a clear relationship between a material's speed of sound and its temperature. The phase change transition of the material is clear from the time of flight results, and in the case of the investigated material, this change in the material state occurs over a range of temperatures. The range of temperatures over which the wax material melts is readily identified by speed of sound represented as a function of material temperature. The melt temperature, obtained acoustically, is validated using Differential Scanning Calorimetry (DSC), which uses shifts in heat flow rates to identify phase transition temperature ranges. The investigated ultrasonic NDE method has direct applications in many industries, including oil and gas, food and beverage, and polymer composites, in addition to many implications for future capabilities of nondestructive inspection of multi-phase materials.

Impact properties of irradiated HT9 from the fuel duct of FFTF

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

Byun, Thak Sang; Lewis, W. Daniel; Toloczko, Mychailo B.

2012-02-01

This paper reports Charpy impact test data for the ACO-3 duct material (HT9) from the Fast Flux Test Facility (FFTF) and its archive material. Irradiation doses for the specimens were in the range of 3– 148 dpa and irradiation temperatures in the range of 378–504 *C. The impact tests were performed for the small V-notched Charpy specimens with dimensions of 3 * 4 * 27 mm at an impact speed of 3.2 m/s in a 25 J capacity machine. Irradiation lowered the upper-shelf energy (USE) and increased the transition temperatures significantly. The shift of ductile–brittle transition temperatures (DDBTT) was greatermore » after relatively low temperature irradiation. The USE values were in the range of 5.5–6.7 J before irradiation and decreased to the range of 2–5 J after irradiation. Lower USEs were measured for lower irradiation temperatures and specimens with T-L orientation. The dose dependences of transition temperature and USE were not significant because of the radiation effect on impact behavior nearly saturated at the lowest dose of about 3 dpa. A comparison showed that the lateral expansion of specimens showed a linear correlation with absorbed impact energy, but with large scatter in the results. Size effect was also discussed to clarify the differences in the impact property data from subsize and standard specimens as well as to provide a basis for comparison of data from different specimens. The USE and DDBTT data from different studies were compared.« less

Impact properties of irradiated HT9 from the fuel duct of FFTF

NASA Astrophysics Data System (ADS)

Byun, Thak Sang; Daniel Lewis, W.; Toloczko, Mychailo B.; Maloy, Stuart A.

2012-02-01

This paper reports Charpy impact test data for the ACO-3 duct material (HT9) from the Fast Flux Test Facility (FFTF) and its archive material. Irradiation doses for the specimens were in the range of 3-148 dpa and irradiation temperatures in the range of 378-504 °C. The impact tests were performed for the small V-notched Charpy specimens with dimensions of 3 × 4 × 27 mm at an impact speed of 3.2 m/s in a 25 J capacity machine. Irradiation lowered the upper-shelf energy (USE) and increased the transition temperatures significantly. The shift of ductile-brittle transition temperatures (ΔDBTT) was greater after relatively low temperature irradiation. The USE values were in the range of 5.5-6.7 J before irradiation and decreased to the range of 2-5 J after irradiation. Lower USEs were measured for lower irradiation temperatures and specimens with T-L orientation. The dose dependences of transition temperature and USE were not significant because of the radiation effect on impact behavior nearly saturated at the lowest dose of about 3 dpa. A comparison showed that the lateral expansion of specimens showed a linear correlation with absorbed impact energy, but with large scatter in the results. Size effect was also discussed to clarify the differences in the impact property data from subsize and standard specimens as well as to provide a basis for comparison of data from different specimens. The USE and ΔDBTT data from different studies were compared.

Influence of annealing temperature on optical properties of the photonic-crystal structures obtained by self-organization of colloidal microspheres of polystyrene and silica

NASA Astrophysics Data System (ADS)

Mikhnev, L. V.; Bondarenko, E. A.; Chapura, O. M.; Skomorokhov, A. A.; Kravtsov, A. A.

2018-01-01

The influence of annealing temperature on the transmission spectra of photonic crystals composed of polystyrene and silicon dioxide microspheres was studied. It was found that annealing of photonic crystals based on polystyrene and silica leads to a shift in the photonic band gap to the short-wavelength region. Based on the results of optical studies, the dependences of the structural parameters of the obtained opal-like crystals on annealing temperature were obtained. In the case of polystyrene photonic crystals, the displacement of the photonic band gap is observed in a narrow temperature range above the glass transition temperature. For SiO2 photonic crystals, it was found that the process of microspheres sintering is complex and involves three stages of structural modification.

Investigation of breadboard temperature profiling system for SSME fuel preburner diagnostics

NASA Technical Reports Server (NTRS)

Shirley, J. A.

1986-01-01

The feasibility of measuring temperatures in the space shuttle main engine (SSME) fuel preburner using spontaneous Raman scattering from molecular hydrogen was studied. Laser radiation is transmitted to the preburner through a multimode optical fiber. Backscattered Raman-shifted light is collected and focused into a second fiber which connects to a remote-located spectrograph and a mutlichannel optical detector. Optics collimate and focus laser light from the transmitter fiber defining the probe volume. The high pressure, high temperature preburner environment was simulated by a heated pressure cell. Temperatures determined by the distribution of Q-branch co-vibrational transitions demonstrate precision and accuracy of 3%. It is indicated heat preburner temperatures can be determined with 5% accuracy with spatial resolution less than 1 cm and temporal resolution of 10 millisec at the nominal preburner operation conditions.

Diffuse Phase Transitions and Giant Electrostrictive Coefficients in Lead-Free Fe3+-Doped 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 Ferroelectric Ceramics.

PubMed

Jin, Li; Huo, Renjie; Guo, Runping; Li, Fei; Wang, Dawei; Tian, Ye; Hu, Qingyuan; Wei, Xiaoyong; He, Zhanbing; Yan, Yan; Liu, Gang

2016-11-16

The electrostrictive effect has some advantages over the piezoelectric effect, including temperature stability and hysteresis-free character. In the present work, we report the diffuse phase transitions and electrostrictive properties in lead-free Fe 3+ -doped 0.5Ba(Zr 0.2 Ti 0.8 )O 3 -0.5(Ba 0.7 Ca 0.3 )TiO 3 (BZT-0.5BCT) ferroelectric ceramics. The doping concentration was set from 0.25 to 2 mol %. It is found that by introducing Fe 3+ ion into BZT-0.5BCT, the temperature corresponding to permittivity maximum T m was shifted toward lower temperature monotonically by 37 °C per mol % Fe 3+ ion. Simultaneously, the phase transitions gradually changed from classical ferroelectric-to-paraelectric phase transitions into diffuse phase transitions with a weak relaxor characteristic. Purely electrostrictive responses with giant electrostrictive coefficient Q 33 between 0.04 and 0.05 m 4 /C 2 are observed from 25 to 100 °C for the compositions doped with 1-2 mol % Fe 3+ ion. The Q 33 of Fe 3+ -doped BZT-0.5BCT ceramics is almost twice the Q 33 of other ferroelectric ceramics. These observations suggest that the present system can be considered as a potential lead-free material for the applications in electrostrictive area and that BT-based ferroelectric ceramics would have giant electrostrictive coefficient over other ferroelectric systems.

Structural transition and enhanced phase transition properties of Se doped Ge2Sb2Te5 alloys

NASA Astrophysics Data System (ADS)

Vinod, E. M.; Ramesh, K.; Sangunni, K. S.

2015-01-01

Amorphous Ge2Sb2Te5 (GST) alloy, upon heating crystallize to a metastable NaCl structure around 150°C and then to a stable hexagonal structure at high temperatures (>=250°C). It has been generally understood that the phase change takes place between amorphous and the metastable NaCl structure and not between the amorphous and the stable hexagonal phase. In the present work, it is observed that the thermally evaporated (GST)1-xSex thin films (0 <= x <= 0.50) crystallize directly to the stable hexagonal structure for x >= 0.10, when annealed at temperatures >= 150°C. The intermediate NaCl structure has been observed only for x < 0.10. Chemically ordered network of GST is largely modified for x >= 0.10. Resistance, thermal stability and threshold voltage of the films are found to increase with the increase of Se. The contrast in electrical resistivity between the amorphous and crystalline phases is about 6 orders of magnitude. The increase in Se shifts the absorption edge to lower wavelength and the band gap widens from 0.63 to 1.05 eV. Higher resistance ratio, higher crystallization temperature, direct transition to the stable phase indicate that (GST)1-xSex films are better candidates for phase change memory applications.

Heavy NP shift is the parser’s last resort: Evidence from eye movements ⋆

PubMed Central

Staub, Adrian; Clifton, Charles; Frazier, Lyn

2006-01-01

Two eye movement experiments explored the roles of verbal subcategorization possibilities and transitivity biases in the processing of heavy NP shift sentences in which the verb’s direct object appears to the right of a post-verbal phrase. In Experiment 1, participants read sentences in which a prepositional phrase immediately followed the verb, which was either obligatorily transitive or had a high transitivity bias (e.g., Jack praised/watched from the stands his daughter’s attempt to shoot a basket). Experiment 2 compared unshifted sentences to sentences in which an adverb intervened between the verb and its object, and obligatorily transitive verbs to optionally transitive verbs with widely varying transitivity biases. In both experiments, evidence of processing difficulty appeared on the material that intervened between the verb and its object when the verb was obligatorily transitive, and on the shifted direct object when the verb was optionally transitive, regardless of transitivity bias. We conclude that the parser adopts the heavy NP shift analysis only when it is forced to by the grammar, which we interpret in terms of a preference for immediate incremental interpretation. PMID:17047731

Climate change and temperature-dependent biogeography: oxygen limitation of thermal tolerance in animals.

PubMed

Pörtner, H O

2001-04-01

Recent years have shown a rise in mean global temperatures and a shift in the geographical distribution of ectothermic animals. For a cause and effect analysis the present paper discusses those physiological processes limiting thermal tolerance. The lower heat tolerance in metazoa compared with unicellular eukaryotes and bacteria suggests that a complex systemic rather than molecular process is limiting in metazoa. Whole-animal aerobic scope appears as the first process limited at low and high temperatures, linked to the progressively insufficient capacity of circulation and ventilation. Oxygen levels in body fluids may decrease, reflecting excessive oxygen demand at high temperatures or insufficient aerobic capacity of mitochondria at low temperatures. Aerobic scope falls at temperatures beyond the thermal optimum and vanishes at low or high critical temperatures when transition to an anaerobic mitochondrial metabolism occurs. The adjustment of mitochondrial densities on top of parallel molecular or membrane adjustments appears crucial for maintaining aerobic scope and for shifting thermal tolerance. In conclusion, the capacity of oxygen delivery matches full aerobic scope only within the thermal optimum. At temperatures outside this range, only time-limited survival is supported by residual aerobic scope, then anaerobic metabolism and finally molecular protection by heat shock proteins and antioxidative defence. In a cause and effect hierarchy, the progressive increase in oxygen limitation at extreme temperatures may even enhance oxidative and denaturation stress. As a corollary, capacity limitations at a complex level of organisation, the oxygen delivery system, define thermal tolerance limits before molecular functions become disturbed.

Tuning of thermally induced sol-to-gel transitions of moderately concentrated aqueous solutions of doubly thermosensitive hydrophilic diblock copolymers poly(methoxytri(ethylene glycol) acrylate)-b-poly(ethoxydi(ethylene glycol) acrylate-co-acrylic acid).

PubMed

Jin, Naixiong; Zhang, Hao; Jin, Shi; Dadmun, Mark D; Zhao, Bin

2012-03-15

We report in this article a method to tune the sol-to-gel transitions of moderately concentrated aqueous solutions of doubly thermosensitive hydrophilic diblock copolymers that consist of two blocks exhibiting distinct lower critical solution temperatures (LCSTs) in water. A small amount of weak acid groups is statistically incorporated into the lower LCST block so that its LCST can be tuned by varying solution pH. Well-defined diblock copolymers, poly(methoxytri(ethylene glycol) acrylate)-b-poly(ethoxydi(ethylene glycol) acrylate-co-acrylic acid) (PTEGMA-b-P(DEGEA-co-AA)), were prepared by reversible addition-fragmentation chain transfer polymerization and postpolymerization modification. PTEGMA and PDEGEA are thermosensitive water-soluble polymers with LCSTs of 58 and 9 °C, respectively, in water. A 25 wt % aqueous solution of PTEGMA-b-P(DEGEA-co-AA) with a molar ratio of DEGEA to AA units of 100:5.2 at pH = 3.24 underwent multiple phase transitions upon heating, from a clear, free-flowing liquid (<15 °C) to a clear, free-standing gel (15-46 °C) to a clear, free-flowing hot liquid (47-56 °C), and a cloudy mixture (≥57 °C). With the increase of pH, the sol-to-gel transition temperature (T(sol-gel)) shifted to higher values, while the gel-to-sol transition (T(gel-sol)) and the clouding temperature (T(clouding)) of the sample remained essentially the same. These transitions and the tunability of T(sol-gel) originated from the thermosensitive properties of two blocks of the diblock copolymer and the pH dependence of the LCST of P(DEGEA-co-AA), which were confirmed by dynamic light scattering and differential scanning calorimetry studies. Using the vial inversion test method, we mapped out the C-shaped sol-gel phase diagrams of the diblock copolymer in aqueous buffers in the moderate concentration range at three different pH values (3.24, 5.58, and 5.82, all measured at ~0 °C). While the upper temperature boundaries overlapped, the lower temperature boundary shifted upward and the critical gelation concentration increased with the increase of pH. The AA content in PTEGMA-b-P(DEGEA-co-AA) was found to have a significant effect on the pH dependence of T(sol-gel). For PTEGMA-b-P(DEGEA-co-AA) with a molar ratio of DEGEA to AA units of 100:10, the T(sol-gel) of its 25 wt % aqueous solution increased faster with the increase of pH than that of PTEGMA-b-P(DEGEA-co-AA) with a DEGEA-to-AA molar ratio of 100:5.2. © 2012 American Chemical Society

Thermodynamics and Dynamics of Bose condensation in a quasi-homogeneous gas

NASA Astrophysics Data System (ADS)

Navon, Nir; Schmidutz, Tobias; Gotlibovych, Igor; Gaunt, Alexander; Robert-de-Saint-Vincent, Martin; Smith, Robert; Hadzibabic, Zoran

2014-05-01

We present an experimental study of the thermodynamics and dynamics of Bose-Einstein condensation (BEC) in an optical-box trap. We first characterize the critical point for BEC, and observe saturation of the thermal component in a partially condensed cloud, in agreement with Einstein's textbook picture of a purely statistical phase transition. We also observed the quantum Joule-Thomson effect, namely isoenthalpic cooling of a non-interacting gas. We then investigate the dynamics of Bose condensation in the box potential following a rapid temperature quench through the phase transition, and focus on the time-evolution of the condensed fraction, the coherence length and the mean-field shift, that we probe via Bragg spectroscopy.

Single crystal growth and structural evolution across the 1st order valence transition in (Pr1-yYy)1-xCaxCoO3-δ

NASA Astrophysics Data System (ADS)

Schreiber, N. J.; Zhang, Junjie; Zheng, Hong; Freeland, J. W.; Chen, Yu-Sheng; Mitchell, J. F.; Phelan, D.

2017-10-01

Praseodymium-containing cobalt perovskites, such as (Pr1-yYy)1-xCaxCoO3-δ, have been argued to undergo a first-order charge shift between Pr and hybridized Co-O orbitals that leads to a metal-insulator transition at a temperature, TVT. Magnetization and x-ray absorption spectroscopy measurements on single crystals of (Pr0.85Y0.15)0.7Ca0.3CoO3-δ grown in an IR image furnace under 40-60 bar of oxygen confirm the presence of this valence transition. Single crystal x-ray synchrotron diffraction measurements are consistent with an isomorphic phase transition at TVT. No evidence of charge ordering was revealed by the single crystal diffraction. Dissimilar to analytical transmission electron microscopy measurements performed on a grain from a polycrystalline sample that revealed an oxygen vacancy order-disorder transition at TVT, the present single-crystal measurements did not evidence such a transition, likely reflecting a lower density of oxygen vacancies in the high-pO2 grown single crystals.

Using Dielectric Relaxation Spectroscopy to Characterize the Glass Transition Time of Polydextrose.

PubMed

Buehler, Martin G; Kindle, Michael L; Carter, Brady P

2015-06-01

Dielectric relaxation spectroscopy was used to characterize the glass transition time, tg , of polydextrose, where the glass transition temperature, Tg , and water activity, aw (relative humidity), were held constant during polydextrose relaxation. The tg was determined from a shift in the peak frequency of the imaginary capacitance spectrum with time. It was found that when the peak frequency reaches 30 mHz, polydextrose undergoes glass transition. Glass transition time, tg , is the time for polydextrose to undergo glass transition at a specific Tg and aw . Results lead to a modified state diagram, where Tg is depressed with increasing aw . This curve forms a boundary: (a) below the boundary, polydextrose does not undergo glass transition and (b) above the boundary, polydextrose rapidly undergoes glass transition. As the boundary curve is specified by a tg value, it can assist in the selection of storage conditions. An important point on the boundary curve is at aw = 0, where Tg0 = 115 °C. The methodology can also be used to calculate the stress-relaxation viscosity of polydextrose as a function of Tg and aw , which is important when characterizing the flow properties of polydextrose initially in powder form. © 2015 Institute of Food Technologists®

Diagnosing the plasma nonuniformity in an iron opacity experiment by spatially resolved Al 1s-2p absorption spectroscopy

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

Zhang Xiaoding; Research Center of Laser Fusion, P. O. Box 919-986, Mianyang 621900; Zhang Jiyan

Generating a well-characterized hot-dense sample is of great importance to high quality opacity measurements. In this paper, we report on an experimental investigation of the plasma nonuniformity in a radiatively heated iron opacity sample by spatially resolved Al 1s-2p absorption spectroscopy. The iron sample was tamped by plastic at both sides and was heated by thermal x-ray radiation generated in a gold Hohlraum, and an Al layer attached to it was used as a tracer for temperature diagnosis. Spatially resolved 1s-2p transition absorption spectra of the Al tracer were measured by the technique of point-projection-spectroscopy, and temperatures in the samplemore » were obtained by comparing the measured spectra with detailed-term-accounting model calculations, with the density of the sample deduced using a combination of side-on radiography and radiative hydrodynamic simulation. The results showed the existence of axial temperature nonuniformity in the sample, and these temperature variations have been used to explain the shift of iron 2p-3d transition absorption feature along the axial direction of the Hohlraum used to heat the sample successfully.« less

Frequency tunable near-infrared metamaterials based on VO2 phase transition.

PubMed

Dicken, Matthew J; Aydin, Koray; Pryce, Imogen M; Sweatlock, Luke A; Boyd, Elizabeth M; Walavalkar, Sameer; Ma, James; Atwater, Harry A

2009-09-28

Engineering metamaterials with tunable resonances from mid-infrared to near-infrared wavelengths could have far-reaching consequences for chip based optical devices, active filters, modulators, and sensors. Utilizing the metal-insulator phase transition in vanadium oxide (VO(2)), we demonstrate frequency-tunable metamaterials in the near-IR range, from 1.5 - 5 microns. Arrays of Ag split ring resonators (SRRs) are patterned with e-beam lithography onto planar VO(2) and etched via reactive ion etching to yield Ag/VO(2) hybrid SRRs. FTIR reflection data and FDTD simulation results show the resonant peak position red shifts upon heating above the phase transition temperature. We also show that, by including coupling elements in the design of these hybrid Ag/VO(2) bi-layer structures, we can achieve resonant peak position tuning of up to 110 nm.

Buckling of stiff polymers: Influence of thermal fluctuations

NASA Astrophysics Data System (ADS)

Emanuel, Marc; Mohrbach, Hervé; Sayar, Mehmet; Schiessel, Helmut; Kulić, Igor M.

2007-12-01

The buckling of biopolymers is a frequently studied phenomenon The influence of thermal fluctuations on the buckling transition is, however, often ignored and not completely understood. A quantitative theory of the buckling of a wormlike chain based on a semiclassical approximation of the partition function is presented. The contribution of thermal fluctuations to the force-extension relation that allows one to go beyond the classical Euler buckling is derived in the linear and nonlinear regimes as well. It is shown that the thermal fluctuations in the nonlinear buckling regime increase the end-to-end distance of the semiflexible rod if it is confined to two dimensions as opposed to the three-dimensional case. The transition to a buckled state softens at finite temperature. We derive the scaling behavior of the transition shift with increasing ratio of contour length versus persistence length.

Dynamical manifestation of an evolving Berry phase as a frequency shift of the resonance transition between two eigenstates

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

Toriyama, Koichi; Oguchi, Akihide; Morinaga, Atsuo

2011-12-15

We investigate the phenomenon that a Berry phase evolving linearly in time induces a frequency shift of the resonance transition between two eigenstates, regardless of whether or not they are superposed. Using the magnetic-field-insensitive two-photon microwave--radio-frequency transition, which is free of any other dynamical frequency shift, we demonstrate that the frequency shift caused by a uniform rotation of the magnetic field corresponds to the derivative of the Berry phase with respect to time and depends on the direction of rotation of the magnetic field.

NMR based solvent exchange experiments to understand the conformational preference of intrinsically disordered proteins using FG-nucleoporin peptide as a model

PubMed Central

Heisel, Kurt A.; Krishnan, V. V.

2014-01-01

The conformational preference of a peptide with three phenylalanine-glycine (FG) repeats from the intrinsically disordered domain of nucleoporin 159 (nup159) from the yeast nucleopore complex (NPC) is studied. Conformational states of this FG-peptide in dimethyl sulfoxide (DMSO), a non-native solvent are first studied. A solvent exchange scheme is designed and performed to understand how the conformational preferences of the peptide are altered as the solvent shifts from DMSO to water. An ensemble of structures of a 19-residue peptide is determined based on 13Cα, 1Hα, and 1HN chemical shifts and with inter-proton distances. An experimental model is then presented where chemical shifts and amide-proton temperature dependence is probed at changing DMSO to water ratios. These co-solvent experiments provide evidence of a conformational change as the fraction of water increases by the stark change in the behavior of amide protons under varied temperature. This investigation provides a NMR based experimental method in the field of intrinsically disordered proteins to realize conformational transitions from a non-native set of structures (in DMSO) to a native set of disordered conformers (in water). PMID:24037535

Reliability of the one-crossing approximation in describing the Mott transition

NASA Astrophysics Data System (ADS)

Vildosola, V.; Pourovskii, L. V.; Manuel, L. O.; Roura-Bas, P.

2015-12-01

We assess the reliability of the one-crossing approximation (OCA) approach in a quantitative description of the Mott transition in the framework of the dynamical mean field theory (DMFT). The OCA approach has been applied in conjunction with DMFT to a number of heavy-fermion, actinide, transition metal compounds and nanoscale systems. However, several recent studies in the framework of impurity models pointed out serious deficiencies of OCA and raised questions regarding its reliability. Here we consider a single band Hubbard model on the Bethe lattice at finite temperatures and compare the results of OCA to those of a numerically exact quantum Monte Carlo (QMC) method. The temperature-local repulsion U phase diagram for the particle-hole symmetric case obtained by OCA is in good agreement with that of QMC, with the metal-insulator transition captured very well. We find, however, that the insulator to metal transition is shifted to higher values of U and, simultaneously, correlations in the metallic phase are significantly overestimated. This counter-intuitive behaviour is due to simultaneous underestimations of the Kondo scale in the metallic phase and the size of the insulating gap. We trace the underestimation of the insulating gap to that of the second moment of the high-frequency expansion of the impurity spectral density. Calculations of the system away from the particle-hole symmetric case are also presented and discussed.

Progress in understanding the enhanced pedestal H-mode in NSTX

DOE PAGES

Gerhardt, S. P.; Canik, J. M.; Maingi, R.; ...

2014-08-01

The paper describes the enhanced pedestal (EP) H-mode observed in the National Spherical Torus Experiment (NSTX). The defining characteristics of EP H-mode are given, namely i)transition after the L- to H-mode transition, ii) region of very steep ion temperature gradient, and iii) associated region of strong rotational shear. A newly observed long-pulse EP H-mode example shows quiescent behavior for as long as the heating and current drive sources are maintained. Cases are shown where the region of steep ion temperature gradient is located at the very edge, and cases where it is shifted up to 10 cm inward from themore » plasma edge; these cases are united by a common dependence of the ion temperature gradient on the toroidal rotation frequency shear. EP H-mode examples have been observed across a wide range of q95 and pedestal collisionality. No strong changes in the fluctuation amplitudes have been observed following the eP H-mode transition, and transport analysis indicates that the ion t hermal transport is comparable to or less than anticipated from a simple neoclassical transport model. Cases are shown where EP H-modes were reliably generated, through these low-q95 examples were difficult to sustain. A case where an externally triggered ELM precipitates the transition to EP H-mode is also shown, though an initial experiment designed to trigger EP-H-modes in this fashion was successful.« less

Thermogravimetric analysis and kinetic modeling of low-transition-temperature mixtures pretreated oil palm empty fruit bunch for possible maximum yield of pyrolysis oil.

PubMed

Yiin, Chung Loong; Yusup, Suzana; Quitain, Armando T; Uemura, Yoshimitsu; Sasaki, Mitsuru; Kida, Tetsuya

2018-05-01

The impacts of low-transition-temperature mixtures (LTTMs) pretreatment on thermal decomposition and kinetics of empty fruit bunch (EFB) were investigated by thermogravimetric analysis. EFB was pretreated with the LTTMs under different duration of pretreatment which enabled various degrees of alteration to their structure. The TG-DTG curves showed that LTTMs pretreatment on EFB shifted the temperature and rate of decomposition to higher values. The EFB pretreated with sucrose and choline chloride-based LTTMs had attained the highest mass loss of volatile matter (78.69% and 75.71%) after 18 h of pretreatment. For monosodium glutamate-based LTTMs, the 24 h pretreated EFB had achieved the maximum mass loss (76.1%). Based on the Coats-Redfern integral method, the LTTMs pretreatment led to an increase in activation energy of the thermal decomposition of EFB from 80.00 to 82.82-94.80 kJ/mol. The activation energy was mainly affected by the demineralization and alteration in cellulose crystallinity after LTTMs pretreatment. Copyright © 2018 Elsevier Ltd. All rights reserved.

Effect of dead layer and strain on diffuse phase transition of PLZT relaxor thin films.

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

Tong, S.; Narayanan, M.; Ma, B.

2011-02-01

Bulk relaxor ferroelectrics exhibit excellent permittivity compared to their thin film counterpart, although both show diffuse phase transition (DPT) behavior unlike normal ferroelectrics. To better understand the effect of dead layer and strain on the observed anomaly in the dielectric properties, we have developed relaxor PLZT (lead lanthanum zirconate titanate) thin films with different thicknesses and measured their dielectric properties as a function of temperature and frequency. The effect of dead layer on thin film permittivity has been found to be independent of temperature and frequency, and is governed by the Schottky barrier between the platinum electrode and PLZT. Themore » total strain (thermal and intrinsic) in the film majorly determines the broadening, dielectric peak and temperature shift in the relaxor ferroelectric. The Curie-Weiss type law for relaxors has been further modified to incorporate these two effects to accurately predict the DPT behavior of thin film and bulk relaxor ferroelectrics. The dielectric behavior of thin film is predicted by using the bulk dielectric data from literature in the proposed equation, which agree well with the measured dielectric behavior.« less

Electronic structures and abnormal phonon behaviors of cobalt-modified Na0.5Bi0.5TiO3-6%BaTiO3 single crystals

NASA Astrophysics Data System (ADS)

Huang, T.; Zhang, P.; Xu, L. P.; Chen, C.; Zhang, J. Z.; Hu, Z. G.; Luo, H. S.; Chu, J. H.

2016-10-01

Optical properties, electronic structures, and structural variations of x wt% cobalt (Co) doped Na0.5Bi0.5TiO3-6%BaTiO3 (x=0%, 0.5%, 0.8%) single crystals have been studied by temperature-dependent optical ellipsometry and Raman spectra from 250 to 650 K. Based on the temperature evolution of electronic transitions (Ecp1 and Ecp2) and the phonon modes involving Ti-O vibrations, two critical temperature points exhibit an increasing trend with Co dopants, which are related to structural variations for ferroelectric to anti-ferroelectric, and anti-ferroelectric to paraelectric transition, respectively. Additionally, distinguishing abnormal phonon behaviors can be observed from Raman spectra for the crystal of x=0.5% and 0.8%, which show reverse frequency shift of the modes involving Ti-O vibration. It can be ascribed to different relative concentration of Co2+ and Co3+ in the crystals, which has been confirmed by X-ray Photoelectron Spectroscopy data.

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

Emin, David, E-mail: emin@unm.edu

Charge carriers that execute multi-phonon hopping generally interact strongly enough with phonons to form polarons. A polaron's sluggish motion is linked to slowly shifting atomic displacements that severely reduce the intrinsic width of its transport band. Here a means to estimate hopping polarons' bandwidths from Seebeck-coefficient measurements is described. The magnitudes of semiconductors' Seebeck coefficients are usually quite large (>k/|q| = 86 μV/K) near room temperature. However, in accord with the third law of thermodynamics, Seebeck coefficients must vanish at absolute zero. Here, the transition of the Seebeck coefficient of hopping polarons to its low-temperature regime is investigated. The temperature and sharpness ofmore » this transition depend on the concentration of carriers and on the width of their transport band. This feature provides a means of estimating the width of a polaron's transport band. Since the intrinsic broadening of polaron bands is very small, less than the characteristic phonon energy, the net widths of polaron transport bands in disordered semiconductors approach the energetic disorder experienced by their hopping carriers, their disorder energy.« less

Large polarization-dependent exciton optical Stark effect in lead iodide perovskites

PubMed Central

Yang, Ye; Yang, Mengjin; Zhu, Kai; Johnson, Justin C.; Berry, Joseph J.; van de Lagemaat, Jao; Beard, Matthew C.

2016-01-01

A strong interaction of a semiconductor with a below-bandgap laser pulse causes a blue-shift of the bandgap transition energy, known as the optical Stark effect. The energy shift persists only during the pulse duration with an instantaneous response time. The optical Stark effect has practical relevance for applications, including quantum information processing and communication, and passively mode-locked femtosecond lasers. Here we demonstrate that solution-processable lead-halide perovskites exhibit a large optical Stark effect that is easily resolved at room temperature resulting from the sharp excitonic feature near the bandedge. We also demonstrate that a polarized pump pulse selectively shifts one spin state producing a spin splitting of the degenerate excitonic states. Such selective spin manipulation is an important prerequisite for spintronic applications. Our result implies that such hybrid semiconductors may have great potential for optoelectronic applications beyond photovoltaics. PMID:27577007

Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band

NASA Astrophysics Data System (ADS)

Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Deichuli, V. M.; Starikov, V. I.

2018-05-01

The water vapour line broadening and shifting for 97 lines in the ν1 + ν2 + ν3 band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm-1 and in a wide pressure range of H2. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν2, ν1, and ν3 vibrational bands are presented.

Large polarization-dependent exciton optical Stark effect in lead iodide perovskites

DOE PAGES

Yang, Ye; Yang, Mengjin; Zhu, Kai; ...

2016-08-31

A strong interaction of a semiconductor with a below-bandgap laser pulse causes a blue-shift of the bandgap transition energy, known as the optical Stark effect. The energy shift persists only during the pulse duration with an instantaneous response time. The optical Stark effect has practical relevance for applications, including quantum information processing and communication, and passively mode-locked femtosecond lasers. Here we demonstrate that solution-processable lead-halide perovskites exhibit a large optical Stark effect that is easily resolved at room temperature resulting from the sharp excitonic feature near the bandedge. We also demonstrate that a polarized pump pulse selectively shifts one spinmore » state producing a spin splitting of the degenerate excitonic states. Such selective spin manipulation is an important prerequisite for spintronic applications. Lastly, our result implies that such hybrid semiconductors may have great potential for optoelectronic applications beyond photovoltaics.« less

Preparation, characterization, dielectric properties and diffusion studies of styrene butadiene rubber (SBR)/manganous tungstate (MnWO4) nanocomposites

NASA Astrophysics Data System (ADS)

Jasna, V. C.; Ramesan, M. T.

2017-06-01

Nanocomposites based on SBR with different content of manganous tungstate nanoparticles were prepared and characterized by FTIR, UV-visible spectroscopy, XRD, SEM, TGA, DSC and impedance analysis. The interaction between nanoparticles and the elastomer was clear from the shift in peaks of UV and FTIR. XRD and SEM analysis showed the uniform arrangement of nanoparticles in SBR matrix. Glass transition temperature, thermal stability and dielectric properties of composites were enhanced by the addition of nanoparticles. Sorption studies of nanocomposites were done in aromatic solvents at different temperature. Sorption data obtained were used to estimate the thermodynamic properties.

Effect of solute nature on the polyamorphic transition in glassy polyol aqueous solutions.

PubMed

Suzuki, Yoshiharu

2017-08-14

I examined the polyamorphic behavior of glassy dilute aqueous solutions of polyols (ethylene glycol, glycerol, meso-erythritol, xylitol, and D-sorbitol) under pressure at low temperatures. Although the volume change of the glassy aqueous solution varied continuously against pressure, the rate of the volume change appeared to vary discontinuously at the onset pressure of the gradual polyamorphic transition. It is thought that low-density liquid-like solvent water and high-density liquid-like solvent water coexist during the transition. Moreover, the existence of a solute induces the shift of polyamorphic transition to the lower-pressure side. The effect of a solute on the polyamorphic transition becomes larger in the order ethylene glycol, glycerol, meso-erythritol, xylitol, and D-sorbitol. Therefore, the solute can become a variable controlling the polyamorphic state of liquid water. This experimental result suggests that the metastable-equilibrium phase boundary between the low-density and the high-density amorphs for pure water is likely to be located at 0.22-0.23 GPa at about 150 K, which is slightly larger than the previously estimated pressure. Moreover, the solute-nature dependence on the polyamorphic transition seems to connect to that on the homogeneous nucleation temperature of polyol aqueous solution at ambient pressure. The region in which a low-density liquid appears coincides with the region in which the nucleus of ice Ih appears, suggesting that the formation of a low-density liquid is a precursory phenomenon of the nucleation of ice Ih.

Effect of solute nature on the polyamorphic transition in glassy polyol aqueous solutions

NASA Astrophysics Data System (ADS)

Suzuki, Yoshiharu

2017-08-01

I examined the polyamorphic behavior of glassy dilute aqueous solutions of polyols (ethylene glycol, glycerol, meso-erythritol, xylitol, and D-sorbitol) under pressure at low temperatures. Although the volume change of the glassy aqueous solution varied continuously against pressure, the rate of the volume change appeared to vary discontinuously at the onset pressure of the gradual polyamorphic transition. It is thought that low-density liquid-like solvent water and high-density liquid-like solvent water coexist during the transition. Moreover, the existence of a solute induces the shift of polyamorphic transition to the lower-pressure side. The effect of a solute on the polyamorphic transition becomes larger in the order ethylene glycol, glycerol, meso-erythritol, xylitol, and D-sorbitol. Therefore, the solute can become a variable controlling the polyamorphic state of liquid water. This experimental result suggests that the metastable-equilibrium phase boundary between the low-density and the high-density amorphs for pure water is likely to be located at 0.22-0.23 GPa at about 150 K, which is slightly larger than the previously estimated pressure. Moreover, the solute-nature dependence on the polyamorphic transition seems to connect to that on the homogeneous nucleation temperature of polyol aqueous solution at ambient pressure. The region in which a low-density liquid appears coincides with the region in which the nucleus of ice Ih appears, suggesting that the formation of a low-density liquid is a precursory phenomenon of the nucleation of ice Ih.

Typicality Shift in Semantic Categories as a Result of Cultural Transition: Evidence from Jewish Argentine Immigrants in Israel.

ERIC Educational Resources Information Center

Shimron, Joseph; Chernitsky, Roberto

1995-01-01

Investigates changes in the internal structure of semantic categories as a result of cultural transition. Examines typicality shifts in semantic categories of Jewish Argentine immigrants in Israel. Presents a model mapping typicality shift patterns onto acculturation patterns. (HB)

Constitutive relations of ferroelectric ceramics

NASA Astrophysics Data System (ADS)

Su, Yu

The objective of this thesis is to obtain a better understanding on the fundamental constitutive behavior of ferroelectric ceramics based on the physics of phase transition, micromechanics of heterogeneous materials, and principles of irreversible thermodynamics. Within this framework, a self-consistent model is developed to investigate the electromechanical responses of ferroelectric polycrystals under temperature change and electromechanical loading. Cooling of a paraelectric crystal below its curie temperature Tc would result in spontaneous polarization, whereas electromechanical loading on a poled crystal could lead to domain switch. Domain growth and reorientation inside ferroelectric crystals are studied in light of these phase transition and domain switch. In this process, the change of the effective elastic, dielectric and piezoelectric constants during the evolution of microstructures are examined. In addition, hysteresis loops for the electric displacement and other related phenomena are computed under cyclic electric load. On top of all methods implemented in this work, the kinetic equation derived from the irreversible thermodynamics is the key to study the domain evolution in ferroelectric crystals. The kinetic relation not only governs the growth of new domain in a ferroelectric crystal, but it also determines the onset of phase transition. This characteristic is used to study the effect of hydrostatic pressure on the shift of Curie temperature of a ferroelectric crystal. Based on the derived expressions, it is observed that the deriving force can increase or decrease upon applied hydrostatic mechanical loading, depending on the change of electromechanical moduli, eigenstrain and electro-polarization. Several typical cases are computed and it is found that the change of the electromechanical moduli during phase transformation plays the key role in the shift of Curie temperature. Since ferroelectric ceramics are in a polycrystal form, a self-consistent model is used to examine the issues involved. In this model, each grain is represented by a spherical inclusion embedded in an infinitely extended piezoelectric matrix, and the inclusion further possesses an eigenstrain and eigen polarization. Secant relations between the polycrystal-matrix and the embedded inclusion are established by extending Hill's [1] incremental relations. An iterative computational program is developed for this self-consistent model.

Synthesis and photophysical properties of aluminium tris-(4-morpholine-8-hydroxyquinoline)

PubMed Central

Omar, Walaa A.E.

2012-01-01

Aluminium tris(4-morpholinyl-8-hydroxyquinoline) has been synthesized and characterized. The photoluminescence measurements showed that the new derivative is blue shifted and has relative photoluminescence quantum yield two times higher compared to the pristine Al tris(8-hydroxyquinoline). Deferential scanning colorimetric studies revealed that the newly synthesized Alq3 derivative in this work is amorphous material with the highest transition glass temperature value among the reported amorphous Alq3 derivatives. PMID:25685461

Temperature Dependent Rubidium Helium Line Shapes and Fine Structure Mixing Rates

DTIC Science & Technology

2015-09-01

that uses alkali metal vapor as a gain medium and a buffer gas to control the line shape and kinetics. While these systems were first demonstrated in...noble gas interactions with a high degree of accuracy. The physical parameters of interest here include pressure broadening (γ), pressure shift (δ...optical transitions between the two excited states. This collisional partner is a gas mixture that is pumped into the cell. The gases used range from

Temperature Dependent Rubidium-Helium Line Shapes and Fine Structure Mixing Rates

DTIC Science & Technology

2015-09-17

that uses alkali metal vapor as a gain medium and a buffer gas to control the line shape and kinetics. While these systems were first demonstrated in...noble gas interactions with a high degree of accuracy. The physical parameters of interest here include pressure broadening (γ), pressure shift (δ...optical transitions between the two excited states. This collisional partner is a gas mixture that is pumped into the cell. The gases used range from

The AdS/CFT Correspondence: Classical, Quantum, and Thermodynamical Aspects

NASA Astrophysics Data System (ADS)

Young, Donovan

2007-06-01

Certain aspects of the AdS/CFT correspondence are studied in detail. We investigate the one-loop mass shift to certain two-impurity string states in light-cone string field theory on a plane wave background. We find that there exist logarithmic divergences in the sums over intermediate mode numbers which cancel between the cubic Hamiltonian and quartic "contact term". We argue that generically, every order in intermediate state impurities contributes to the mass shift at leading perturbative order. The same mass shift is also computed using an improved 3-string vertex proposed by Dobashi and Yoneya. The result is found to agree with gauge theory at leading order and is close but not quite in agreement at subleading order. We extend the analysis to include discrete light-cone quantization, considering states with up to three units of p+. We study the (apparently) first-order phase transition in the weakly coupled plane-wave matrix model at finite temperature. We analyze the effect of interactions by computing the relevant parts of the effective potential for the Polyakov loop operator to three loop order. We show that the phase transition is indeed of first order. We also compute the 2-loop correction to the Hagedorn temperature. Finally, correlation functions of 1/4 BPS Wilson loops with the infinite family of 1/2 BPS chiral primary operators are computed in N=4 super Yang-Mills theory by summing planar ladder diagrams. The correlation functions are also computed in the strong-coupling limit using string theory; the result is found to agree with the extrapolation of the planar ladders. The result is related to similar correlators of 1/2 BPS loops by a simple re-scaling of the coupling constant, discovered by Drukker for the case of the 1/4 BPS loop VEV.

Atom probe tomography characterizations of high nickel, low copper surveillance RPV welds irradiated to high fluences

NASA Astrophysics Data System (ADS)

Miller, M. K.; Powers, K. A.; Nanstad, R. K.; Efsing, P.

2013-06-01

The Ringhals Units 3 and 4 reactors in Sweden are pressurized water reactors (PWRs) designed and supplied by Westinghouse Electric Company, with commercial operation in 1981 and 1983, respectively. The reactor pressure vessels (RPVs) for both reactors were fabricated with ring forgings of SA 508 class 2 steel. Surveillance blocks for both units were fabricated using the same weld wire heat, welding procedures, and base metals used for the RPVs. The primary interest in these weld metals is because they have very high nickel contents, with 1.58 and 1.66 wt.% for Unit 3 and Unit 4, respectively. The nickel content in Unit 4 is the highest reported nickel content for any Westinghouse PWR. Although both welds contain less than 0.10 wt.% copper, the weld metals have exhibited high irradiation-induced Charpy 41-J transition temperature shifts in surveillance testing. The Charpy impact 41-J shifts and corresponding fluences are 192 °C at 5.0 × 1023 n/m2 (>1 MeV) for Unit 3 and 162 °C at 6.0 × 1023 n/m2 (>1 MeV) for Unit 4. These relatively low-copper, high-nickel, radiation-sensitive welds relate to the issue of so-called late-blooming nickel-manganese-silicon phases. Atom probe tomography measurements have revealed ˜2 nm-diameter irradiation-induced precipitates containing manganese, nickel, and silicon, with phosphorus evident in some of the precipitates. However, only a relatively few number of copper atoms are contained within the precipitates. The larger increase in the transition temperature shift in the higher copper weld metal from the Ringhals R3 Unit is associated with copper-enriched regions within the manganese-nickel-silicon-enriched precipitates rather than changes in their size or number density.

Experimental Air-Broadened Line Parameters in the nu2 Band of CH3D

NASA Technical Reports Server (NTRS)

Cross, Adriana Predoi; Brawley-Tremblay, Shannon; Povey, Chad; Smith, Mary Ann H.

2007-01-01

In this study we report the first experimental measurements of air-broadening and air-induced pressure-shift coefficients for approximately 378 transitions in the nu2 fundamental band of CH3D. These results were obtained from analysis of 17 room temperature laboratory absorption spectra recorded at 0.0056 cm(exp -1) resolution using the McMath-Pierce Fourier transform spectrometer located on Kitt Peak, Arizona. Three absorption cells with path lengths of 10.2, 25 and 150 cm were used to record the spectra. The total sample pressures ranged from 0.129x10(exp -2) to 52.855x10(exp -2) atm with CH3D volume mixing ratios of approximately 0.0109 in air. The spectra were analyzed using a multispectrum non-linear least-squares fitting technique. We report measurements for air pressure-broadening coefficients for transitions with quantum numbers as high as J" = 20 and K = 15, where K" = K' equivalent to K (for a parallel band). The measured air broadening coefficients range from 0.0205 to 0.0835 cm(exp -1) atm(exp -1) at 296 K. All the measured pressure-shift coefficients are negative and are found to vary from about -0.0005 to -0.0080 cm(exp -1) atm(exp -1) at the temperature of the spectra. We have examined the dependence of the measured broadening and shift parameters on the J" and K quantum numbers and also developed empirical expressions to describe the broadening coefficients in terms of m (m = -J", J" and J" + 1 in the (sup Q)P- (sup Q)Q-, and (sup Q)R-branch, respectively) and K. On average, the empirical expressions reproduce the measured broadening coefficients to within 4.4%.

Large entropy change accompanying two successive magnetic phase transitions in TbMn{sub 2}Si{sub 2} for magnetic refrigeration

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

Li, Guoxing; Cheng, Zhenxiang, E-mail: jianli@uow.edu.au, E-mail: cheng@uow.edu.au; Fang, Chunsheng

Structural and magnetic properties in TbMn{sub 2}Si{sub 2} are studied by variable temperature X-ray diffraction, magnetization, electrical resistivity, and heat capacity measurements. TbMn{sub 2}Si{sub 2} undergoes two successive magnetic transitions at around T{sub c1} = 50 K and T{sub c2} = 64 K. T{sub c1} remains almost constant with increasing magnetic field, but T{sub c2} shifts significantly to higher temperature. Thus, there are two partially overlapping peaks in the temperature dependence of magnetic entropy change, i.e., −ΔS{sub M} (T). The different responses of T{sub c1} and T{sub c2} to external magnetic field, and the overlapping of −ΔS{sub M} (T) around T{sub c1} and T{sub c2} inducemore » a large refrigerant capacity (RC) within a large temperature range. The large reversible magnetocaloric effect (−ΔS{sub M}{sup peak} ∼ 16 J/kg K for a field change of 0–5 T) and RC (=396 J/kg) indicate that TbMn{sub 2}Si{sub 2} could be a promising candidate for low temperature magnetic refrigeration.« less

Physical aging effects on the compressive linear viscoelastic creep of IM7/K3B composite

NASA Technical Reports Server (NTRS)

Veazie, David R.; Gates, Thomas S.

1995-01-01

An experimental study was undertaken to establish the viscoelastic behavior of 1M7/K3B composite in compression at elevated temperature. Creep compliance, strain recovery and the effects of physical aging on the time dependent response was measured for uniaxial loading at several isothermal conditions below the glass transition temperature (T(g)). The IM7/K3B composite is a graphite reinforced thermoplastic polyimide with a T(g) of approximately 240 C. In a composite, the two matrix dominated compliance terms associated with time dependent behavior occur in the transverse and shear directions. Linear viscoelasticity was used to characterize the creep/recovery behavior and superposition techniques were used to establish the physical aging related material constants. Creep strain was converted to compliance and measured as a function of test time and aging time. Results included creep compliance master curves, physical aging shift factors and shift rates. The description of the unique experimental techniques required for compressive testing is also given.

Dopant effects on 2-ethyl-1-hexanol: A dual-channel impedance spectroscopy and neutron scattering study

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

Singh, Lokendra P.; Richert, Ranko, E-mail: ranko@asu.edu; Raihane, Ahmed

2015-01-07

A two-channel impedance technique has been used to study the relaxation behavior of 2-ethyl-1-hexanol with polar and non-polar dopants at the few percent concentration level over a wide temperature and frequency range. The non-polar dopants shift both the Debye and the primary structural relaxation time in the same direction, to shorter times for 3-methylpentane and to longer times for squalane, consistent with the relative glass transition temperatures (T{sub g}) of the components. By contrast, polar dopants such as water or methanol modify the α-process towards slower dynamics and increased amplitude, while the Debye process is accelerated and with a decreasedmore » amplitude. This effect of adding water to alcohol is explained by water promoting more compact structures with reduced Kirkwood correlation factors. This picture is consistent with a shift in the neutron scattering pre-peak to lower scattering vectors and with simulation work on alcohol-water systems.« less

Photoreflectance and photoluminescence spectroscopy of the lattice-matched InGaAs/InAlAs single quantum well

NASA Astrophysics Data System (ADS)

Wang, Y. C.; Tyan, S. L.; Juang, Y. D.

2002-07-01

A lattice-matched In0.53Ga0.47As/In0.52Al0.48As single quantum well (SQW) structure grown by gas source molecular beam epitaxy has been investigated by photoreflectance (PR) and photoluminescence (PL). The PR measurements allowed the observation of interband transitions from the heavy- and light-hole valence subbands to the conduction subbands. The transition energies measured from the PR spectra agree with those calculated theoretically. Two features corresponding to the ground state transition coming from the SQW and the band gap transition generated from the buffer layer are observed in the PL spectra and are in good agreement with the PR data. The effect of the temperature on the transition energies is essentially same as that in the gap transition of the bulk structure. The values of the Varshni coefficients of InGaAs/InAlAs were obtained from the relation between the exciton transition energy and the temperature. The built-in electric field could be determined and located from a series of PR spectra by sequential etching processes. The phase spectra obtained from the PR spectra by the Kramers-Kronig transformation were analyzed in terms of the two-ray model, and calculated the etching depth in each etching, and thus leading to the etching rate. The etching rate obtained from phase shift analysis agrees with that measured by atomic force microscopy. The etching results suggest that a built-in electric field exists at the buffer/substrate interface and it also enables us to determine the etching rate.

Charge carrier recombination channels in the low-temperature phase of organic-inorganic lead halide perovskite thin films

NASA Astrophysics Data System (ADS)

Wehrenfennig, Christian; Liu, Mingzhen; Snaith, Henry J.; Johnston, Michael B.; Herz, Laura M.

2014-08-01

The optoelectronic properties of the mixed hybrid lead halide perovskite CH3NH3PbI3-xClx have been subject to numerous recent studies related to its extraordinary capabilities as an absorber material in thin film solar cells. While the greatest part of the current research concentrates on the behavior of the perovskite at room temperature, the observed influence of phonon-coupling and excitonic effects on charge carrier dynamics suggests that low-temperature phenomena can give valuable additional insights into the underlying physics. Here, we present a temperature-dependent study of optical absorption and photoluminescence (PL) emission of vapor-deposited CH3NH3PbI3-xClx exploring the nature of recombination channels in the room- and the low-temperature phase of the material. On cooling, we identify an up-shift of the absorption onset by about 0.1 eV at about 100 K, which is likely to correspond to the known tetragonal-to-orthorhombic transition of the pure halide CH3NH3PbI3. With further decreasing temperature, a second PL emission peak emerges in addition to the peak from the room-temperature phase. The transition on heating is found to occur at about 140 K, i.e., revealing significant hysteresis in the system. While PL decay lifetimes are found to be independent of temperature above the transition, significantly accelerated recombination is observed in the low-temperature phase. Our data suggest that small inclusions of domains adopting the room-temperature phase are responsible for this behavior rather than a spontaneous increase in the intrinsic rate constants. These observations show that even sparse lower-energy sites can have a strong impact on material performance, acting as charge recombination centres that may detrimentally affect photovoltaic performance but that may also prove useful for optoelectronic applications such as lasing by enhancing population inversion.

High-resolution nuclear magnetic resonance of superfluid 3B

NASA Astrophysics Data System (ADS)

Kycia, J. B.; Haard, T. M.; Rand, M. R.; Hensley, H. H.; Moores, G. F.; Lee, Y.; Hamot, P. J.; Sprague, D. T.; Halperin, W. P.; Thuneberg, E. V.

1994-02-01

High-resolution nuclear magnetic resonance measurements of bulk superfluid 3B have been performed at temperatures above 0.5 mK and at pressures from 0.3 to 21.7 bars. We have found that the resonance frequency is shifted from the Larmor frequency of the normal fluid. According to the theory of Greaves the shift at the superfluid transition determines a specific combination, β345, of the 5 fourth-order coefficients of the order parameter invariants used in the Ginzburg-Landau description of superfluid 3He. We found that β345 approaches the weak coupling limit at low pressure, and decreases at higher pressures qualitatively consistent with the theory of Sauls and Serene but in disagreement with the results of Tang et al.

Crossover of Microscopic Dynamics in Metallic Supercooled Liquid Observed by NMR

NASA Astrophysics Data System (ADS)

Wu, Yue; Li, Lilong

2004-03-01

Nuclear magnetic resonance (NMR) is used to characterize local atomic motions in the glassy and supercooled liquid states of the bulk metallic glass system Pd_43Ni_10Cu_27P_20. It is shown that NMR is very effective in detecting local motions such as vibrations in metallic systems. The temperature dependence of the Knight shift reveals that certain local atomic motion decreases rapidly below a crossover temperature T_c. Above Tc as well as below the glass transition temperature Tg the mean-squared amplitude of local motions is shown to depend linearly on the temperature. The observed rapid decrease below Tc cannot be explained by heterogeneity effects. It reveals that qualitative changes of microscopic properties in the supercooled liquid take place at temperatures significantly above T_g. The observed phenomenon can be explained in terms of a rapid disappearance of certain local motions below Tc as suggested by the mode-coupling theory.

Temperature tuning of lasing emission from dye-doped liquid crystal at intermediate twisted phase

NASA Astrophysics Data System (ADS)

Liao, Kuan-Cheng; Lin, Ja-Hon; Jian, Li-Hao; Chen, Yao-Hui; Wu, Jin-Jei

2015-07-01

Temperature tuning of lasing emission from dye-doped cholesteric liquid crystal (CLC) at intermediate twisted phase has been demonstrated in this work. With heavily doping of 42.5% chiral molecules into the nematic liquid crystals, the shifts of photonic bandgap versus temperature is obviously as thermal controlling of the sample below the certain value. By the differential scanning calorimetr measuremet, we demonstrate the phase transition from the CLC to the smectic phase when the temperature is lowered to be about 15°C. Between CLC and smectic phase, the liquid crystal mixtures are operated at intermediate twisted phase that can be used the temperature related refractive mirror. After pump by the Q-switched Nd:YAG laser, the lasing emission from this dye doped LC mixtures has been demonstrated whose emission wavelength can be tuned from 566 to 637 nm with 1.4°C variation.

Electrical switching in Sb doped Al23Te77 glasses

NASA Astrophysics Data System (ADS)

Pumlianmunga; Ramesh, K.

2017-08-01

Bulk glasses (Al23Te77)Sbx (0≤ x≤10) prepared by melt quenching method show a change in switching type from threshold to memory for x≥5. An increase in threshold current (Ith) and a concomitant decrease in threshold voltage (Vth) and resisitivity(ρ) have been observed with the increase of Sb content. Raman spectra of the switched region in memory switching compositions show a red shift with respect to the as prepared glasses whereas in threshold switching compositions no such shift is observed. The magic angle spinning nuclear magnetic resonance (MAS NMR) of 27Al atom shows three different environments for Al ([4]Al, [5]Al and [6]Al). The samples annealed at their respective crystallization temperatures show rapid increase in [4]Al sites by annihilating [5]Al sites. The melts of threshold switching glasses (x≤2.5) quenched in water at room temperature (27 °C) show amorphous structure whereas, the melt of memory switching glasses (x>2.5) solidify into crystalline structure. The higher coordination of Al increases the cross-linking and rigidity. The addition of Sb increases the glass transition(Tg) and decreases the crystallization temperature(Tc). The decrease in the interval between the Tg and Tc eases the transition between the amorphous and crystalline states and improves the memory properties. The temperature rise at the time of switching can be as high as its melting temperature and the material in between the electrodes may melt to form a filament. The filament may consists of temporary (high resistive amorphous) and permanent (high conducting crystalline) units. The ratio between the temporary and the permanent units may decide the switching type. The filament is dominated by the permanent units in memory switching compositions and by the temporary units in threshold switching compositions. The present study suggests that both the threshold and memory switching can be understood by the thermal model and filament formation.

Evidence for Isostatic Emergence and Holocene Environmental Change Recorded in Chironomid Assemblages and Sediment Composition of Coastal Lake T1 in SW Greenland

NASA Astrophysics Data System (ADS)

Berman, K.; Axford, Y.; Lasher, G. E.

2017-12-01

Multi-proxy analysis of a coastal lake in southwest Greenland near Nuuk provides evidence for regional environmental changes, including the timing of isostatic rebound and the temperature history of the area. T1 (informal name) is a small lake 50 km south of Nuuk, at 17.5 m elevation and currently isolated from glacial meltwater drainage. The lake's sediment record begins approximately 9500 cal years BP, when the site was submerged beneath sea level due to glacial isostatic depression following the Last Glacial Maximum. The record captures the transition of the environment from a submerged, glacially-influenced marine site to a non-glacially fed (and initially meromictic) freshwater lake 8600 cal years BP. Magnetic susceptibility, a proxy for sediment minerogenic content, decreased rapidly from 9500 to 8600 years BP, before abruptly stabilizing and remaining relatively low and steady for the rest of the record. The transition to a lacustrine environment was characterized by a rapid and relatively simultaneous increase in primary productivity (inferred from biogenic silica concentrations) and shift towards terrestrial versus marine sources of organic matter (inferred from carbon:nitrogen ratios and nitrogen isotopes) between 8700 and 8400 years BP. Together, these proxies and the presence of marine shells below the transition provide robust evidence for the transition from a marine environment to a freshwater lake in response to regional postglacial isostatic rebound. Within the Holocene, measures of bulk sediment composition (e.g., biogenic silica, loss-on-ignition and magnetic susceptibility) are relatively stable. Chironomid (Insecta: Diptera: Chironomidae) assemblages, which in some environments are quantitative proxies for summer temperature changes, show species-level shifts within the Holocene that will be interpreted in this presentation alongside indicators of landscape change including carbon:nitrogen ratios, bulk sediment spectral reflectance and bulk sediment elemental composition from scanning XRF.

Characterizing Transitions Between Decadal States of the Tropical Pacific using State Space Reconstruction

NASA Astrophysics Data System (ADS)

Ramesh, N.; Cane, M. A.

2017-12-01

The complex coupled ocean-atmosphere system of the Tropical Pacific generates variability on timescales from intraseasonal to multidecadal. Pacific Decadal Variability (PDV) is among the key drivers of global climate, with effects on hydroclimate on several continents, marine ecosystems, and the rate of global mean surface temperature rise under anthropogenic greenhouse gas forcing. Predicting phase shifts in the PDV would therefore be highly useful. However, the small number of PDV phase shifts that have occurred in the observational record pose a substantial challenge to developing an understanding of the mechanisms that underlie decadal variability. In this study, we use a 100,000-year unforced simulation from an intermediate-complexity model of the Tropical Pacific region that has been shown to produce PDV comparable to that in the real world. We apply the Simplex Projection method to the NINO3 index from this model to reconstruct a shadow manifold that preserves the topology of the true attractor of this system. We find that the high- and low-variance phases of PDV emerge as a pair of regimes in a 3-dimensional state space, and that the transitions between decadal states lie in a highly predictable region of the attractor. We then use a random forest algorithm to develop a physical interpretation of the processes associated with these highly-predictable transitions. We find that transitions to low-variance states are most likely to occur approximately 2.5 years after an El Nino event, and that ocean-atmosphere variables in the southeastern Tropical Pacific play a crucial role in driving these transitions.

Investigation of the Photocurrent in Hot-Wall-Epitaxy-Grown BaIn2S4 Layers

NASA Astrophysics Data System (ADS)

You, S. H.; Hong, K. J.; Jeong, T. S.; Youn, C. J.

2015-12-01

The photocurrent (PC) of hot-wall-epitaxy-grown BaIn2S4 layers was studied at different temperatures and for different photoresponse intensities. With increasing temperature, the position of the PC spectra tended to shift toward longer wavelength. These PC peaks corresponded to band-to-band transitions caused by intrinsic transitions from the valence band states to the conduction band states. Also, the bandgap variations were well matched by the equation E g( T) = E g(0) - 3.79 × 10-3 T 2/( T + 499), where E g(0) was estimated to be 3.0597 eV, 3.2301 eV, and 3.2606 eV for transitions corresponding to the valence band states Γ 4(z), Γ 5(x), and Γ 5(y), respectively. By use of the selection rule and results from the PC spectroscopy, the crystal field and the spin-orbit splitting were found to be 0.1703 and 0.0306 eV, respectively. Thus, the PC intensity gradually decreased with decreasing temperature. The decrease of PC intensity was caused by the presence of trapping centers associated with native defects in the BaIn2S4 layers. The trap level was found to be a shallow donor-level type of 20.4 meV, 1.6 meV below the conduction band. Consequently, these trap levels, which are related to native defects in BaIn2S4 layers, are believed to limit PC intensity with decreasing temperature.

Tunneling in hydrogen-transfer isomerization of n-alkyl radicals.

PubMed

Sirjean, Baptiste; Dames, Enoch; Wang, Hai; Tsang, Wing

2012-01-12

The role of quantum tunneling in hydrogen shift in linear heptyl radicals is explored using multidimensional, small-curvature tunneling method for the transmission coefficients and a potential energy surface computed at the CBS-QB3 level of theory. Several one-dimensional approximations (Wigner, Skodje and Truhlar, and Eckart methods) were compared to the multidimensional results. The Eckart method was found to be sufficiently accurate in comparison to the small-curvature tunneling results for a wide range of temperature, but this agreement is in fact fortuitous and caused by error cancellations. High-pressure limit rate constants were calculated using the transition state theory with treatment of hindered rotations and Eckart transmission coefficients for all hydrogen-transfer isomerizations in n-pentyl to n-octyl radicals. Rate constants are found in good agreement with experimental kinetic data available for n-pentyl and n-hexyl radicals. In the case of n-heptyl and n-octyl, our calculated rates agree well with limited experimentally derived data. Several conclusions made in the experimental studies of Tsang et al. (Tsang, W.; McGivern, W. S.; Manion, J. A. Proc. Combust. Inst. 2009, 32, 131-138) are confirmed theoretically: older low-temperature experimental data, characterized by small pre-exponential factors and activation energies, can be reconciled with high-temperature data by taking into account tunneling; at low temperatures, transmission coefficients are substantially larger for H-atom transfers through a five-membered ring transition state than those with six-membered rings; channels with transition ring structures involving greater than 8 atoms can be neglected because of entropic effects that inhibit such transitions. The set of computational kinetic rates were used to derive a general rate rule that explicitly accounts for tunneling. The rate rule is shown to reproduce closely the theoretical rate constants.

Phase coexistence and high electrical properties in (KxNa0.96-xLi0.04)(Nb0.85Ta0.15)O3 piezoelectric ceramics

NASA Astrophysics Data System (ADS)

Chang, Yunfei; Yang, Zupei; Ma, Difei; Liu, Zonghuai; Wang, Zenglin

2009-03-01

(KxNa0.96-xLi0.04)(Nb0.85Ta0.15)O3 lead-free piezoelectric ceramics were produced by conventional solid-state reaction method. The effects of K/Na ratio on the phase transitional behavior, Raman spectrum, microstructure, and dielectric, piezoelectric, and ferroelectric properties of the ceramics have been investigated. The phase structure of the ceramics undergoes a transition from orthorhombic to tetragonal phase with increasing x. A double-degenerate symmetric O-Nb-O stretching vibration v1 and a triply degenerate symmetric O-Nb-O bending vibration v5 are detected as relatively strong scattering in the Raman spectra. The peak shifts of v5 and v1 modes all have a discontinuity with x between 0.42 and 0.46, which may suggest the coexistence of orthorhombic and tetragonal phases in this range. Properly modifying x reduces the sintering temperature, promotes the grain growth behavior, and improves the density of the ceramics. The polymorphic phase transition (at To -t) is shifted to near room temperature by increasing x to 0.44 (K/Na ratio of about 0.85:1), and the coexistence of orthorhombic and tetragonal phases in the ceramics at x =0.44 results in the optimized electrical properties (d33=291 pC/N, kp=0.54, ɛr=1167, tan δ=0.018, To -t=35 °C, TC=351 °C, Pr=27.65 μC/cm2, and Ec=8.63 kV/cm). The results show that the equal K/Na ratio is not an essential condition in obtaining optimized electrical properties in (KxNa0.96-xLi0.04)(Nb0.85Ta0.15)O3 ceramics.

Conditional heteroscedasticity as a leading indicator of ecological regime shifts.

PubMed

Seekell, David A; Carpenter, Stephen R; Pace, Michael L

2011-10-01

Regime shifts are massive, often irreversible, rearrangements of nonlinear ecological processes that occur when systems pass critical transition points. Ecological regime shifts sometimes have severe consequences for human well-being, including eutrophication in lakes, desertification, and species extinctions. Theoretical and laboratory evidence suggests that statistical anomalies may be detectable leading indicators of regime shifts in ecological time series, making it possible to foresee and potentially avert incipient regime shifts. Conditional heteroscedasticity is persistent variance characteristic of time series with clustered volatility. Here, we analyze conditional heteroscedasticity as a potential leading indicator of regime shifts in ecological time series. We evaluate conditional heteroscedasticity by using ecological models with and without four types of critical transition. On approaching transition points, all time series contain significant conditional heteroscedasticity. This signal is detected hundreds of time steps in advance of the regime shift. Time series without regime shifts do not have significant conditional heteroscedasticity. Because probability values are easily associated with tests for conditional heteroscedasticity, detection of false positives in time series without regime shifts is minimized. This property reduces the need for a reference system to compare with the perturbed system.

A systematic approach to determining the properties of an iodine absorption cell for high-precision radial velocity measurements

NASA Astrophysics Data System (ADS)

Perdelwitz, V.; Huke, P.

2018-06-01

Absorption cells filled with diatomic iodine are frequently employed as wavelength reference for high-precision stellar radial velocity determination due their long-term stability and low cost. Despite their wide-spread usage in the community, there is little documentation on how to determine the ideal operating temperature of an individual cell. We have developed a new approach to measuring the effective molecular temperature inside a gas absorption cell and searching for effects detrimental to a high precision wavelength reference, utilizing the Boltzmann distribution of relative line depths within absorption bands of single vibrational transitions. With a high resolution Fourier transform spectrometer, we took a series of 632 spectra at temperatures between 23 °C and 66 °C. These spectra provide a sufficient basis to test the algorithm and demonstrate the stability and repeatability of the temperature determination via molecular lines on a single iodine absorption cell. The achievable radial velocity precision σRV is found to be independent of the cell temperature and a detailed analysis shows a wavelength dependency, which originates in the resolving power of the spectrometer in use and the signal-to-noise ratio. Two effects were found to cause apparent absolute shifts in radial velocity, a temperature-induced shift of the order of ˜1 ms-1K-1 and a more significant effect resulting in abrupt jumps of ≥50 ms-1 is determined to be caused by the temperature crossing the dew point of the molecular iodine.

Tunable 0-π transition by interband coupling in iron-based superconductor Josephson junctions

NASA Astrophysics Data System (ADS)

Tao, Y. C.; Liu, S. Y.; Bu, N.; Wang, J.; Di, Y. S.

2016-01-01

An extended four-component Bogoliubov-de Gennes equation is applied to study the Josephson effect in ballistic limit between either two iron-based superconductors (SCs) or an iron-based SC and a conventional s-wave SC, separated by a normal metal. A 0-π transition as a function of interband coupling strength α is always exhibited, arising from the tuning of mixing between the two trajectories with opposite phases. The novel property can be experimentally used to discriminate the {s}+/- -wave pairing symmetry in the iron-based SCs from the {s}++-wave one in MgB2. The effect of interface transparency on the 0-π transition is also presented. The 0-π transition as a function of α is wholly distinct from that as a function of barrier strength or temperature in recent theories (Linder et al 2009 Phys. Rev. B 80 020503(R)). The possible experimental probe of the phase-shift effect in iron-based SC Josephson junctions is commented on as well.

Quantum simulation of thermally-driven phase transition and oxygen K-edge x-ray absorption of high-pressure ice

PubMed Central

Kang, Dongdong; Dai, Jiayu; Sun, Huayang; Hou, Yong; Yuan, Jianmin

2013-01-01

The structure and phase transition of high-pressure ice are of long-standing interest and challenge, and there is still a huge gap between theoretical and experimental understanding. The quantum nature of protons such as delocalization, quantum tunneling and zero-point motion is crucial to the comprehension of the properties of high-pressure ice. Here we investigated the temperature-induced phase transition and oxygen K-edge x-ray absorption spectra of ice VII, VIII and X using ab initio path-integral molecular dynamics simulations. The tremendous difference between experiments and the previous theoretical predictions is closed for the phase diagram of ice below 300 K at pressures up to 110 GPa. Proton tunneling assists the proton-ordered ice VIII to transform into proton-disordered ice VII where only thermal activated proton-transfer cannot occur. The oxygen K edge with its shift is sensitive to the order-disorder transition, and therefore can be applied to diagnose the dynamics of ice structures. PMID:24253589

When teams shift among processes: insights from simulation and optimization.

PubMed

Kennedy, Deanna M; McComb, Sara A

2014-09-01

This article introduces process shifts to study the temporal interplay among transition and action processes espoused in the recurring phase model proposed by Marks, Mathieu, and Zacarro (2001). Process shifts are those points in time when teams complete a focal process and change to another process. By using team communication patterns to measure process shifts, this research explores (a) when teams shift among different transition processes and initiate action processes and (b) the potential of different interventions, such as communication directives, to manipulate process shift timing and order and, ultimately, team performance. Virtual experiments are employed to compare data from observed laboratory teams not receiving interventions, simulated teams receiving interventions, and optimal simulated teams generated using genetic algorithm procedures. Our results offer insights about the potential for different interventions to affect team performance. Moreover, certain interventions may promote discussions about key issues (e.g., tactical strategies) and facilitate shifting among transition processes in a manner that emulates optimal simulated teams' communication patterns. Thus, we contribute to theory regarding team processes in 2 important ways. First, we present process shifts as a way to explore the timing of when teams shift from transition to action processes. Second, we use virtual experimentation to identify those interventions with the greatest potential to affect performance by changing when teams shift among processes. Additionally, we employ computational methods including neural networks, simulation, and optimization, thereby demonstrating their applicability in conducting team research. PsycINFO Database Record (c) 2014 APA, all rights reserved.

Anomalous critical behavior in the polymer collapse transition of three-dimensional lattice trails.

PubMed

Bedini, Andrea; Owczarek, Aleksander L; Prellberg, Thomas

2012-07-01

Trails (bond-avoiding walks) provide an alternative lattice model of polymers to self-avoiding walks, and adding self-interaction at multiply visited sites gives a model of polymer collapse. Recently a two-dimensional model (triangular lattice) where doubly and triply visited sites are given different weights was shown to display a rich phase diagram with first- and second-order collapse separated by a multicritical point. A kinetic growth process of trails (KGTs) was conjectured to map precisely to this multicritical point. Two types of low-temperature phases, a globule phase and a maximally dense phase, were encountered. Here we investigate the collapse properties of a similar extended model of interacting lattice trails on the simple cubic lattice with separate weights for doubly and triply visited sites. Again we find first- and second-order collapse transitions dependent on the relative sizes of the doubly and triply visited energies. However, we find no evidence of a low-temperature maximally dense phase with only the globular phase in existence. Intriguingly, when the ratio of the energies is precisely that which separates the first-order from the second-order regions anomalous finite-size scaling appears. At the finite-size location of the rounded transition clear evidence exists for a first-order transition that persists in the thermodynamic limit. This location moves as the length increases, with its limit apparently at the point that maps to a KGT. However, if one fixes the temperature to sit at exactly this KGT point, then only a critical point can be deduced from the data. The resolution of this apparent contradiction lies in the breaking of crossover scaling and the difference in the shift and transition width (crossover) exponents.

Non-Destructive Inspection Approach Using Ultrasound to Identify the Material State for Amorphous and Semi-Crystalline Materials

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

Jost, Elliott; Jack, David; Moore, David G.

At present, there are many methods to identify the temperature and phase of a material using invasive techniques. However, most current methods require physical contact or implicit methods utilizing light reflectance of the specimen. In this paper, we present a nondestructive inspection method using ultrasonic wave technology that circumvents these disadvantages to identify phase change regions and infer the temperature state of a material. In the present study an experiment is performed to monitor the time of flight within a wax as it undergoes melting and the subsequent cooling. Results presented in this work show a clear relationship between amore » material’s speed of sound and its temperature. The phase change transition of the material is clear from the time of flight results, and in the case of the investigated material, this change in the material state occurs over a range of temperatures. The range of temperatures over which the wax material melts is readily identified by speed of sound represented as a function of material temperature. The melt temperature, obtained acoustically, is validated using Differential Scanning Calorimetry (DSC), which uses shifts in heat flow rates to identify phase transition temperature ranges. Lastly, the investigated ultrasonic NDE method has direct applications in many industries, including oil and gas, food and beverage, and polymer composites, in addition to many implications for future capabilities of nondestructive inspection of multi-phase materials.« less

Non-Destructive Inspection Approach Using Ultrasound to Identify the Material State for Amorphous and Semi-Crystalline Materials

DOE PAGES

Jost, Elliott; Jack, David; Moore, David G.

2018-04-01

At present, there are many methods to identify the temperature and phase of a material using invasive techniques. However, most current methods require physical contact or implicit methods utilizing light reflectance of the specimen. In this paper, we present a nondestructive inspection method using ultrasonic wave technology that circumvents these disadvantages to identify phase change regions and infer the temperature state of a material. In the present study an experiment is performed to monitor the time of flight within a wax as it undergoes melting and the subsequent cooling. Results presented in this work show a clear relationship between amore » material’s speed of sound and its temperature. The phase change transition of the material is clear from the time of flight results, and in the case of the investigated material, this change in the material state occurs over a range of temperatures. The range of temperatures over which the wax material melts is readily identified by speed of sound represented as a function of material temperature. The melt temperature, obtained acoustically, is validated using Differential Scanning Calorimetry (DSC), which uses shifts in heat flow rates to identify phase transition temperature ranges. Lastly, the investigated ultrasonic NDE method has direct applications in many industries, including oil and gas, food and beverage, and polymer composites, in addition to many implications for future capabilities of nondestructive inspection of multi-phase materials.« less

Temperature Dependences of Air-Broadening and Shift Parameters in the ν_3 Band of Ozone

NASA Astrophysics Data System (ADS)

Smith, Mary Ann H.; Devi, V. Malathy; Benner, D. Chris

2015-06-01

Line parameter errors can contribute significantly to the total errors in retrievals of terrestrial atmospheric ozone concentration profiles using the strong 9.6-μm band, particularly for nadir-viewing experiments Detailed knowledge of the interfering ozone signal is also needed for retrievals of other atmospheric species in this spectral region. We have determined Lorentz air-broadening and pressure-induced shift coefficients along with their temperature dependences for a number of transitions in the ν_3 fundamental band of 16O_3. These results were obtained by applying the multispectrum nonlinear least-squares fitting technique to a set of 31 high-resolution infrared absorption spectra of O_3 recorded at temperatures between 160 and 300 K with several different room-temperature and coolable sample cells at the McMath-Pierce Fourier transform spectrometer at the National Solar Observatory on Kitt Peak. We compare our results with other available measurements and with the ozone line parameters in the HITRAN database. J.~Worden et al., J.~Geophys.~Res. 109 (2004) 9308-9319. R.~Beer et al., Geophys.~Res.~Lett. 35 (2008) L09801. D.~Chris Benner et al., JQSRT 53 (1995) 705-721. Rothman et al., J. Quant. Spectrosc. Radiat. Transfer 130 (2013) 4. JQSRT 130 (2013) 4-50.

Temperature-dependent and anisotropic optical response of layered Pr0.5Ca1.5MnO4 probed by spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Majidi, M. A.; Thoeng, E.; Gogoi, P. K.; Wendt, F.; Wang, S. H.; Santoso, I.; Asmara, T. C.; Handayani, I. P.; van Loosdrecht, P. H. M.; Nugroho, A. A.; Rübhausen, M.; Rusydi, A.

2013-06-01

We study the temperature dependence as well as anisotropy of optical conductivity (σ1) in the pseudocubic single crystal Pr0.5Ca1.5MnO4 using spectrocopic ellipsometry. Three transition temperatures are observed and can be linked to charge-orbital (TCO/OO˜320 K), two-dimensional-antiferromagnetic (2D-AFM) (˜200 K), and three-dimensional AFM (TN˜125 K) orderings. Below TCO/OO, σ1 shows a charge-ordering peak (˜0.8 eV) with a significant blue shift as the temperature decreases. Calculations based on a model that incorporates a static Jahn-Teller distortion and assumes the existence of a local charge imbalance between two different sublattices support this assignment and explain the blue shift. This view is further supported by the partial spectral weight analysis showing the onset of optical anisotropy at TCO/OO in the charge-ordering region (0.5-2.5 eV). Interestingly, in the charge-transfer region (2.5-4 eV), the spectral weight shows anomalies around the T2D-AFM that we attribute to the role of oxygen-p orbitals in stabilizing the CE-type magnetic ordering. Our result shows the importance of spin, charge, orbital, and lattice degrees of freedom in this layered manganite.

Raman spectroscopic investigations of Hg-Cd-Te melts

NASA Technical Reports Server (NTRS)

Morrobel-Sosa, Anny

1987-01-01

Raman scattering measurements are reported for a series of Hg sub1-xCd subxTe (with x less than or =0.2) materials from 295 K (room temperature) to 1126K (up to and above their liquidus temperatures), and for Hg sub1-xCd subxTe (x=0.3) at 285K. The samples were contained in high-temperature optically-flat fused silica cell. Variable temperature measurements were effected in a three-zone, high-temperature furnace equipped with optical windows, and monitored externally by three independently programmable temperature controllers. All studies were made in the backscattering geometry using the 5145 A line of an Ar+ ion laser, with incident power less than 250 mW, as the excitiation source. An intensity enhancement is observed for a mode in each of the compositions studied. The frequency of this mode varies with composition, 142/cm for HgTe, and 128/cm for both the Hg sub1-xCd subxTe (x=0.053 and 0.204) samples. In addition, a shift to lower frequency as a function of temperature is observed in all samples. This shift is most prominent for the x=0.053 sample. The temperature dependence of these modes as the liquidus temperatures are achieved and surpassed for these samples is presented as being associated with a structural transition in the Hg-rich compositions of the Hg sub1-xCd subxTe series. To our knowledge, this is the first reported study of Raman scattering by phonons in the melts of these materials.

Bulk electronic structure of non-centrosymmetric EuTGe 3 (T=Co, Ni, Rh, Ir) studied by hard x-ray photoelectron spectroscopy

DOE PAGES

Utsumi, Yuki; Kasinathan, Deepa; Swatek, Przemys?aw; ...

2018-03-15

Non-centrosymmetric EuTGe 3 ( T = Co, Ni, Rh, and Ir) possesses magnetic Eu 2+ ions, and antiferromagnetic ordering appears at low temperatures. Transition-metal substitution leads to changes in the unit-cell volume and in the magnetic ordering. However, the magnetic ordering temperature does not scale with the volume change, and the Eu valence is expected to remain divalent. Here we study the bulk electronic structure of non-centrosymmetric Eu T Ge 3 ( T = Co, Ni, Rh, and Ir) by hard x-ray photoelectron spectroscopy. The Eu 3d core-level spectrum confirms the robust Eu 2+ valence state against the transition-metal substitutionmore » with a small contribution from Eu 3+ . The estimated Eu mean valence is around 2.1 in these compounds, as confirmed by multiplet calculations. In contrast, the Ge 2p spectrum shifts to higher binding energy upon cha nging the transition metal from 3d to 4d to 5d elements, hinting at a change in the Ge- T bonding strength. The valence bands of the different compounds are found to be well reproduced by ab initio band structure calculations.« less

Magnetic transition in Y-site doped multiferroic YMnO{sub 3}

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

Thakur, Rajesh K., E-mail: thakur.rajesh2009@gmail.com; Thakur, Rasna, E-mail: rasnathakur@yahoo.com; Gaur, N. K., E-mail: srl-nkgaur@yahoo.co.in

2016-05-06

We have synthesized polycrystalline hexagonal Y{sub 1-x}Sr{sub x}MnO{sub 3} (x=0.02, 0.1) compounds by using conventional solid state reaction method. The detailed structural investigations are carried out by using XRD studies which reveals the single phase formation of the reported compounds with hexagonal structure and space group P6{sub 3}cm (JCPDS: 25-1079). Further the XRD data of reported compounds were analyzed by RIETVELD (FULLPROFF) method which shows the decrease in the lattice parameter with increasing concentration of divalent strontium to Y-site. The observed pointed kinks in the specific heat study are indicative of the probable coupling in between the electric and magneticmore » orders in this class of materials. The reported systematic specific heat studies shows that the antiferromagnetic (AFM) transition temperature (T{sub N}) shifts to higher value with increasing concentration of Sr{sup 2+} ion in the YMnO{sub 3} compound which is attributed to the enhanced lattice contribution to the specific heat in the this compound. The present compound shows the independence of specific heat and magnetic transition temperature with applied magnetic field of 8T and 12T.« less

Exchange bias in bulk layered hydroxylammonium fluorocobaltate (NH₃OH)₂CoF₄.

PubMed

Jagličić, Z; Zentková, M; Mihalik, M; Arnold, Z; Drofenik, M; Kristl, M; Dojer, B; Kasunič, M; Golobič, A; Jagodič, M

2012-02-08

The magnetic properties of layered hydroxylammonium fluorocobaltate (NH(3)OH)(2)CoF(4) were investigated by measuring its dc magnetic susceptibility in zero-field-cooled (ZFC) and field-cooled (FC) regimes, its frequency dependent ac susceptibility, its isothermal magnetization curves after ZFC and FC regimes, and its heat capacity. Effects of pressure and magnetic field on magnetic phase transitions were studied by susceptibility and heat capacity measurements, respectively. The system undergoes a magnetic phase transition from a paramagnetic state to a canted antiferromagnetic state exhibiting a weak ferromagnetic behavior at T(C) = 46.5 K and an antiferromagnetic transition at T(N) = 2.9 K. The most spectacular manifestation of the complex magnetic behavior in this system is a shift of the isothermal magnetization hysteresis loop in a temperature range below 20 K after the FC regime-an exchange bias phenomenon. We investigated the exchange bias as a function of the magnetic field during cooling and as a function of temperature. The observed exchange bias was attributed to the large exchange anisotropy which exists due to the quasi-2D structure of the layered (NH(3)OH)(2)CoF(4) material.

Statistical thermodynamics of aligned rigid rods with attractive lateral interactions: Theory and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

dos Santos, G. J.; Linares, D. H.; Ramirez-Pastor, A. J.

2018-04-01

The phase behaviour of aligned rigid rods of length k (k-mers) adsorbed on two-dimensional square lattices has been studied by Monte Carlo (MC) simulations and histogram reweighting technique. The k-mers, containing k identical units (each one occupying a lattice site) were deposited along one of the directions of the lattice. In addition, attractive lateral interactions were considered. The methodology was applied, particularly, to the study of the critical point of the condensation transition occurring in the system. The process was monitored by following the fourth order Binder cumulant as a function of temperature for different lattice sizes. The results, obtained for k ranging from 2 to 7, show that: (i) the transition coverage exhibits a decreasing behaviour when it is plotted as a function of the k-mer size and (ii) the transition temperature, Tc, exhibits a power law dependence on k, Tc ∼k 0 , 4, shifting to higher values as k increases. Comparisons with an analytical model based on a generalization of the Bragg-Williams approximation (BWA) were performed in order to support the simulation technique. A significant qualitative agreement was obtained between BWA and MC results.

Bulk electronic structure of non-centrosymmetric EuTGe 3 (T=Co, Ni, Rh, Ir) studied by hard x-ray photoelectron spectroscopy

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

Utsumi, Yuki; Kasinathan, Deepa; Swatek, Przemys?aw

Non-centrosymmetric EuTGe 3 ( T = Co, Ni, Rh, and Ir) possesses magnetic Eu 2+ ions, and antiferromagnetic ordering appears at low temperatures. Transition-metal substitution leads to changes in the unit-cell volume and in the magnetic ordering. However, the magnetic ordering temperature does not scale with the volume change, and the Eu valence is expected to remain divalent. Here we study the bulk electronic structure of non-centrosymmetric Eu T Ge 3 ( T = Co, Ni, Rh, and Ir) by hard x-ray photoelectron spectroscopy. The Eu 3d core-level spectrum confirms the robust Eu 2+ valence state against the transition-metal substitutionmore » with a small contribution from Eu 3+ . The estimated Eu mean valence is around 2.1 in these compounds, as confirmed by multiplet calculations. In contrast, the Ge 2p spectrum shifts to higher binding energy upon cha nging the transition metal from 3d to 4d to 5d elements, hinting at a change in the Ge- T bonding strength. The valence bands of the different compounds are found to be well reproduced by ab initio band structure calculations.« less

Bulk electronic structure of non-centrosymmetric Eu T Ge3 (T =Co , Ni, Rh, Ir) studied by hard x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Utsumi, Yuki; Kasinathan, Deepa; Swatek, Przemysław; Bednarchuk, Oleksandr; Kaczorowski, Dariusz; Ablett, James M.; Rueff, Jean-Pascal

2018-03-01

Non-centrosymmetric Eu T Ge3 (T = Co, Ni, Rh, and Ir) possesses magnetic Eu2 + ions, and antiferromagnetic ordering appears at low temperatures. Transition-metal substitution leads to changes in the unit-cell volume and in the magnetic ordering. However, the magnetic ordering temperature does not scale with the volume change, and the Eu valence is expected to remain divalent. Here we study the bulk electronic structure of non-centrosymmetric Eu T Ge3 (T = Co, Ni, Rh, and Ir) by hard x-ray photoelectron spectroscopy. The Eu 3 d core-level spectrum confirms the robust Eu2 + valence state against the transition-metal substitution with a small contribution from Eu3 +. The estimated Eu mean valence is around 2.1 in these compounds, as confirmed by multiplet calculations. In contrast, the Ge 2 p spectrum shifts to higher binding energy upon changing the transition metal from 3 d to 4 d to 5 d elements, hinting at a change in the Ge-T bonding strength. The valence bands of the different compounds are found to be well reproduced by ab initio band structure calculations.

Direct observation of the lattice precursor of the metal-to-insulator transition in V2O3 thin films by surface acoustic waves

NASA Astrophysics Data System (ADS)

Kündel, J.; Pontiller, P.; Müller, C.; Obermeier, G.; Liu, Z.; Nateprov, A. A.; Hörner, A.; Wixforth, A.; Horn, S.; Tidecks, R.

2013-03-01

A surface acoustic wave (SAW) delay line is used to study the metal-to-insulator (MI) transition of V2O3 thin films deposited on a piezoelectric LiNbO3 substrate. Effects contributing to the sound velocity shift of the SAW which are caused by elastic properties of the lattice of the V2O3 films when changing the temperature are separated from those originating from the electrical conductivity. For this purpose the electric field accompanying the elastic wave of the SAW has been shielded by growing the V2O3 film on a thin metallic Cr interlayer (coated with Cr2O3), covering the piezoelectric substrate. Thus, the recently discovered lattice precursor of the MI transition can be directly observed in the experiments, and its fine structure can be investigated.

a Study of Dilute Aluminum and Vanadium NMR in Alpha-Titanium and in Hydrogen Doped Alpha-Titanium

NASA Astrophysics Data System (ADS)

Chou, Lih-Hsin

Nuclear magnetic resonance was used to investigate Ti-1 at.% V, Ti-2 at.% V, Ti-1 at.% Al, Ti-2 at.% Al and in addition samples of these alloys containing 1 and 2 at.% H. Computer simulation of the absorption curves incorporates the effects of nuclear quadrupole and anisotropic shift interactions, dipolar broadening, and inhomogeneous Knight shift distribution. From the simulation work, experimental parameters such as electric field gradient (EFG), axial anisotropic Knight shift K(,ax), and isotropic Knight shift are obtained. In addition to shedding light on certain features of bonding of V and Al in Ti, this information is used to discuss the trapping of hydrogen in these systems. The resonance of a simple metal (Al) and transition metal (V) at low concentration in a transition metal (Ti) matrix are compared. The localized states of an Al impurity appear to differ radically from the host Ti atomic structure; V present as a dilute solute appears to join the Ti lattice smoothly. Very small isotropic and anisotropic Knight shifts were observed for ('27)Al in Ti. This implies an absence of an orbital contribution and a small value for the s conduction electron density at the local Fermi surface in the vicinity of Al in Ti. A sizeable isotropic and anisotropic Knight shift was observed for ('51)V in Ti. This is thought to be the result of a large orbital contribution. The substitutional vanadium retains much of the character of V, but experiences the symmetry of the Ti lattice. Four outer electrons of V may form nearest neighbor bonds similarly to those between Ti atoms in pure titanium. The one extra electron on the V may be more s-like in character. Measurement of the temperature dependence of K(,ax) and EFG values at V solute atoms in a Ti matrix show that both K(,ax) and EFG increase as temperature decreases. The local electric field gradient contribution from non-s-electrons q(,non -s-el) is about 2 to 5 times larger than the q(,ion) values in magnitude. Because the sign of the EFG is not determined, the validity of the so called "universal correlation" could not be tested. For hydrogen charged Ti-2V alloys, a line shape change was observed at both room and liquid nitrogen temperatures. Thermodynamic and kinetic arguments which include the presence of hydride, dissolved hydrogen, and trapped hydrogen (trapping enthalpy 0.05 eV or greater) are offered to explain the data. No change in the solute resonance line was detected for hydrogen charged Ti-1V, or for hydrogen charged Ti-1Al and Ti-2Al.

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

Liebetrau, A.M.

Work is underway at Pacific Northwest Laboratory (PNL) to improve the probabilistic analysis used to model pressurized thermal shock (PTS) incidents in reactor pressure vessels, and, further, to incorporate these improvements into the existing Vessel Integrity Simulation Analysis (VISA) code. Two topics related to work on input distributions in VISA are discussed in this paper. The first involves the treatment of flaw size distributions and the second concerns errors in the parameters in the (Guthrie) equation which is used to compute ..delta..RT/sub NDT/, the shift in reference temperature for nil ductility transition.

Effect of trivalent iron substitution on structure and properties of PLZT ceramics

NASA Astrophysics Data System (ADS)

Dutta, S.; Choudhary, R. N. P.

2008-02-01

Polycrystalline samples of Fe-modified PLZT (lead lanthanum zirconate titanate) are prepared by a mixed-oxide reaction technique. The formation of the compound has been confirmed by X-ray powder diffraction studies. The unit cell structure of the material has been found to be rhombohedral. Fourier-transform infrared reflection (FTIR) spectra have been recorded to correspond the structural changes associated with the phase formation. The effects of Fe concentration on the microstructure and dielectric constant of PLZT materials have been investigated. The ferroelectric phase transition of PLFZT materials is studied using dielectric measurements, which shows a shift in the transition temperature towards the higher-temperature side with increased Fe ion concentration. The piezoelectric constants of this system are investigated by the same way of changed contents of Fe ion in the main PLZT compound. The optimum values of Qm, kp, and d33 are 73, 0.32 and 406. The electrical conductivity increases with the increase in Fe ion concentration.

Honey-Induced Protein Stabilization as Studied by Fluorescein Isothiocyanate Fluorescence

PubMed Central

Abdul Kadir, Habsah; Tayyab, Saad

2013-01-01

Protein stabilizing potential of honey was studied on a model protein, bovine serum albumin (BSA), using extrinsic fluorescence of fluorescein isothiocyanate (FITC) as the probe. BSA was labelled with FITC using chemical coupling, and urea and thermal denaturation studies were performed on FITC-labelled BSA (FITC-BSA) both in the absence and presence of 10% and 20% (w/v) honey using FITC fluorescence at 522 nm upon excitation at 495 nm. There was an increase in the FITC fluorescence intensity upon increasing urea concentration or temperature, suggesting protein denaturation. The results from urea and thermal denaturation studies showed increased stability of protein in the presence of honey as reflected from the shift in the transition curve along with the start point and the midpoint of the transition towards higher urea concentration/temperature. Furthermore, the increase in ΔG D H2O and ΔG D 25°C in presence of honey also suggested protein stabilization. PMID:24222758

Controlling thermal emission with refractory epsilon-near-zero metamaterials via topological transitions

NASA Astrophysics Data System (ADS)

Dyachenko, P. N.; Molesky, S.; Petrov, A. Yu; Störmer, M.; Krekeler, T.; Lang, S.; Ritter, M.; Jacob, Z.; Eich, M.

2016-06-01

Control of thermal radiation at high temperatures is vital for waste heat recovery and for high-efficiency thermophotovoltaic (TPV) conversion. Previously, structural resonances utilizing gratings, thin film resonances, metasurfaces and photonic crystals were used to spectrally control thermal emission, often requiring lithographic structuring of the surface and causing significant angle dependence. In contrast, here, we demonstrate a refractory W-HfO2 metamaterial, which controls thermal emission through an engineered dielectric response function. The epsilon-near-zero frequency of a metamaterial and the connected optical topological transition (OTT) are adjusted to selectively enhance and suppress the thermal emission in the near-infrared spectrum, crucial for improved TPV efficiency. The near-omnidirectional and spectrally selective emitter is obtained as the emission changes due to material properties and not due to resonances or interference effects, marking a paradigm shift in thermal engineering approaches. We experimentally demonstrate the OTT in a thermally stable metamaterial at high temperatures of 1,000 °C.

Nematic biaxiality in a bent-core material

NASA Astrophysics Data System (ADS)

Yoon, Hyung Guen; Kang, Shin-Woong; Dong, Ronald Y.; Marini, Alberto; Suresh, Kattera A.; Srinivasarao, Mohan; Kumar, Satyendra

2010-05-01

The results of a recent investigation of the nematic biaxiality in a bent-core mesogen (A131) are in apparent disagreement with earlier claims. Samples of mesogen A131 used in the two studies were investigated with polarized optical microscopy, conoscopy, carbon-13 NMR, and crossover frequency measurements. The results demonstrate that textural changes associated with the growth of biaxial nematic order appear at ˜149°C . The Maltese cross observed in the conoscopic figure gradually splits into two isogyres at lower temperatures indicating phase biaxiality. Presence of the uniaxial to biaxial nematic phase transition is further confirmed by temperature trends of local order parameters based on C13 chemical shifts in NMR experiments. Frequency switching measurements also clearly reveal a transition at 149°C . Differences between the two reports appear to be related to the presence of solvent, impurities, and/or adsorbed gases in samples of A131 used in the study of Van Le [Phys. Rev. E 79, 030701 (2009)].

Controlling thermal emission with refractory epsilon-near-zero metamaterials via topological transitions

PubMed Central

Dyachenko, P. N.; Molesky, S.; Petrov, A. Yu; Störmer, M.; Krekeler, T.; Lang, S.; Ritter, M.; Jacob, Z.; Eich, M.

2016-01-01

Control of thermal radiation at high temperatures is vital for waste heat recovery and for high-efficiency thermophotovoltaic (TPV) conversion. Previously, structural resonances utilizing gratings, thin film resonances, metasurfaces and photonic crystals were used to spectrally control thermal emission, often requiring lithographic structuring of the surface and causing significant angle dependence. In contrast, here, we demonstrate a refractory W-HfO2 metamaterial, which controls thermal emission through an engineered dielectric response function. The epsilon-near-zero frequency of a metamaterial and the connected optical topological transition (OTT) are adjusted to selectively enhance and suppress the thermal emission in the near-infrared spectrum, crucial for improved TPV efficiency. The near-omnidirectional and spectrally selective emitter is obtained as the emission changes due to material properties and not due to resonances or interference effects, marking a paradigm shift in thermal engineering approaches. We experimentally demonstrate the OTT in a thermally stable metamaterial at high temperatures of 1,000 °C. PMID:27263653

Re-appearance of cooperativity in ultra-small spin-crossover [Fe(pz){Ni(CN)₄}] nanoparticles.

PubMed

Peng, Haonan; Tricard, Simon; Félix, Gautier; Molnár, Gábor; Nicolazzi, William; Salmon, Lionel; Bousseksou, Azzedine

2014-10-06

A reverse nanoemulsion technique was used for the elaboration of [Fe(pz){Ni(CN)4}] nanoparticles. Low-temperature micellar exchange made it possible to elaborate ultra-small nanoparticles with sizes down to 2 nm. When decreasing the size of the particles from 110 to 12 nm the spin transition shifts to lower temperatures, becomes gradual, and the hysteresis shrinks. On the other hand, a re-opening of the hysteresis was observed for smaller (2 nm) particles. A detailed (57)Fe Mössbauer spectroscopy analysis was used to correlate this unusual phenomenon to the modification of the stiffness of the nanoparticles thanks to the determination of their Debye temperature. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electric field control of magnetic properties in FeRh/PMN-PT heterostructures

NASA Astrophysics Data System (ADS)

Xie, Yali; Zhan, Qingfeng; Shang, Tian; Yang, Huali; Liu, Yiwei; Wang, Baomin; Li, Run-Wei

2018-05-01

We investigated electric control of magnetic properties in FeRh/PMN-PT heterostructures. An electric field of 1 kV/cm applied on the PMN-PT substrate could increase the coercivity of FeRh film from 60 to 161 Oe at 360 K where the FeRh antiferromagnetic to ferromagnetic phase transition occurs. The electric field dependent coercive field reveals a butterfly shape, indicating a strain-mediated magnetoelectric coupling across the FeRh/PMN-PT interface. However, the uniaxial magnetic anisotropy of FeRh is almost unchanged with the applied electric field on the PMN-PT substrate, which suggests the change of coercivity in FeRh films is mainly due to the shift of the magnetic transition temperature under the electric field.

Second-harmonic phonon spectroscopy of α -quartz

NASA Astrophysics Data System (ADS)

Winta, Christopher J.; Gewinner, Sandy; Schöllkopf, Wieland; Wolf, Martin; Paarmann, Alexander

2018-03-01

We demonstrate midinfrared second-harmonic generation as a highly sensitive phonon spectroscopy technique that we exemplify using α -quartz (SiO2) as a model system. A midinfrared free-electron laser provides direct access to optical phonon resonances ranging from 350 to 1400 cm-1 . While the extremely wide tunability and high peak fields of a free-electron laser promote nonlinear spectroscopic studies—complemented by simultaneous linear reflectivity measurements—azimuthal scans reveal crystallographic symmetry information of the sample. Additionally, temperature-dependent measurements show how damping rates increase, phonon modes shift spectrally and in certain cases disappear completely when approaching Tc=846 K where quartz undergoes a structural phase transition from trigonal α -quartz to hexagonal β -quartz, demonstrating the technique's potential for studies of phase transitions.

Corrigendum to "Measurement and computations for temperature dependences of self-broadened carbon dioxide transitions in the 30012←00001 and 30013←00001 bands" [J. Quant. Spectrosc. Radiat. Transf., 111 (9) (2010) 1065-1079

NASA Astrophysics Data System (ADS)

Predoi-Cross, Adriana; Liu, W.; Murphy, Reba; Povey, Chad; Gamache, R.; Laraia, A.; McKellar, A. R. W.; Hurtmans, Daniel; Devi, V. M.

2015-10-01

The group of authors would like to make the following clarification: the retrievals of self-broadened temperature dependence coefficients were performed by the authors both using the multispectrum fit program from Ref. [14] and using the multispectrum fit program of D. Chris Benner [Benner DC, Rinsland CP, Devi VM, Smith MAH, Atkins D. A multispectrum nonlinear least-squares fitting technique. J. Quant. Spectrosc. Radiat. Transf. 1995;53:705-21.). To retrieve the room temperature self-broadening parameters, the authors have used the values in Ref. [4]. For reasons of consistency with the results published for air-broadening and air-shift temperature dependence coefficients in A. Predoi-Cross, A.R.W. McKellar, D. Chris Benner, V. Malathy Devi, R.R. Gamache, C.E. Miller, R.A. Toth, L.R. Brown, Temperature dependences for air-broadened Lorentz half width and pressure-shift coefficients in the 30013←00001 and 30012←00001 bands of CO2near 1600 μm, Canadian Journal of Physics, 87 (5) (2009) 517-535, Tables 2 and 3, and Figures 2 and 4 contain only the values retrieved using the multispectrum fit program of D. Chris Benner. We would like to thank D. Chris Benner for allowing us to use his fitting software.

Pressure-magnetic field induced phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy

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

Rama Rao, N. V., E-mail: nvrrao@dmrl.drdo.in; Manivel Raja, M.; Pandian, S.

2014-12-14

The effect of hydrostatic pressure and magnetic field on the magnetic properties and phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy was investigated. Pressure (P)-magnetic field (H)-temperature (T) phase diagram has been constructed from experimental results. In the P–T contour of the phase diagram, the slope of the austenite-martensite phase boundary line appears positive (dT/dP > 0), while it appears negative (dT/dH < 0) in the H–T contour. The results revealed that pressure and magnetic field have opposite effect on phase stabilization. The combined effect of pressure and magnetic field on martensitic transition has led to two important findings: (i) pressure dependent shiftmore » of austenite start temperature (A{sub s}) is higher when larger field is applied, and (ii) field dependent shift of A{sub s} is lowered when a higher pressure is applied. The pressure and magnetic field dependent shift observed in the martensitic transformation has been explained on the basis of thermodynamic calculations. Curie temperature of the phases was found to increase with pressure at a rate of 0.6 K/kbar.« less

Effect of temperature on the spectral properties of InP/ZnS nanocrystals

NASA Astrophysics Data System (ADS)

Savchenko, S. S.; Vokhmintsev, A. S.; Weinstein, I. A.

2018-01-01

Optical absorption (OA) and photoluminescence (PL) spectra of InP/ZnS core/shell nanocrystals with 2.3 nm average size were investigated in the temperature range of 6.5-296 K. Using second derivative spectrophotometry technique energies of the OA transitions at 296 K in quantum dot (QD) solutions and films are evaluated to be E 1 = 2.37, E 2 = 4.10 and E 3 = 4.68 eV. Temperature shifts of the E 1 and E 2 levels are found to result from interaction with effective phonons of 59 and 37 meV energies, respectively. Herewith the 370 meV half-width of the first exciton absorption peak remains constant due to the dominance of inhomogeneous broadening effects caused by QD parameters distribution. Measured PL spectra have a complex structure and can be described in 6.5-296 K range by two independent Gaussian components associated with exciton and defect-related states. In addition, Stokes shift of 320 meV is observed to decrease at T > 200 K. PL thermal quenching analysis in frame of Mott mechanism points to presence of non-radiative relaxation channel with an activation energy of 74 meV.

Shift Work Disorder, Depression, and Anxiety in the Transition to Rotating Shifts: The Role of Sleep Reactivity

PubMed Central

Kalmbach, David A; Pillai, Vivek; Cheng, Philip; Arnedt, J Todd; Drake, Christopher L

2016-01-01

Objectives To investigate premorbid sleep reactivity as a vulnerability to incident shift work disorder and related changes in depression and anxiety following a transition to a rotating shifts work schedule. Methods This is a longitudinal study with two waves of data collection. The community-based sample included normal sleeping non-shift workers (N=96; 62.5% female; 47.9±13.3 yo) without a lifetime history of insomnia or baseline excessive daytime sleepiness who transitioned to rotating shift work one year later. Participants reported demographic characteristics, trait sleep reactivity on the Ford Insomnia Response to Stress Test, depression symptoms on the Quick Inventory of Depression Symptomatology, and anxiety symptoms on the Beck Anxiety Inventory. Shift work disorder was determined based on significant sleep disturbance and/or excessive sleepiness in the context of working a rotating shifts schedule. Results Analyses revealed that the odds were over five times greater for highly sleep reactive individuals to develop shift work disorder after transitioning to rotating shifts (OR=5.59, p=.04). Nearly 90% of shift work disorder sufferers were accurately identified as high risk at 1-y prior to disease onset. Furthermore, individuals who developed SWD reported greater increases in symptoms of depression and anxiety. Finally, analyses revealed significant indirect effects wherein high sleep reactivity increased risk for SWD, which led to greater severity of anxiety and depression symptoms. Conclusions The FIRST accurately identifies a focused target population in which the premorbid psychobiological processes complicit in SWD onset and progression, as well as shift work-related depression and anxiety changes, can be better investigated, thus improving future preventative efforts. PMID:26611952

On the studies of thermodynamics properties of fast neutron irradiated (LixK1-x)2SO4 crystals

NASA Astrophysics Data System (ADS)

El-Khatib, A. M.; Kassem, M. E.; Gomaa, N. G.; Mahmoud, S. A.

The effect of fast neutron irradiation on the thermodynamic properties of (LixK1-x)2SO4, (x = 0.1, 0.2,˙˙˙˙˙˙˙˙0.5) has been studied. The measurements were carried out in the vicinity of phase transition. The study reveals that as the lithium content decreases the first high temperature phase Tc = 705 K disappears, while the second one is shifted to lower temperature. It is observed also that the specific heat, Cp, decreases sharply with neutron integrated fluence φ and increases once more. Both entropy and enthalpy changes increase with the increase of neutron integrated fluence.

Correlations between the resonant frequency shifts and the thermodynamic quantities for the α-β transition in quartz

NASA Astrophysics Data System (ADS)

Lider, M. C.; Yurtseven, H.

2018-05-01

The resonant frequency shifts are related to the thermodynamic quantities (compressibility, order parameter and susceptibility) for the α-β transition in quartz. The experimental data for the resonant frequencies and the bulk modulus from the literature are used for those correlations. By calculating the order parameter from the mean field theory, correlation between the resonant frequencies of various modes and the order parameter is examined according to the quasi-harmonic phonon theory for the α-β transition in quartz. Also, correlation between the bulk modulus in relation to the resonant frequency shifts and the order parameter susceptibility is constructed for the α-β transition in this crystalline system.

Thermodynamics phase transition and Hawking radiation of the Schwarzschild black hole with quintessence-like matter and a deficit solid angle

NASA Astrophysics Data System (ADS)

Rodrigue, Kamiko Kouemeni Jean; Saleh, Mahamat; Thomas, Bouetou Bouetou; Kofane, Timoleon Crepin

2018-05-01

In this paper, we investigate the thermodynamics and Hawking radiation of Schwarzschild black hole with quintessence-like matter and deficit solid angle. From the metric of the black hole, we derive the expressions of temperature and specific heat using the laws of black hole thermodynamics. Using the null geodesics method and Parikh-Wilczeck tunneling method, we derive the expressions of Boltzmann factor and the change of Bekenstein-Hawking entropy for the black hole. The behaviors of the temperature, specific heat, Boltzmann factor and the change of Bekenstein entropy versus the deficit solid angle (ɛ 2) and the density of static spherically symmetric quintessence-like matter (ρ 0) were explicitly plotted. The results show that, when the deficit solid angle (ɛ 2) and the density of static spherically symmetric quintessence-like matter at r=1 (ρ 0) vanish (ρ 0=ɛ =0), these four thermodynamics quantities are reduced to those obtained for the simple case of Schwarzschild black hole. For low entropies, the presence of quintessence-like matter induces a first order phase transition of the black hole and for the higher values of the entropies, we observe the second order phase transition. When increasing ρ 0, the transition points are shifted to lower entropies. The same thing is observed when increasing ɛ 2. In the absence of quintessence-like matter (ρ 0=0), these transition phenomena disappear. Moreover the rate of radiation decreases when increasing ρ 0 or (ɛ ^2).

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system.

PubMed

Drozdov, A P; Eremets, M I; Troyan, I A; Ksenofontov, V; Shylin, S I

2015-09-03

A superconductor is a material that can conduct electricity without resistance below a superconducting transition temperature, Tc. The highest Tc that has been achieved to date is in the copper oxide system: 133 kelvin at ambient pressure and 164 kelvin at high pressures. As the nature of superconductivity in these materials is still not fully understood (they are not conventional superconductors), the prospects for achieving still higher transition temperatures by this route are not clear. In contrast, the Bardeen-Cooper-Schrieffer theory of conventional superconductivity gives a guide for achieving high Tc with no theoretical upper bound--all that is needed is a favourable combination of high-frequency phonons, strong electron-phonon coupling, and a high density of states. These conditions can in principle be fulfilled for metallic hydrogen and covalent compounds dominated by hydrogen, as hydrogen atoms provide the necessary high-frequency phonon modes as well as the strong electron-phonon coupling. Numerous calculations support this idea and have predicted transition temperatures in the range 50-235 kelvin for many hydrides, but only a moderate Tc of 17 kelvin has been observed experimentally. Here we investigate sulfur hydride, where a Tc of 80 kelvin has been predicted. We find that this system transforms to a metal at a pressure of approximately 90 gigapascals. On cooling, we see signatures of superconductivity: a sharp drop of the resistivity to zero and a decrease of the transition temperature with magnetic field, with magnetic susceptibility measurements confirming a Tc of 203 kelvin. Moreover, a pronounced isotope shift of Tc in sulfur deuteride is suggestive of an electron-phonon mechanism of superconductivity that is consistent with the Bardeen-Cooper-Schrieffer scenario. We argue that the phase responsible for high-Tc superconductivity in this system is likely to be H3S, formed from H2S by decomposition under pressure. These findings raise hope for the prospects for achieving room-temperature superconductivity in other hydrogen-based materials.

Resonance and Variable Temperature Raman Studies of Chloroperoxidase and Methemoglobin.

NASA Astrophysics Data System (ADS)

Remba, Ronald David

1980-12-01

Raman spectra of the heme proteins chloroperoxidase and methemoglobin, chemically and temperature modified, are obtained for laser excitation near the Soret absorption band. Numerous biochemical and physical results are obtained. The following observations for chloroperoxidase have been made. The scattered intensity for resonance (406.7 nm) excitation is at least twenty times that for near resonance (457.9 nm) excitation. In resonance only totally symmetric modes are enhanced. The positions of marker band I ((TURN) 1370 cm(' -1)) for both the native and reduced enzymes are lower than expected for high-spin heme proteins indicating a strongly electron donating axial ligand. From shifts in spin-sensitive Raman peaks as the temperature is lowered, a high-spin to low-spin transition of the heme iron is inferred. Raman spectra of chloroperoxidase liganded with small ions indicate that there is a second anion binding site near the heme. Photo-dissociation of CO from reduced chloroperoxidase is observed. The position of marker band I in the CO complex indicates that electron density is transferred from the heme onto the CO. The resonance Raman spectra of chloroperoxidase and cytochrome P-450 are nearly identical and are very different from those of horseradish peroxidase and cytochrome c. These results, particularly for the reduced enzymes, indicate that the heme sites in chloroperoxidase and P -450 are essentially the same. Raman spectra of a number of methemoglobins complexed with various small ions are obtained as a function of temperature in the region of spin-sensitive marker band (II) ((TURN) 1500 cm('-1)) for laser excitation near the Soret absorption band. For certain ligands, H(,2)O, N(,3)('-), OCN('-), OH('-) and SCN('-), the iron spin state changes from high spin to low spin with decreasing temperature. The relative spin concentrations are monitored by measuring the Raman intensity ratio, I(,h)/I(,1), of the high-spin and low -spin versions of marker band (II) as a function of temperature. This is the first study where the marker band technique is used to measure quantitatively spin transitions. For hydroxide and cyanate methemoglobin, log(I(,h)/I(,1)) varies linearly with 1/T, indicating a high-spin/low-spin thermal equilibrium. The data are analyzed to extract enthalpic and entropic changes. (DELTA)H values from Raman and static magnetic susceptibility techniques show good agreement. (DELTA)S values for horse hydroxide methemoglobin also agree. However, for cyanate methemoglobin, Raman and susceptibility (DELTA)S values differ substantially. Other evidence (ESR, optical, etc.) supports the Raman result. The discrepancy is probably due to the effects of freezing on the protein solution. Other methemoglobins show a discontinuity in the Raman intensity ratio at the freezing transition indicating a non-equilibrium situation where the freezing process drives the spin transition. Effects of freezing the protein solution on the spin transition are discussed. Both the high-spin and low-spin Raman frequencies are observed to remain constant (within (+OR-) 2 cm('-1)) when the temperature is varied. This is discussed in terms of core expansion and heme deformation. Experimental (DELTA)S values are much larger than the spin-only value. This is discussed in terms of a linear temperature dependence on the energy gap between the ('2)T(,2) ground state and the ('6)A(,1) first excited state. Variable temperature Raman data for carp azide methemoglobin with and without IHP indicate that the free energy for the spin transition decreases by 0.6 (+OR-) 0.3 kcal/mole when hemoglobin quaternary structure changes from R to T. Lack of any frequency shift in either the high-spin or low-spin Raman band upon addition of IHP is consistent with other evidence indicating no iron movement upon conversion of R to T quaternary forms.

Single crystal growth and structural evolution across the 1st order valence transition in (Pr 1–yY y) 1–xCa xCoO 3-δ

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

Schreiber, N. J.; Zhang, Junjie; Zheng, Hong

Here, praseodymium-containing cobalt perovskites, such as (Pr 1-yY y) 1-xCa xCoO 3-δ, have been argued to undergo a first-order charge shift between Pr and hybridized Co-O orbitals that leads to a metal-insulator transition at a temperature, T VT. Magnetization and x-ray absorption spectroscopy measurements on single crystals of (Pr 0.85Y 0.15) 0.7Ca 0.3CoO 3-δ grown in an IR image furnace under 40-60 bar of oxygen confirm the presence of this valence transition. Single crystal x-ray synchrotron diffraction measurements are consistent with an isomorphic phase transition at T VT. No evidence of charge ordering was revealed by the single crystal diffraction.more » Dissimilar to analytical transmission electron microscopy measurements performed on a grain from a polycrystalline sample that revealed an oxygen vacancy order-disorder transition at T VT, the present single-crystal measurements did not evidence such a transition, likely reflecting a lower density of oxygen vacancies in the high-pO 2 grown single crystals.« less

Single crystal growth and structural evolution across the 1st order valence transition in (Pr 1–yY y) 1–xCa xCoO 3-δ

DOE PAGES

Schreiber, N. J.; Zhang, Junjie; Zheng, Hong; ...

2017-06-27

Here, praseodymium-containing cobalt perovskites, such as (Pr 1-yY y) 1-xCa xCoO 3-δ, have been argued to undergo a first-order charge shift between Pr and hybridized Co-O orbitals that leads to a metal-insulator transition at a temperature, T VT. Magnetization and x-ray absorption spectroscopy measurements on single crystals of (Pr 0.85Y 0.15) 0.7Ca 0.3CoO 3-δ grown in an IR image furnace under 40-60 bar of oxygen confirm the presence of this valence transition. Single crystal x-ray synchrotron diffraction measurements are consistent with an isomorphic phase transition at T VT. No evidence of charge ordering was revealed by the single crystal diffraction.more » Dissimilar to analytical transmission electron microscopy measurements performed on a grain from a polycrystalline sample that revealed an oxygen vacancy order-disorder transition at T VT, the present single-crystal measurements did not evidence such a transition, likely reflecting a lower density of oxygen vacancies in the high-pO 2 grown single crystals.« less

Unexpectedly large difference of the electron density at the nucleus in the 4p ^2{P}_{{1}/{2},{3}/{2}} fine-structure doublet of Ca^+

NASA Astrophysics Data System (ADS)

Shi, C.; Gebert, F.; Gorges, C.; Kaufmann, S.; Nörtershäuser, W.; Sahoo, B. K.; Surzhykov, A.; Yerokhin, V. A.; Berengut, J. C.; Wolf, F.; Heip, J. C.; Schmidt, P. O.

2017-01-01

We measured the isotope shift in the ^2{S}_{{1}/{2}} → ^2{P}_{{3}/{2}} (D2) transition in singly ionized calcium ions using photon recoil spectroscopy. The high accuracy of the technique enables us to compare the difference between the isotope shifts of this transition to the previously measured isotopic shifts of the ^2{S}_{{1}/{2}} → ^2{P}_{{1}/{2}} (D1) line. This so-called splitting isotope shift is extracted and exhibits a clear signature of field shift contributions. From the data, we were able to extract the small difference of the field shift coefficient and mass shifts between the two transitions with high accuracy. This J-dependence is of relativistic origin and can be used to benchmark atomic structure calculations. As a first step, we use several ab initio atomic structure calculation methods to provide more accurate values for the field shift constants and their ratio. Remarkably, the high-accuracy value for the ratio of the field shift constants extracted from the experimental data is larger than all available theoretical predictions.

The joint influence of photoperiod and temperature during growth cessation and development of dormancy in white spruce (Picea glauca).

PubMed

Hamilton, Jill A; El Kayal, Walid; Hart, Ashley T; Runcie, Daniel E; Arango-Velez, Adriana; Cooke, Janice E K

2016-11-01

Timely responses to environmental cues enable the synchronization of phenological life-history transitions essential for the health and survival of north-temperate and boreal tree species. While photoperiodic cues will remain persistent under climate change, temperature cues may vary, contributing to possible asynchrony in signals influencing developmental and physiological transitions essential to forest health. Understanding the relative contribution of photoperiod and temperature as determinants of the transition from active growth to dormancy is important for informing adaptive forest management decisions that consider future climates. Using a combination of photoperiod (long = 20 h or short = 8 h day lengths) and temperature (warm = 22 °C/16 °C and cool = 8 °C/4 °C day/night, respectively) treatments, we used microscopy, physiology and modeling to comprehensively examine hallmark traits of the growth-dormancy transition-including bud formation, growth cessation, cold hardiness and gas exchange-within two provenances of white spruce [Picea glauca (Moench) Voss] spanning a broad latitude in Alberta, Canada. Following exposure to experimental treatments, seedlings were transferred to favorable conditions, and the depth of dormancy was assessed by determining the timing and ability of spruce seedlings to resume growth. Short photoperiods promoted bud development and growth cessation, whereas longer photoperiods extended the growing season through the induction of lammas growth. In contrast, cool temperatures under both photoperiodic conditions delayed bud development. Photoperiod strongly predicted the development of cold hardiness, whereas temperature predicted photosynthetic rates associated with active growth. White spruce was capable of attaining endodormancy, but its release was environmentally determined. Dormancy depth varied substantially across experimental treatments suggesting that environmental cues experienced within one season could affect growth in the following season, which is particularly important for a determinate species such as white spruce. The joint influence of these environmental cues points toward the importance of including local constant photoperiod and shifting temperature cues into predictive models that consider how climate change may affect northern forests. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Enhanced magneto-caloric effect upon Co substitution in Ni-Mn-Sn thin films

NASA Astrophysics Data System (ADS)

Modak, Rajkumar; Raja, M. Manivel; Srinivasan, A.

2018-02-01

Mn rich Ni-Mn-Sn and Ni-Mn-Co-Sn alloy films were deposited on Si (1 0 0) substrate by dc magnetron sputtering from Ni50Mn37Sn13 alloy target at 1.8 Pa Ar pressure with 70 W dc power. Co was introduced by placing Co chips on the Ni-Mn-Sn target. As-deposited films were vacuum annealed at 823 K for 1 h. X-ray diffraction patterns of the films revealed modulated 14 M structure of the martensite phase at room temperature. Magnetic entropy change (ΔSm) across the Curie temperature of the ferromagnetic films was estimated from initial isothermal magnetization curves using Maxwell's equation. ΔSm and refrigeration capacity (RC) of Ni-Mn-Sn and Ni-Mn-Co-Sn films increased with increasing film thickness. Upon Co substitution in Mn/Sn site(s), ΔSm and RC increased more remarkably. The change is more prominent in the case of 360 nm films, wherein a 3.8-fold increase in ΔSM and 8.9-fold increase in RC was observed. Introduction of Co increased the magnetic moment and broadened the magnetic transition. These factors increased ΔSm and RC in Co substituted Ni-Mn-Sn alloy. Since TC shifted to higher temperatures with Co substitution, operating temperature of these magnetic refrigerants also shifted to higher temperature. This study indicates the possibility of developing high temperature cooling devices and waste energy harvesters using these films.

Critical slowing down associated with regime shifts in the US housing market

NASA Astrophysics Data System (ADS)

Tan, James Peng Lung; Cheong, Siew Siew Ann

2014-02-01

Complex systems are described by a large number of variables with strong and nonlinear interactions. Such systems frequently undergo regime shifts. Combining insights from bifurcation theory in nonlinear dynamics and the theory of critical transitions in statistical physics, we know that critical slowing down and critical fluctuations occur close to such regime shifts. In this paper, we show how universal precursors expected from such critical transitions can be used to forecast regime shifts in the US housing market. In the housing permit, volume of homes sold and percentage of homes sold for gain data, we detected strong early warning signals associated with a sequence of coupled regime shifts, starting from a Subprime Mortgage Loans transition in 2003-2004 and ending with the Subprime Crisis in 2007-2008. Weaker signals of critical slowing down were also detected in the US housing market data during the 1997-1998 Asian Financial Crisis and the 2000-2001 Technology Bubble Crisis. Backed by various macroeconomic data, we propose a scenario whereby hot money flowing back into the US during the Asian Financial Crisis fueled the Technology Bubble. When the Technology Bubble collapsed in 2000-2001, the hot money then flowed into the US housing market, triggering the Subprime Mortgage Loans transition in 2003-2004 and an ensuing sequence of transitions. We showed how this sequence of couple transitions unfolded in space and in time over the whole of US.

Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2].

PubMed

Kühn, Michael; Lebedkin, Sergei; Weigend, Florian; Eichhöfer, Andreas

2017-01-31

The optical properties of four isostructural trinuclear chalcogenolato bridged metal complexes [Cu 2 Sn(SPh) 6 (PPh 3 ) 2 ], [Cu 2 Sn(SePh) 6 (PPh 3 ) 2 ], [Ag 2 Sn(SPh) 6 (PPh 3 ) 2 ] and [Cu 2 Ti(SPh) 6 (PPh 3 ) 2 ] have been investigated by absorption and photoluminescence spectroscopy and time-dependent density functional theory (TDDFT) calculations. All copper-tin compounds demonstrate near-infrared (NIR) phosphorescence at ∼900-1100 nm in the solid state at low temperature, which is nearly absent at ambient temperature. Stokes shifts of these emissions are found to be unusually large with values of about 1.5 eV. The copper-titanium complex [Cu 2 Ti(SPh) 6 (PPh 3 ) 2 ] also shows luminescence in the NIR at 1090 nm but with a much faster decay (τ ∼ 10 ns at 150 K) and a much smaller Stokes shift (ca. 0.3 eV). Even at 295 K this fluorescence is found to comprise a quantum yield as high as 9.5%. The experimental electronic absorption spectra well correspond to the spectra simulated from the calculated singlet transitions. In line with the large Stokes shifts of the emission spectra the calculations reveal for the copper-tin complexes strong structural relaxation of the excited triplet states whereas those effects are found to be much smaller in the case of the copper-titanium complex.

John H. Dillon Medal Lecture: Magnetic Field Directed Self-Assembly of Block Copolymers and Surfactant Mesophases

NASA Astrophysics Data System (ADS)

Osuji, Chinedum

2015-03-01

Molecular self-assembly of block copolymers and small molecule surfactants gives rise to a rich phase behavior as a function of temperature, composition, and other variables. We consider the directed self-assembly of such soft mesophases using magnetic fields, principally through the use of in situ x-ray scattering studies. Field alignment is predicated on a sufficiently large product of magnetic anisotropy and grain size to produce magnetostatic interactions which are substantive relative to thermal forces. We examine the role of field strength on the phase behavior and alignment dynamics of a series of soft mesophases, outlining the possibility to readily create highly ordered functional materials over macroscopic length scales. We show that magnetic fields as large as 10 T have little discernable impact on the stability of block copolymer systems considered, with shifts in order-disorder transition temperatures of roughly 5 mK or smaller. Consequently, directed self-assembly in these systems proceeds by nucleation of randomly aligned grains which thereafter rotate into registry with the field. We highlight the tradeoff between decreasing mobility and increasing anisotropic field interaction that dictates alignment kinetics while transiting from a high temperature disordered state to an ordered system at lower temperatures. NSF support through DMR-0847534 is gratefully acknowledged.

Synthesis and luminescence properties of CaSnO3 :Bi3+ blue phosphor and the emission improvement by Li+ ion.

PubMed

Cao, Renping; Zhang, Jinlong; Wang, Wudi; Hu, Qianglin; Li, Wensheng; Ruan, Wen; Ao, Hui

2017-09-01

CaSnO 3 :Bi 3+ blue-emitting phosphor was synthesized using a high-temperature solid-state reaction method in air. The crystal structures and luminescence properties were investigated. A broad emission band peaking at ~448 nm upon excitation at 262 and 308 nm was observed in the range 330-680 nm at room temperature due to 3 P 1  →  1 S 0 transition of the Bi 3+ ion. The chromaticity coordinate was (0.1786, 0.1665). The optimal Bi 3+ ion concentration was ~0.6 mol% in CaSnO 3 :Bi 3+ phosphor. The emission spectrum of CaSnO 3 :Bi 3+ phosphor showed a blue-shift with increasing temperature from 50 to 300 K due to the influence of temperature on the electron transition of the Bi 3+ ion. The emission intensity of CaSnO 3 :Bi 3+ phosphor may be increased ~1.45 times by co-doping Li + ions as a charge compensator and fluxing agent. The luminescence mechanism is explained by a configurational coordinate diagram of Bi 3+ ion in CaSnO 3 :Bi 3+ phosphor. Copyright © 2017 John Wiley & Sons, Ltd.

An approach to predict the shape-memory behavior of amorphous polymers from Dynamic Mechanical Analysis (DMA) data

NASA Astrophysics Data System (ADS)

Kuki, Ákos; Czifrák, Katalin; Karger-Kocsis, József; Zsuga, Miklós; Kéki, Sándor

2015-02-01

The prediction of shape-memory behavior is essential regarding the design of a smart material for different applications. This paper proposes a simple and quick method for the prediction of shape-memory behavior of amorphous shape memory polymers (SMPs) on the basis of a single dynamic mechanical analysis (DMA) temperature sweep at constant frequency. All the parameters of the constitutive equations for linear viscoelasticity are obtained by fitting the DMA curves. The change with the temperature of the time-temperature superposition shift factor ( a T ) is expressed by the Williams-Landel-Ferry (WLF) model near and above the glass transition temperature ( T g ), and by the Arrhenius law below T g . The constants of the WLF and Arrhenius equations can also be determined. The results of our calculations agree satisfactorily with the experimental free recovery curves from shape-memory tests.

Thermometry of ultracold atoms by electromagnetically induced transparency

NASA Astrophysics Data System (ADS)

Peters, Thorsten; Wittrock, Benjamin; Blatt, Frank; Halfmann, Thomas; Yatsenko, Leonid P.

2012-06-01

We report on systematic numerical and experimental investigations of electromagnetically induced transparency (EIT) to determine temperatures in an ultracold atomic gas. The technique relies on the strong dependence of EIT on atomic motion (i.e., Doppler shifts), when the relevant atomic transitions are driven with counterpropagating probe and control laser beams. Electromagnetically induced transparency permits thermometry with satisfactory precision over a large temperature range, which can be addressed by the appropriate choice of Rabi frequency in the control beam. In contrast to time-of-flight techniques, thermometry by EIT is fast and nondestructive, i.e., essentially it does not affect the ultracold medium. In an experimental demonstration we apply both EIT and time-of-flight measurements to determine temperatures along different symmetry axes of an anisotropic ultracold gas. As an interesting feature we find that the temperatures in the anisotropic atom cloud vary in different directions.

Dielectric and Energy Storage Properties of the Heterogeneous P(VDF-HFP)/PC Composite Films

NASA Astrophysics Data System (ADS)

Zhao, Xiaojia; Peng, Guirong; Zhan, Zaiji

2017-12-01

Polymer-based materials with a high discharge energy and low energy loss have attracted considerable attention for energy storage applications. A new class of polymer-based composite films composed of amorphous polycarbonate (PC) and poly(vinylidene fluoride-hexafluoropropylene) [P(VDF-HFP)] has been fabricated by simply solution blending followed by thermal treatment under vacuum. The results show that the diameter of the spherical phase for PC and the melting temperature of P(VDF-HFP) increase, and the crystallinity and crystallization temperature of P(VDF-HFP) decrease with increasing PC content. The phase transition from the polar β phase to weak polarity γ phase is induced by PC addition. Moreover, the Curie temperature of the P(VDF-HFP)/PC composite films shifts to a lower temperature. With the addition of PC, the permittivity, polarization and discharge energy of the P(VDF-HFP)/PC composite films slightly decrease. However, the energy loss is significantly reduced.

Photoreflectance study of the near-band-edge transitions of chemical vapor deposition-grown mono- and few-layer MoS{sub 2} films

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

Lin, Kuang-I, E-mail: kilin@mail.ncku.edu.tw; Chen, Yen-Jen; Wang, Bo-Yan

2016-03-21

Room-temperature photoreflectance (PR) and reflectance (R) spectroscopy are utilized to investigate the near-band-edge transitions of molybdenum disulfide (MoS{sub 2}) thin films grown on sapphire substrates by a hot-wall chemical vapor deposition system. The layer thickness and optical properties of the MoS{sub 2} thin films are confirmed by Raman spectroscopy, atomic force microscope, and photoluminescence (PL) analysis. The B exciton shows relatively weak PL intensity in comparing with the A exciton even for monolayer MoS{sub 2} films. In the R spectrum of few‐layer MoS{sub 2}, it is not possible to clearly observe exciton related features. The PR spectra have two sharp,more » derivative-like features on a featureless background. Throughout the PR lineshape fitting, the transition energies are designated as the A and B excitons at the K-point of the Brillouin zone, but at room temperature there seems to be no distinguishable feature corresponding to an H‐point transition for the mono- and few-layer MoS{sub 2} films unlike in bulk. These transition energies are slightly larger than those obtained by PL, which is attributed to the Stokes shifts related to doping level. The obtained values of valence-band spin-orbit splitting are in good agreement with those from other experimental methods. By comparing the PR lineshapes, the dominant modulation mechanism is attributed to variations of the exciton transition energies due to change in the built-in electric field. On the strength of this study, PR spectroscopy is demonstrated as a powerful technique for characterizing the near-band-edge transitions of MoS{sub 2} from monolayer to bulk.« less

Understanding How the Presence of Uniform Electric Fields Can Shift the Miscibility of Polystyrene/Poly(vinyl methyl ether) Blends

NASA Astrophysics Data System (ADS)

Kriisa, Annika; Roth, Connie B.

2015-03-01

Techniques which can externally control and manipulate the phase behavior of polymeric systems, without altering chemistry on a molecular level, have great practical benefits. One such possible mechanism is the use of electric fields, shown to cause interfacial instabilities, orientation of morphologies, and phase transitions in polymer blends and block copolymers. We have recently demonstrated that the presence of uniform electric fields can also strongly enhance the miscibility of polystyrene (PS) / poly(vinyl methyl ether) (PVME) blends [J. Chem. Phys. 2014, 141, 134908]. Using fluorescence to measure the phase separation temperature Ts of PS/PVME blends with and without electric fields, we show that Ts can be reproducibly and reversibly increased by 13.5 +/- 1.4 K for electric fields of 17 kV/mm for this lower critical solution temperature (LCST) blend. This increase in blend miscibility with electric fields represents some of the largest absolute shifts in Ts ever recorded, well outside of experimental error. The best theoretical prediction for the expected shift in Ts with electric field for this system is still two orders of magnitude smaller than that observed experimentally. We discuss the limitations of this theoretical prediction and consider possible factors affecting miscibility that may need to be also included.

Sphingosine-1-Phosphate as an Amphipathic Metabolite: Its Properties in Aqueous and Membrane Environments

PubMed Central

García-Pacios, Marcos; Collado, M. Isabel; Busto, Jon V.; Sot, Jesús; Alonso, Alicia; Arrondo, José-Luis R.; Goñi, Félix M.

2009-01-01

Abstract Sphingosine-1-phosphate (S1P) is currently considered to be an important signaling molecule in cell metabolism. We studied a number of relevant biophysical properties of S1P, using mainly Langmuir balance, differential scanning calorimetry, 31P-NMR, and infrared (IR) spectroscopy. We found that, at variance with other, structurally related sphingolipids that are very hydrophobic, S1P may occur in either an aqueous dispersion or a bilayer environment. S1P behaves in aqueous media as a soluble amphiphile, with a critical micelle concentration of ≈12 μM. Micelles give rise to larger aggregates (in the micrometer size range) at and above a 1 mM concentration. The aggregates display a thermotropic transition at ∼60°C, presumably due to the formation of smaller structures at the higher temperatures. S1P can also be studied in mixtures with phospholipids. Studies with dielaidoylphosphatidylethanolamine (DEPE) or deuterated dipalmitoylphosphatidylcholine (DPPC) show that S1P modifies the gel-fluid transition of the glycerophospholipids, shifting it to lower temperatures and decreasing the transition enthalpy. Low (<10 mol %) concentrations of S1P also have a clear effect on the lamellar-to-inverted hexagonal transition of DEPE, i.e., they increase the transition temperature and stabilize the lamellar versus the inverted hexagonal phase. IR spectroscopy of natural S1P mixed with deuterated DPPC allows the independent observation of transitions in each molecule, and demonstrates the existence of molecular interactions between S1P and the phospholipid at the polar headgroup level that lead to increased hydration of the carbonyl group. The combination of calorimetric, IR, and NMR data allowed the construction of a temperature-composition diagram (“partial phase diagram”) to facilitate a comparative study of the properties of S1P and other related lipids (ceramide and sphingosine) in membranes. In conclusion, two important differences between S1P and ceramide are that S1P stabilizes the lipid bilayer structure, and physiologically relevant concentrations of S1P can exist dispersed in the cytosol. PMID:19720028

Laser characteristics at 1535 nm and thermal effects of an Er:Yb phosphate glass microchip pumped by Ti:sapphire laser

NASA Astrophysics Data System (ADS)

Cai, Zhiping; Chardon, Alain; Xu, Huiying; Féron, Patrice; Michel Stéphan, Guy

2002-03-01

An Er:Yb codoped phosphate glass microchip laser has been studied under pumping with a Ti:sapphire laser ranging from 945 to 990 nm. The characteristics (threshold, slope efficiency) are first described for an optimized laser. The gain spectrum is calculated for the transition 4I13/2→ 4I15/2 around 1535 nm from fundamental spectroscopic data and from experimental results. Red-shift effect on the frequency of a single mode is experimentally observed when the pump power is increased, originating from thermal effects. Temperature inside the microchip cavity and thermal expansion coefficient were determined by employing the intensity ratio of two green upconversion emission line centered at 530 and 554 nm, respectively, which quantitatively explain this red shift.

Regime shifts in desert grasslands: patterns, mechanisms, and management

USDA-ARS?s Scientific Manuscript database

Transitions from semiarid grassland to shrubland states are among the most widely recognized examples of regime shifts in terrestrial ecosystems. Nonetheless, the processes causing grassland-shrubland transitions, and their consequences, are incompletely understood. We challenge several misconceptio...

The Effect of Solution Thermal History on Chicken Egg White Lysozyme Nucleation

NASA Technical Reports Server (NTRS)

Burke, Michael W.; Judge, Russell A.; Pusey, Marc L.

2001-01-01

Proteins are highly flexible molecules and often exhibit defined conformational changes in response to changes in the ambient temperature. Chicken egg white lysozyme has been previously shown to undergo an apparent structural change when warmed above the tetragonal/orthorhombic phase transition temperature. This is reflected by a change in the habit of the tetragonal and orthorhombic crystals so formed. In this study, we show that possible conformational changes induced by heating are stable and apparently non-reversible by simple cooling. Exposure of protein solutions to temperatures above the phase change transition temperature, before combining with precipitant solution to begin crystallization, reduces final crystal numbers. Protein that is briefly warmed to 37 C, then cooled shows no sign of reversal to the unheated nucleation behavior even after storage for four weeks at 4 C. The change in nucleation behavior of tetragonal lysozyme crystals, attributed to a structural shift, occurs faster the greater the exposure to temperature above the equi-solubility point for the two phases. Heating for 2 hours at 48 C reduces crystal numbers by 20 fold in comparison to the same solution heated for the same time at 30 C. Thermal treatment of solutions is therefore a possible tool to reduce crystal numbers and increase crystal size. The effects of a protein's previous thermal history are now shown to be a potentially critical factor in subsequent macromolecule crystal nucleation and growth studies.

The Effect of Solution Thermal History on Chicken Egg White Lysozyme Nucleation

NASA Technical Reports Server (NTRS)

Burke, Michael W.; Judge, Russell A.; Pusey, Marc L.; Rose, M. Franklin (Technical Monitor)

2000-01-01

Proteins are highly flexible molecules and often exhibit defined conformational changes in response to changes in the ambient temperature. Chicken egg white lysozyme has been previously shown to undergo an apparent structural change when warmed above the tetragonal/orthorhombic phase transition temperature. This is reflected by a change in the habit of the tetragonal and orthorhombic crystals so formed. In this study we show that possible conformational changes induced by heating are stable and apparently non- reversible by simple cooling. Exposure of protein solutions to temperatures above the phase change transition temperature, before combining with precipitant solution to begin crystallization, reduces final crystal numbers. Protein that is briefly warmed to 37 C, then cooled shows no sign of reversal to the unheated nucleation behavior even after storage for 4 weeks at 4 C. The change in nucleation behavior of tetragonal lysozyme crystals, attributed to a structural shift, occurs faster the greater the exposure to temperature above the equi-solubility point for the two phases. Heating for 2 h at 48 C reduces crystal numbers by 20 fold in comparison to the same solution heated for the same time at 30 C. Thermal treatment of solutions is therefore a possible tool to reduce crystal numbers and increase crystal size. The effects of a protein's previous thermal history are now shown to be a potentially critical factor in subsequent macromolecule crystal nucleation and growth studies.

Magnetic and low temperature phonon studies of CoCr2O4 powders doped with Fe(III) and Ni(II) ions

NASA Astrophysics Data System (ADS)

Ptak, M.; Mączka, M.; Pikul, A.; Tomaszewski, P. E.; Hanuza, J.

2014-04-01

Extensive temperature-dependent phonon studies and low-temperature magnetic measurements of CoCr2-xFexO4 (for x=0.5, 1 and 2) and Co0.9Ni0.1Cr2O4 polycrystalline powders are presented. The main aim of these studies was to obtain information on phonon and structural properties of these compounds as well as strength of spin-phonon coupling in the magnetically ordered phases. IR and Raman spectra show that doping of CoCr2O4 with Fe(III) ions leads to broadening of bands and appearance of new bands due to the formation of inverted spinel structure. In contrast to this behavior, doping with 10 mol% of Ni(II) ions leads to weak increase of band width only. Magnetization measured as a function of temperature and external magnetic field showed that magnetic properties of Co0.9Ni0.1Cr2O4 sample are similar to those reported for pure CoCr2O4, i.e., partial substitution of Ni(II) for Co(II) leads to slight shift of the ferrimagnetic phase transition at TC and spiral spin order transition at TS towards lower values. The change of crystallization preference induced by incorporation of increasing concentration of Fe(III) ions in the spinel lattice causes significant increase of TC and decrease of TS. The latter transition disappears completely for higher concentrations of Fe(III). The performed temperature-dependent IR studies revealed interesting anomalous behavior of phonons below TC for CoCr1.5Fe0.5O4 and Co0.9Ni0.1Cr2O4, which was attributed to spin-phonon coupling.

Modeling the glass transition of amorphous networks for shape-memory behavior

NASA Astrophysics Data System (ADS)

Xiao, Rui; Choi, Jinwoo; Lakhera, Nishant; Yakacki, Christopher M.; Frick, Carl P.; Nguyen, Thao D.

2013-07-01

In this paper, a thermomechanical constitutive model was developed for the time-dependent behaviors of the glass transition of amorphous networks. The model used multiple discrete relaxation processes to describe the distribution of relaxation times for stress relaxation, structural relaxation, and stress-activated viscous flow. A non-equilibrium thermodynamic framework based on the fictive temperature was introduced to demonstrate the thermodynamic consistency of the constitutive theory. Experimental and theoretical methods were developed to determine the parameters describing the distribution of stress and structural relaxation times and the dependence of the relaxation times on temperature, structure, and driving stress. The model was applied to study the effects of deformation temperatures and physical aging on the shape-memory behavior of amorphous networks. The model was able to reproduce important features of the partially constrained recovery response observed in experiments. Specifically, the model demonstrated a strain-recovery overshoot for cases programmed below Tg and subjected to a constant mechanical load. This phenomenon was not observed for materials programmed above Tg. Physical aging, in which the material was annealed for an extended period of time below Tg, shifted the activation of strain recovery to higher temperatures and increased significantly the initial recovery rate. For fixed-strain recovery, the model showed a larger overshoot in the stress response for cases programmed below Tg, which was consistent with previous experimental observations. Altogether, this work demonstrates how an understanding of the time-dependent behaviors of the glass transition can be used to tailor the temperature and deformation history of the shape-memory programming process to achieve more complex shape recovery pathways, faster recovery responses, and larger activation stresses.

Ferroelectric films of deuterated glycine phosphite: Structure and dielectric properties

NASA Astrophysics Data System (ADS)

Balashova, E. V.; Krichevtsov, B. B.; Svinarev, F. B.; Lemanov, V. V.

2013-05-01

Polycrystalline textured films of deuterated glycine phosphite consisting of single-crystal blocks with lateral dimensions ˜(50-100) μm and a thickness d ˜ (1-5) μm have been grown by evaporation on NdGaO3(100) and α-Al2O3 substrates with preliminarily deposited interdigitated electrodes, as well as on Al substrates. The c* ( Z) crystallographic axis in the blocks is normal to the film plane, and the a ( X) axis and the polar axis b ( Y) are oriented in the film plane. The temperature dependences of the capacitance of the structures measured with the interdigitated electrode system reveal a strong dielectric anomaly at the film transition to the ferroelectric state. The phase transition temperature T c depends on the degree of deuteration D of the glycine phosphite. The maximum value T c = 275 K obtained in the structures studied corresponds to a degree of deuteration of the glycine phosphite D ˜ 50%. The frequency behavior of the dielectric hysteresis loops in glycine phosphite films differs radically from that of the previously studied films of deuterated betaine phosphite, which evidences that polarization switching in these structures proceeds by different mechanisms. It has been that application of a dc bias to the electrodes changes the shape of the dielectric hysteresis loops and shifts them along the electric field axis. The shift of the loops depends on the sign, magnitude, and time of application of the bias. Possible mechanisms underlying the induced unipolarity are discussed.

Direct observations of L-I-H and H-I-L transitions with the X-point reciprocating probe in ASDEX Upgrade

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

Müller, S. H.; Conway, G. D.; Birkenmeier, G.

A reciprocating Langmuir probe was used to directly measure the behavior of turbulence and flows in the X-point region during transitions between low-(L) and high-confinement (H) mode in ASDEX Upgrade. The probe traverses the divertor horizontally in 140 ms, typically 2–5 cm below the X-point. Toroidal Mach number, density, floating potential (ϕ{sub f}), and electron temperature (T{sub e}) are measured. In the regime accessible to the probe (P{sub inj}<1.5 MW, line-integrated core density <4×10{sup 19} m{sup −2}), the L-H transition features an intermediate phase (I-phase), characterized by limit-cycle oscillations at 0.5–3 kHz [Conway et al., Phys. Rev. Lett. 106, 065001 (2011)]. The probe measurements revealmore » that this pulsing affects both the density and the toroidal Mach number. It is present in both the low-(LFS) and high-field sides (HFS) of the scrape-off layer, while high-amplitude broadband turbulence usually dominates the private-flux region. Profile comparisons between L-mode and I-phase show lower density in pulsing regions and small shifts in T{sub e}, directed oppositely on LFS and HFS, which are compensated by shifts in ϕ{sub f} to yield a surprisingly unchanged plasma potential profile. Directly observed L-I-phase transitions reveal that the onset of the pulsing is preceded by a fast 50% density drop in the HFS X-point region. Back transitions to L-mode occur essentially symmetrically, with the pulsing stopping first, followed by a fast recovery to L-mode density levels in the divertor.« less

The fast-folding HP35 double mutant has a substantially reduced primary folding free energy barrier

NASA Astrophysics Data System (ADS)

Lei, Hongxing; Deng, Xiaojian; Wang, Zhixiang; Duan, Yong

2008-10-01

The LYS24/29NLE double mutant of villin headpiece subdomain (HP35) is the fastest folding protein known so far with a folding time constant of 0.6μs. In this work, the folding mechanism of the mutant has been investigated by both conventional and replica exchange molecular dynamics (CMD and REMD) simulations with AMBER FF03 force field and a generalized-Born solvation model. Direct comparison to the ab initio folding of the wild type HP35 enabled a close examination on the mutational effect on the folding process. The mutant folded to the native state, as demonstrated by the 0.50Å Cα-root mean square deviation (RMSD) sampled in both CMD and REMD simulations and the high population of the folded conformation compared with the denatured conformations. Consistent with experiments, the significantly reduced primary folding free energy barrier makes the mutant closer to a downhill folder than the wild type HP35 that directly leads to the faster transition and higher melting temperature. However, unlike the proposed downhill folding which envisages a smooth shift between unfolded and folded states without transition barrier, we observed a well-defined folding transition that was consistent with experiments. Further examination of the secondary structures revealed that the two mutated residues have higher intrinsic helical preference that facilitated the formation of both helix III and the intermediate state which contains the folded segment helix II/III. Other factors contributing to the faster folding include the more favorable electrostatic interactions in the transition state with the removal of the charged NH3+ groups from LYS. In addition, both transition state ensemble and denatured state ensemble are shifted in the mutant.

Role of aerosil dispersion on the activated kinetics of the LC1-xSilx system.

PubMed

Sharma, Dipti; MacDonald, John C; Iannacchione, Germano S

2006-12-28

This study explores the role of aerosil dispersion on activated phase transitions of bulk octylcyanobiphenyl (8CB) liquid crystals by performing heating rate-dependent experiments. Differential scanning calorimetry (DSC) was used at various heating ramp rates in order to probe the activated phase dynamics of the system. The system, LC1-xSilx, was prepared by mixing aerosil nanoparticles (7 nm in diameter) in the bulk 8CB by the solvent dispersion method (SDM). LC represents bulk 8CB, and Sil represents aerosil nanoparticles with concentration x in percent. The concentration of the aerosil nanoparticles (x) varied from 0 to 0.2 g/cm3 in the bulk 8CB. Well-defined, endothermic peaks were found on a heating scan at melting and at the smectic-A to nematic (SmA-N) and nematic to isotropic (N-I) transitions. These peaks show a temperature shift and a change in their shapes and sizes in the presence of aerosil nanoparticles. In addition, an exothermic peak also appeared before the melting peak during the heating scan in the presence of aerosil nanoparticles. All transitions shifted significantly with different heating ramp rates, following an Arrhenius behavior, showing activated kinetics. The presence of aerosil nanoparticles caused a significant increase in the enthalpy and a decrease in the activation energy compared to the results found in bulk 8CB. This behavior can be explained by aerosil dispersion in the LC1-xSilx, inducing a disorder in the bulk 8CB. Infrared (IR) spectroscopy shows a shift to higher frequency for the broad peak at 1082 cm-1, corresponding to an Si-O bond as the density of the aerosil increases, and can be explained in terms of surface and molecular interactions between aerosil nanoparticles and 8CB liquid crystal molecules.

Tympanal spontaneous oscillations reveal mechanisms for the control of amplified frequency in tree crickets

NASA Astrophysics Data System (ADS)

Mhatre, Natasha; Robert, Daniel

2018-05-01

Tree cricket hearing shows all the features of an actively amplified auditory system, particularly spontaneous oscillations (SOs) of the tympanal membrane. As expected from an actively amplified auditory system, SO frequency and the peak frequency in evoked responses as observed in sensitivity spectra are correlated. Sensitivity spectra also show compressive non-linearity at this frequency, i.e. a reduction in peak height and sharpness with increasing stimulus amplitude. Both SO and amplified frequency also change with ambient temperature, allowing the auditory system to maintain a filter that is matched to song frequency. In tree crickets, remarkably, song frequency varies with ambient temperature. Interestingly, active amplification has been reported to be switched ON and OFF. The mechanism of this switch is as yet unknown. In order to gain insights into this switch, we recorded and analysed SOs as the auditory system transitioned from the passive (OFF) state to the active (ON) state. We found that while SO amplitude did not follow a fixed pattern, SO frequency changed during the ON-OFF transition. SOs were first detected above noise levels at low frequencies, sometimes well below the known song frequency range (0.5-1 kHz lower). SO frequency was observed to increase over the next ˜30 minutes, in the absence of any ambient temperature change, before settling at a frequency within the range of conspecific song. We examine the frequency shift in SO spectra with temperature and during the ON/OFF transition and discuss the mechanistic implications. To our knowledge, such modulation of active auditory amplification, and its dynamics are unique amongst auditory animals.

Catalogue of abrupt shifts in Intergovernmental Panel on Climate Change climate models

NASA Astrophysics Data System (ADS)

Drijfhout, Sybren; Bathiany, Sebastian; Beaulieu, Claudie; Brovkin, Victor; Claussen, Martin; Huntingford, Chris; Scheffer, Marten; Sgubin, Giovanni; Swingedouw, Didier

2015-10-01

Abrupt transitions of regional climate in response to the gradual rise in atmospheric greenhouse gas concentrations are notoriously difficult to foresee. However, such events could be particularly challenging in view of the capacity required for society and ecosystems to adapt to them. We present, to our knowledge, the first systematic screening of the massive climate model ensemble informing the recent Intergovernmental Panel on Climate Change report, and reveal evidence of 37 forced regional abrupt changes in the ocean, sea ice, snow cover, permafrost, and terrestrial biosphere that arise after a certain global temperature increase. Eighteen out of 37 events occur for global warming levels of less than 2°, a threshold sometimes presented as a safe limit. Although most models predict one or more such events, any specific occurrence typically appears in only a few models. We find no compelling evidence for a general relation between the overall number of abrupt shifts and the level of global warming. However, we do note that abrupt changes in ocean circulation occur more often for moderate warming (less than 2°), whereas over land they occur more often for warming larger than 2°. Using a basic proportion test, however, we find that the number of abrupt shifts identified in Representative Concentration Pathway (RCP) 8.5 scenarios is significantly larger than in other scenarios of lower radiative forcing. This suggests the potential for a gradual trend of destabilization of the climate with respect to such shifts, due to increasing global mean temperature change.

Catalogue of abrupt shifts in Intergovernmental Panel on Climate Change climate models.

PubMed

Drijfhout, Sybren; Bathiany, Sebastian; Beaulieu, Claudie; Brovkin, Victor; Claussen, Martin; Huntingford, Chris; Scheffer, Marten; Sgubin, Giovanni; Swingedouw, Didier

2015-10-27

Abrupt transitions of regional climate in response to the gradual rise in atmospheric greenhouse gas concentrations are notoriously difficult to foresee. However, such events could be particularly challenging in view of the capacity required for society and ecosystems to adapt to them. We present, to our knowledge, the first systematic screening of the massive climate model ensemble informing the recent Intergovernmental Panel on Climate Change report, and reveal evidence of 37 forced regional abrupt changes in the ocean, sea ice, snow cover, permafrost, and terrestrial biosphere that arise after a certain global temperature increase. Eighteen out of 37 events occur for global warming levels of less than 2°, a threshold sometimes presented as a safe limit. Although most models predict one or more such events, any specific occurrence typically appears in only a few models. We find no compelling evidence for a general relation between the overall number of abrupt shifts and the level of global warming. However, we do note that abrupt changes in ocean circulation occur more often for moderate warming (less than 2°), whereas over land they occur more often for warming larger than 2°. Using a basic proportion test, however, we find that the number of abrupt shifts identified in Representative Concentration Pathway (RCP) 8.5 scenarios is significantly larger than in other scenarios of lower radiative forcing. This suggests the potential for a gradual trend of destabilization of the climate with respect to such shifts, due to increasing global mean temperature change.

Sleep Detriments Associated With Quick Returns in Rotating Shift Work: A Diary Study.

PubMed

Vedaa, Øystein; Mørland, Erik; Larsen, Marit; Harris, Anette; Erevik, Eilin; Sivertsen, Børge; Bjorvatn, Bjørn; Waage, Siri; Pallesen, Ståle

2017-06-01

We aimed to compared sleep characteristics associated with quick returns (QRs, <11 hours between shift intervals) with those associated with other common shift transitions. Sixty-seven nurses completed a 2-week work and sleep diary (94.0% female, mean age 47.7 years). A multilevel fixed effects model was used to examine the sleep in QRs compared with two consecutive night shifts, two consecutive evening shifts, and two consecutive day shifts, respectively. None of the other shift transitions studied encumbered as many detriments as QRs, which included short sleep duration (5.6 hours), slightly prolonged sleep onset latency, more abrupt ending of main sleep period, increased sleepiness, and higher level of perceived stress on the following shift. The study emphasizes the need for sufficient time for rest and recuperation between shifts.

Climatic variability during the last deglaciation: A stalagmite-based multi-proxy record from Mawmluh cave, India

NASA Astrophysics Data System (ADS)

Huguet, C.; Munnuru Singamshetty, K.; Routh, J.; Fietz, S.; Mangini, A.; Ghosh, P.; Lone, M. A.; Rangarajan, R.; Eliasson, J.

2016-12-01

The Mawmluh cave in northeastern India, is affected by global climate patterns displaying glacial-interglacial patterns and also the Indian Summer Monsoon (ISM). Precipitation from the ISM plays a vital role for the local community and thus, understanding the driving forces of ISM fluctuations became a recent focus of a number of paleoclimate studies. Here, we used the stalagmite KM-1 from Mawmluh cave to reconstruct climate variability during the last glacial-interglacial transition from 22 to 6 ka. For the first time, molecular proxy data (TEX86 and MBT/CBT derived from isoprenoid and branched GDGTs respectively) were coupled to stable isotope records (δ13C and δ18O) and compared to other speleothem records in Asia. ISM system abruptly transition between a suppressed and active state which is associated to changes in vegetation and thus shifts in δ13C. The abrupt δ13C shift observed in our record indicate changes to wetter climate in the Holocene, which are coupled to increase in abundance of GDGTs indicating higher production and/or transfer to KM-1. The TEX86-derived temperature roughly follows the glaciation-deglaciation cycle and Holocene changes. The TEX86 results show good correspondence with the δ18O records for temperature highlighting the potential for the use of molecular proxy in speleothem based climate reconstructions. While the MBT/CBT proxy is also defined as a temperature proxy it is not coupled with δ18O patterns, and thus shows no clear temperature signal. A decoupling between MBT/CBT from soils and the connected speleothems as well as a precipitation-moisture effect on this proxy have been previously reported. In this particular case the MBT/CBT seems to be better related to precipitation-monsoon changes, and thus warrant further exploration as a complementary proxy to isotope records for monsoon strength.

Insights on the Spectral Signatures of Stellar Activity and Planets from PCA

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

Davis, Allen B.; Fischer, Debra A.; Cisewski, Jessi

Photospheric velocities and stellar activity features such as spots and faculae produce measurable radial velocity signals that currently obscure the detection of sub-meter-per-second planetary signals. However, photospheric velocities are imprinted differently in a high-resolution spectrum than are Keplerian Doppler shifts. Photospheric activity produces subtle differences in the shapes of absorption lines due to differences in how temperature or pressure affects the atomic transitions. In contrast, Keplerian Doppler shifts affect every spectral line in the same way. With a high enough signal-to-noise (S/N) and resolution, statistical techniques can exploit differences in spectra to disentangle the photospheric velocities and detect lower-amplitude exoplanetmore » signals. We use simulated disk-integrated time-series spectra and principal component analysis (PCA) to show that photospheric signals introduce spectral line variability that is distinct from that of Doppler shifts. We quantify the impact of instrumental resolution and S/N for this work.« less

Spectral Line Parameters Including Temperature Dependences of Self- and Air-Broadening in the 2 (left arrow) 0 Band of CO at 2.3 micrometers

NASA Technical Reports Server (NTRS)

Devi, V. Malathy; Benner, D. Chris; Smith, M. A. H.; Mantz, A. W.; Sung, K.; Brown, L. R.; Predoi-Cross, A.

2012-01-01

Temperature dependences of pressure-broadened half-width and pressure-induced shift coefficients along with accurate positions and intensities have been determined for transitions in the 2<--0 band of C-12 O-16 from analyzing high-resolution and high signal-to-noise spectra recorded with two different Fourier transform spectrometers. A total of 28 spectra, 16 self-broadened and 12 air-broadened, recorded using high- purity (greater than or equal to 99.5% C-12-enriched) CO samples and CO diluted with dry air(research grade) at different temperatures and pressures, were analyzed simultaneously to maximize the accuracy of the retrieved parameters. The sample temperatures ranged from 150 to 298K and the total pressures varied between 5 and 700 Torr. A multispectrum nonlinear least squares spectrum fitting technique was used to adjust the rovibrational constants (G, B, D, etc.) and intensity parameters (including Herman-Wallis coefficients), rather than determining individual line positions and intensities. Self-and air-broadened Lorentz half-width coefficients, their temperature dependence exponents, self- and air-pressure-induced shift coefficients, their temperature dependences, self- and air-line mixing coefficients, their temperature dependences and speed dependence have been retrieved from the analysis. Speed-dependent line shapes with line mixing employing off-diagonal relaxation matrix element formalism were needed to minimize the fit residuals. This study presents a precise and complete set of spectral line parameters that consistently reproduce the spectrum of carbon monoxide over terrestrial atmospheric conditions.

Aging phenomena in poly(methyl methacrylate) thin films: Memory and rejuvenation effects

NASA Astrophysics Data System (ADS)

Fukao, K.; Sakamoto, A.

2005-04-01

The aging dynamics in thin films of poly(methyl methacrylate) (PMMA) have been investigated through dielectric measurements for different types of aging processes. The dielectric constant was found to decrease with increasing aging time at an aging temperature in many cases. An increase in the dielectric constant was also observed in the long-time region (⩾11h) near the glass transition temperature for thin films with thickness less than 26nm . In the constant-rate mode including a temporary stop at a temperature Ta , the memory of the aging at Ta was found to be kept and then to be recalled during the subsequent heating process. In the negative-temperature cycling process, a strong rejuvenation effect has been observed after a temperature shift from the initial temperature T1 to the second temperature T2 (=T1+ΔT) when ΔT≈-20K . Furthermore, a full memory effect has also been observed for the temperature shift from T2 to T1 . This suggests that the aging at T1 is totally independent of that at T2 for ΔT≈-20K . As ∣ΔT∣ decreases, the independence of the aging between the two temperatures was found to be weakened—i.e., the effective time, which is a measure of the contribution of the aging at T1 to that at T2 , is a decreasing function of ∣ΔT∣ in the negative region of ΔT . As the film thickness decreases from 514nmto26nm , the ∣ΔT∣ dependence of the effective time was found to become much stronger. The contribution of the aging at T2 to that at T1 disappears more rapidly with increasing ∣ΔT∣ in thin-film geometry than in the bulk state.

Physical properties of ionic liquids consisting of the 1-butyl-3-methylimidazolium cation with various anions and the bis(trifluoromethylsulfonyl)imide anion with various cations.

PubMed

Jin, Hui; O'Hare, Bernie; Dong, Jing; Arzhantsev, Sergei; Baker, Gary A; Wishart, James F; Benesi, Alan J; Maroncelli, Mark

2008-01-10

Physical properties of 4 room-temperature ionic liquids consisting of the 1-butyl-3-methylimidazolium cation with various perfluorinated anions and the bis(trifluoromethylsulfonyl)imide (Tf2N-) anion with 12 pyrrolidinium-, ammonium-, and hydroxyl-containing cations are reported. Electronic structure methods are used to calculate properties related to the size, shape, and dipole moment of individual ions. Experimental measurements of phase-transition temperatures, densities, refractive indices, surface tensions, solvatochromic polarities based on absorption of Nile Red, 19F chemical shifts of the Tf2N- anion, temperature-dependent viscosities, conductivities, and cation diffusion coefficients are reported. Correlations among the measured quantities as well as the use of surface tension and molar volume for estimating Hildebrand solubility parameters of ionic liquids are also discussed.

Prediction of supercritical ethane bulk solvent densities for pyrazine solvation shell average occupancy by 1, 2, 3, and 4 ethanes: combined experimental and ab initio approach.

PubMed

Hrnjez, Bruce J; Sultan, Samuel T; Natanov, Georgiy R; Kastner, David B; Rosman, Michael R

2005-11-17

We introduce a method that addresses the elusive local density at the solute in the highly compressible regime of a supercritical fluid. Experimentally, the red shift of the pyrazine n-pi electronic transition was measured at infinite dilution in supercritical ethane as a function of pressure from 0 to about 3000 psia at two temperatures, one close (35.0 degrees C) to the critical temperature and the other remote (55.0 degrees C). Computationally, stationary points were located on the potential surfaces for pyrazine and one, two, three, and four ethanes at the MP2/6-311++G(d,p) level. The vertical n-pi ((1)B(3u)) transition energies were computed for each of these geometries with a TDDFT/B3LYP/6-311++G(d,p) method. The combination of experiment and computation allows prediction of supercritical ethane bulk densities at which the pyrazine primary solvation shell contains an average of one, two, three, and four ethane molecules. These density predictions were achieved by graphical superposition of calculated shifts on the experimental shift versus density curves for 35.0 and 55.0 degrees C. Predicted densities are 0.0635, 0.0875, and 0.0915 g cm(-3) for average pyrazine primary solvation shell occupancy by one, two, and three ethanes at both 35.0 and 55.0 degrees C. Predicted densities are 0.129 and 0.150 g cm(-3) for occupancy by four ethanes at 35.0 and 55.0 degrees C, respectively. An alternative approach, designed to "average out" geometry specific shifts, is based on the relationship Deltanu = -23.9n cm(-1), where n = ethane number. Graphical treatment gives alternative predicted densities of 0.0490, 0.0844, and 0.120 g cm(-3) for average pyrazine primary solvation shell occupancy by one, two, and three ethanes at both 35.0 and 55.0 degrees C, and densities of 0.148 and 0.174 g cm(-3) for occupancy by four ethanes at 35.0 and 55.0 degrees C, respectively.

Dramatic change of photoexcited quasiparticle relaxation dynamics across Yb valence state transition in YbInCu4

NASA Astrophysics Data System (ADS)

Zhang, M. Y.; Chen, R. Y.; Dong, T.; Wang, N. L.

2017-04-01

YbInCu4 undergoes a first-order structural phase transition near Tv=40 K associated with an abrupt change of Yb valence state. We perform an ultrafast pump-probe measurement on YbInCu4 and find that the expected heavy-fermion properties arising from the c -f hybridization exist only in a limited temperature range above Tv. Below Tv, the compound behaves as a normal metal though a prominent hybridization energy gap is still present in the infrared measurement. We elaborate that those seemingly controversial phenomena could be well explained by assuming that the Fermi level suddenly shifts up and moves away from the flat f -electron band as well as the indirect hybridization energy gap in the intermediate valence state below Tv.

Calorimetric low temperature detectors for high resolution x-ray spectroscopy on stored highly stripped heavy ions

NASA Astrophysics Data System (ADS)

Bleile, A.; Egelhof, P.; Kluge, H.-J.; Liebisch, U.; Mc Cammon, D.; Meier, H. J.; Sebastián, O.; Stahle, C. K.; Stöhlker, T.; Weber, M.

2000-06-01

The precise determination of the Lamb shift in heavy hydrogen-like ions provides a sensitive test of QED in very strong Coulomb fields, not accessible otherwise, and has also the potential to deduce nuclear charge radii. A brief overview on the present status of such experiments, performed at the storage ring ESR at GSI Darmstadt, is given. For the investigation of the Lyman-α transitions in Au78+- or U91+- ions with improved accuracy a high resolving calorimetric low temperature detector for hard x-rays (E⩽100 keV) is presently developed. The detector modules consist of arrays of silicon thermistors and of x-ray absorbers made of high Z material to optimize the absorption efficiency. The detectors are housed in a specially designed 3He/4He dilution refrigerator which fits to the geometry of the ESR target. The detector performance presently achieved is already close to fulfill the demands of the Lamb shift experiment. For a prototype detector an energy resolution of ΔEFWHM=75 eV is obtained for 60 keV x-rays.

AC/DC electrical conduction and dielectric properties of PMMA/PVAc/C60 down-shifting nanocomposite films

NASA Astrophysics Data System (ADS)

El-Bashir, S. M.; Alwadai, N. M.; AlZayed, N.

2018-02-01

Polymer nanocomposite films were prepared by doping fullerene C60 in polymer blend composed of polymethacrylate/polyvinyl acetate blends (PMMA/PVAc) using solution cast technique. The films were characterized by differential scanning calorimeter (DSC), Transmission electron microscope (TEM), DC/AC electrical conductivity and dielectric measurements in the frequency range (100 Hz- 1 MHz). The glass transition temperature, Tg, was increased by increasing the concentration of fullerene C60; this property reflects the increase of thermal stability by increasing the nanofiller content. The DC and AC electrical conductivities were enhanced by increasing C60 concentration due to the electron hopping or tunneling between filled and empty localized states above Tg. The relaxation time was determined from the αβ -relaxations and found to be attenuated by increasing the temperature as a typical behavior of amorphous polymers. The calculated values of thermodynamic parameters revealed the increase of molecular stability by increasing the doping concentration; this feature supports the application of PMMA/PVAc/C60 nanocomposite films in a wide scale of solar energy conversion applications such as luminescent down-shifting (LDS) coatings for photovoltaic cells.

Magnetism and superconductivity in Sr2VFeAsO3 revealed by 75As- and 51V-NMR under elevated pressures

NASA Astrophysics Data System (ADS)

Ueshima, Keiji; Han, Fei; Zhu, Xiyu; Wen, Hai-Hu; Kawasaki, Shinji; Zheng, Guo-qing

2014-05-01

We report 75As and 51V nuclear magnetic resonance (NMR) measurements on the iron-based superconductor Sr2VFeAsO3 with alternating stacks structure. We find that the 75As nuclear spin-spin relaxation rate (1/T2) shows a pronounced peak at TN = 165 K, below which the resonance peak shifts to a higher frequency due to the onset of an internal magnetic field. The 51V spectrum does not shift, but is broadened below TN. We conclude that the Fe electrons order antiferromagnetically below TN with a magnetic moment mFe ˜ 0.4 μB. Application of external pressure up to 2.4 GPa reduces TN at a rate of -40 K/GPa, and enhances the superconducting transition temperature Tc at a rate of 2 K/GPa. The pressure-temperature phase diagram for Sr2VFeAsO3 shows that superconductivity coexists with antiferromagnetism over a wide pressure range with an unprecedented high Tc up to 36.5 K.

Temperature Dependence of Wavelength Selectable Zero-Phonon Emission from Single Defects in Hexagonal Boron Nitride.

PubMed

Jungwirth, Nicholas R; Calderon, Brian; Ji, Yanxin; Spencer, Michael G; Flatté, Michael E; Fuchs, Gregory D

2016-10-12

We investigate the distribution and temperature-dependent optical properties of sharp, zero-phonon emission from defect-based single photon sources in multilayer hexagonal boron nitride (h-BN) flakes. We observe sharp emission lines from optically active defects distributed across an energy range that exceeds 500 meV. Spectrally resolved photon-correlation measurements verify single photon emission, even when multiple emission lines are simultaneously excited within the same h-BN flake. We also present a detailed study of the temperature-dependent line width, spectral energy shift, and intensity for two different zero-phonon lines centered at 575 and 682 nm, which reveals a nearly identical temperature dependence despite a large difference in transition energy. Our temperature-dependent results are well described by a lattice vibration model that considers piezoelectric coupling to in-plane phonons. Finally, polarization spectroscopy measurements suggest that whereas the 575 nm emission line is directly excited by 532 nm excitation, the 682 nm line is excited indirectly.

Glassy dynamics of sorbitol solutions at terahertz frequencies.

PubMed

Sibik, Juraj; Shalaev, Evgenyi Y; Zeitler, J Axel

2013-07-28

The absorption spectra of D-sorbitol and a range of its concentrated aqueous solutions were studied by terahertz spectroscopy over the temperature interval of 80 K < T < 310 K. It is shown that the slow-down of molecules at around the glass transition temperature, Tg, dramatically influences the thermal dependence of the absorption at terahertz frequencies. Furthermore, two different absorption regimes are revealed below Tg: at temperatures well below Tg, the absorption resembles the coupling of terahertz radiation to the vibrational density of states (VDOS); above these temperatures, between 160 K and Tg, in the sample of pure sorbitol and the sample of a solution of 70 wt% sorbitol in water, another type of absorption is observed at terahertz frequencies. Several possibilities of the physical origin of this absorption are discussed and based on the experimental data this process is tentatively assigned to the Johari-Goldstein β-relaxation processes shifting to lower frequencies at temperatures below Tg leaving behind a spectrum largely dominated by losses into the VDOS.

57Fe Mössbauer study of Lu 2Fe 3Si 5 iron silicide superconductor

DOE PAGES

Ma, Xiaoming; Ran, Sheng; Pang, Hua; ...

2015-03-28

With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of 57Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. The iron-based superconductor Lu 2Fe 3Si 5 has been studied by 57Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (T c=6.1 K). Consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. Furthermore, the value of Debye temperaturemore » was estimated from temperature dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. Neither abnormal behavior of the hyperfine parameters at or near T c, nor phonon softening were observed.« less

Heat-induced reorganization of the structure of photosystem II membranes: role of oxygen evolving complex.

PubMed

Busheva, Mira; Tzonova, Iren; Stoitchkova, Katerina; Andreeva, Atanaska

2012-12-05

The sensitivity of the green plants' photosystem II (PSII) to high temperatures is investigated in PSII enriched membranes and in membranes, from which the oxygen evolving complex is removed. Using steady-state 77 K fluorescence and resonance Raman spectroscopy we analyze the interdependency between the temperature-driven changes in structure and energy distribution in the PSII supercomplex. The results show that the heat treatment induces different reduction of the 77 K fluorescence emission in both types of investigated membranes: (i) an additional considerable decrease of the overall fluorescence emission in Tris-washed membranes as compared to the native membranes; (ii) a transition point at 42°C(,) observed only in native membranes; (iii) a sharp reduction of the PSII core fluorescence in Tris-washed membranes at temperatures higher than 50°C; (iv) a 3 nm red-shift of F700 band's maximum in Tris-washed membranes already at 20°C and its further shift by 1 nm at temperature increase. Both treatments intensified their action by increasing the aggregation and dissociation of the peripheral light harvesting complexes. The oxygen-evolving complex, in addition to its main function to produce O(2), increases the thermal stability of PSII core by strengthening the connection between the core and the peripheral antenna proteins and by keeping their structural integrity. Copyright © 2012 Elsevier B.V. All rights reserved.

Enhanced superconducting transition temperature in hyper-interlayer-expanded FeSe despite the suppressed electronic nematic order and spin fluctuations

NASA Astrophysics Data System (ADS)

Hrovat, Matevž Majcen; Jeglič, Peter; Klanjšek, Martin; Hatakeda, Takehiro; Noji, Takashi; Tanabe, Yoichi; Urata, Takahiro; Huynh, Khuong K.; Koike, Yoji; Tanigaki, Katsumi; Arčon, Denis

2015-09-01

The superconducting critical temperature, Tc, of FeSe can be dramatically enhanced by intercalation of a molecular spacer layer. Here we report on a 77Se,7Li , and 1H nuclear magnetic resonance (NMR) study of the powdered hyper-interlayer-expanded Lix(C2H8N2) yFe2 -zSe2 with a nearly optimal Tc=45 K. The absence of any shift in the 7Li and 1H NMR spectra indicates a complete decoupling of interlayer units from the conduction electrons in FeSe layers, whereas nearly temperature-independent 7Li and 1H spin-lattice relaxation rates are consistent with the non-negligible concentration of Fe impurities present in the insulating interlayer space. On the other hand, the strong temperature dependence of 77Se NMR shift and spin-lattice relaxation rate, 1 /77T1 , is attributed to the holelike bands close to the Fermi energy. 1 /77T1 shows no additional anisotropy that would account for the onset of electronic nematic order down to Tc. Similarly, no enhancement in 1 /77T1 due to the spin fluctuations could be found in the normal state. Yet, a characteristic power-law dependence 1 /77T1∝T4.5 still complies with the Cooper pairing mediated by spin fluctuations.

Electronic phase diagram of disordered Co doped BaFe2As2-δ

NASA Astrophysics Data System (ADS)

Kurth, F.; Iida, K.; Trommler, S.; Hänisch, J.; Nenkov, K.; Engelmann, J.; Oswald, S.; Werner, J.; Schultz, L.; Holzapfel, B.; Haindl, S.

2013-02-01

Superconducting and normal state transport properties in iron pnictides are sensitive to disorder and impurity scattering. By investigation of Ba(Fe1-xCox)2As2-δ thin films with varying Co concentrations we demonstrate that in the dirty limit the superconducting dome in the electronic phase diagram of Ba(Fe1-xCox)2As2-δ shifts towards lower doping concentrations, which differs significantly from observations in single crystals. We show that especially in the underdoped regime superconducting transition temperatures higher than 27 K are possible.

Proton Conductivity in Phosphoric Acid: The Role of Quantum Effects

DOE PAGES

Heres, M.; Wang, Y.; Griffin, P. J.; ...

2016-10-07

Phosphoric acid has one of the highest intrinsic proton conductivities of any known liquids, and the mechanism of this exceptional conductivity remains a puzzle. In our detailed experimental studies we discovered a strong isotope effect in the conductivity of phosphoric acids caused by (i) a strong isotope shift of the glass transition temperature and (ii) a significant reduction of the energy barrier by zero-point quantum fluctuations. Our results suggest that the high conductivity in phosphoric acids is caused by a very efficient proton transfer mechanism, which is strongly assisted by quantum effects.

The effect of silver on the optical, spectral-luminescent, and crystallization properties of bromide photo-thermo-refractive glasses

NASA Astrophysics Data System (ADS)

Oreshkina, K. V.; Dubrovin, V. D.; Ignat'ev, A. I.; Nikonorov, N. V.

2017-10-01

The effect of silver on the optical, spectral-luminescent, and crystallization properties of bromide photo-thermo-refractive glasses is studied. Multicomponent photosensitive glasses of the Na2O-ZnO-Al2O3-SiO2 system with photosensitizing agents (cerium, antimony, silver) and halogenides (fluorine and bromine) are synthesized. Ultraviolet irradiation and thermal treatment below the glass-transition temperature of the glasses cause the formation of silver molecular clusters, which exhibit luminescence in the visible and infrared regions. UV irradiation and thermal treatment of glasses above the glass-transition temperature lead to the growth of silver nanoparticles with plasmon resonance peak in the region of 420 nm. Further thermal treatment of glasses above the glass-transition temperature shifts the plasmon-resonance maximum by 70 nm to longer wavelengths, which is related to the growth of a crystalline shell consisting of mixed silver and sodium bromides on nanoparticles. This formation of a crystalline phase on colloidal centers results in a local increase in the refractive index of the irradiated region by +Δ n 900 ppm compared to the nonirradiated region. Photo-thermo-refractive glasses with increased silver concentration are promising photosensitive materials for creating holographic optical elements and devices for line narrowing and stabilizing filters, spectral beam combiners, and filters for increasing the spectral brightness of laser diodes. A positive change in the refractive index of Photo-thermo-refractive glasses provides the possibility of recording in them 3D waveguide and integrated-optical structures.

Delayed response to cold stress is characterized by successive metabolic shifts culminating in apple fruit peel necrosis.

PubMed

Gapper, Nigel E; Hertog, Maarten L A T M; Lee, Jinwook; Buchanan, David A; Leisso, Rachel S; Fei, Zhangjun; Qu, Guiqin; Giovannoni, James J; Johnston, Jason W; Schaffer, Robert J; Nicolaï, Bart M; Mattheis, James P; Watkins, Christopher B; Rudell, David R

2017-04-21

Superficial scald is a physiological disorder of apple fruit characterized by sunken, necrotic lesions appearing after prolonged cold storage, although initial injury occurs much earlier in the storage period. To determine the degree to which the transition to cell death is an active process and specific metabolism involved, untargeted metabolic and transcriptomic profiling was used to follow metabolism of peel tissue over 180 d of cold storage. The metabolome and transcriptome of peel destined to develop scald began to diverge from peel where scald was controlled using antioxidant (diphenylamine; DPA) or rendered insensitive to ethylene using 1-methylcyclopropene (1-MCP) beginning between 30 and 60 days of storage. Overall metabolic and transcriptomic shifts, representing multiple pathways and processes, occurred alongside α-farnesene oxidation and, later, methanol production alongside symptom development. Results indicate this form of peel necrosis is a product of an active metabolic transition involving multiple pathways triggered by chilling temperatures at cold storage inception rather than physical injury. Among multiple other pathways, enhanced methanol and methyl ester levels alongside upregulated pectin methylesterases are unique to peel that is developing scald symptoms similar to injury resulting from mechanical stress and herbivory in other plants.

Magnesium acceptor in gallium nitride. I. Photoluminescence from Mg-doped GaN

NASA Astrophysics Data System (ADS)

Reshchikov, M. A.; Ghimire, P.; Demchenko, D. O.

2018-05-01

Defect-related photoluminescence (PL) is analyzed in detail for n -type, p -type, and semi-insulating Mg-doped GaN grown by different techniques. The ultraviolet luminescence (UVL) band is the dominant PL band in conductive n -type and p -type GaN:Mg samples grown by hydride vapor phase epitaxy (HVPE) and molecular beam epitaxy. The UVL band in undoped and Mg-doped GaN samples is attributed to the shallow M gGa acceptor with the ionization energy of 223 meV. In semi-insulating GaN:Mg samples, very large shifts of the UVL band (up to 0.6 eV) are observed with variation of temperature or excitation intensity. The shifts are attributed to diagonal transitions, likely due to potential fluctuations or near-surface band bending. The blue luminescence (B LMg ) band is observed only in GaN:Mg samples grown by HVPE or metalorganic chemical vapor deposition when the concentration of Mg exceeds 1019c m-3 . The B LMg band is attributed to electron transitions from an unknown deep donor to the shallow M gGa acceptor. Basic properties of the observed PL are explained with a phenomenological model.

Low-to-High Confinement Transition Mediated by Turbulence Radial Wave Number Spectral Shift in a Fusion Plasma.

PubMed

Xu, G S; Wan, B N; Wang, H Q; Guo, H Y; Naulin, V; Rasmussen, J Juul; Nielsen, A H; Wu, X Q; Yan, N; Chen, L; Shao, L M; Chen, R; Wang, L; Zhang, W

2016-03-04

A new model for the low-to-high (L-H) confinement transition has been developed based on a new paradigm for turbulence suppression by velocity shear [G. M. Staebler et al., Phys. Rev. Lett. 110, 055003 (2013)]. The model indicates that the L-H transition can be mediated by a shift in the radial wave number spectrum of turbulence, as evidenced here, for the first time, by the direct observation of a turbulence radial wave number spectral shift and turbulence structure tilting prior to the L-H transition at tokamak edge by direct probing. This new mechanism does not require a pretransition overshoot in the turbulent Reynolds stress, shunting turbulence energy to zonal flows for turbulence suppression as demonstrated in the experiment.

Inter-decadal change of the lagged inter-annual relationship between local sea surface temperature and tropical cyclone activity over the western North Pacific

NASA Astrophysics Data System (ADS)

Zhao, Haikun; Wu, Liguang; Raga, G. B.

2018-02-01

This study documents the inter-decadal change of the lagged inter-annual relationship between the TC frequency (TCF) and the local sea surface temperature (SST) in the western North Pacific (WNP) during 1979-2014. An abrupt shift of the lagged relationship between them is observed to occur in 1998. Before the shift (1979-1997), a moderately positive correlation (0.35) between previous-year local SST and TCF is found, while a significantly negative correlation (- 0.71) is found since the shift (1998-2014). The inter-decadal change of the lagged relationship between TCF and local SST over the WNP is also accompanied by an inter-decadal change in the lagged inter-annual relationship between large-scale factors affecting TCs and local SST over the WNP. During 1998-2014, the previous-year local SST shows a significant negative correlation with the mid-level moisture and a significant positive correlation with the vertical wind shear over the main development region of WNP TC genesis. Almost opposite relationships are seen during 1979-1997, with a smaller magnitude of the correlation coefficients. These changes are consistent with the changes of the lagged inter-annual relationship between upper- and lower-level winds and local SST over the WNP. Analyses further suggests that the inter-decadal shift of the lagged inter-annual relationship between WNP TCF and local SST may be closely linked to the inter-decadal change of inter-annual SST transition over the tropical central-eastern Pacific associated with the climate regime shift in the late 1990s. Details on the underlying physical process need further investigation using observations and simulations.

SUMER: Solar Ultraviolet Measurements of Emitted Radiation

NASA Technical Reports Server (NTRS)

Wilhelm, K.; Axford, W. I.; Curdt, W.; Gabriel, A. H.; Grewing, M.; Huber, M. C. E.; Jordan, S. D.; Kuehne, M.; Lemaire, P.; Marsch, E.

1992-01-01

The experiment Solar Ultraviolet Measurements of Emitted Radiation (SUMER) is designed for the investigations of plasma flow characteristics, turbulence and wave motions, plasma densities and temperatures, structures and events associated with solar magnetic activity in the chromosphere, the transition zone and the corona. Specifically, SUMER will measure profiles and intensities of Extreme Ultraviolet (EUV) lines emitted in the solar atmosphere ranging from the upper chromosphere to the lower corona; determine line broadenings, spectral positions and Doppler shifts with high accuracy, provide stigmatic images of selected areas of the Sun in the EUV with high spatial, temporal and spectral resolution and obtain full images of the Sun and the inner corona in selectable EUV lines, corresponding to a temperature from 10,000 to more than 1,800,000 K.

In situ monitoring of thermal crystallization of ultrathin tris(8-hydroxyquinoline) aluminum films using surface-enhanced Raman scattering.

PubMed

Muraki, Naoki

2014-01-01

Thermal crystallization of 3, 10, and 60 nm-thick tris(8-hydroxyquinoline)aluminum (Alq3) films is studied using surface-enhanced Raman scattering with a constant heating rate. An abrupt higher frequency shift of the quinoline-stretching mode is found to be an indication of a phase transition of Alq3 molecules from amorphous to crystalline. While the 60 nm-thick film shows the same crystallization temperature as a bulk sample, the thinner films were found to have a lower crystallization temperature and slower rate of crystallization. Non-isothermal kinetics analysis is performed to quantify kinetic properties such as the Avrami exponent constants and crystallization rates of ultrathin Alq3 films.

Temperature-dependent excitonic photoluminescence of hybrid organometal halide perovskite films.

PubMed

Wu, Kewei; Bera, Ashok; Ma, Chun; Du, Yuanmin; Yang, Yang; Li, Liang; Wu, Tom

2014-11-07

Organometal halide perovskites have recently attracted tremendous attention due to their potential for photovoltaic applications, and they are also considered as promising materials in light emitting and lasing devices. In this work, we investigated in detail the cryogenic steady state photoluminescence properties of a prototypical hybrid perovskite CH3NH3PbI3-xClx. The evolution of the characteristics of two excitonic peaks coincides with the structural phase transition around 160 K. Our results further revealed an exciton binding energy of 62.3 ± 8.9 meV and an optical phonon energy of 25.3 ± 5.2 meV, along with an abnormal blue-shift of the band gap in the high-temperature tetragonal phase.

MD simulations of phase stability of PuGa alloys: Effects of primary radiation defects and helium bubbles

DOE PAGES

Dremov, V. V.; Sapozhnikov, F. A.; Ionov, G. V.; ...

2013-05-14

We present classical molecular dynamics (MD) with Modified Embedded Atom Model (MEAM) simulations to investigate the role of primary radiation defects and radiogenic helium as factors affecting the phase stability of PuGa alloys in cooling–heating cycles at ambient pressure. The models of PuGa alloys equilibrated at ambient conditions were subjected to cooling–heating cycles in which they were initially cooled down to 100 K and then heated up to 500 K at ambient pressure. The rate of temperature change in the cycles was 10 K/ns. The simulations showed that the initial FCC phase of PuGa alloys undergo polymorphous transition in coolingmore » to a lower symmetry α'-phase. All the alloys undergo direct and reverse polymorphous transitions in the cooling–heating cycles. The alloys containing vacancies shift in both transitions to lower temperatures relative to the defect-free alloys. The radiogenic helium has much less effect on the phase stability compared to that of primary radiation defects (in spite of the fact that helium concentration is twice of that for the primary radiation defects). Lastly, this computational result agrees with experimental data on unconventional stabilization mechanism of PuGa alloys.« less

Ion-conduction and rigidity/flexibility of glasses

NASA Astrophysics Data System (ADS)

Novita, D. I.; Boolchand, P.; Malki, M.; Micoulaut, M.

2007-03-01

The (AgI)x(AgPO3)1-x solid electrolyte glass system has been examined extensively although a consensus on the increase of electrical conductivity with x data has been elusive. Here we show that the variability of the data is likely due to water contamination. Our work is on specifically prepared dry samples which display glass transition temperatures Tg(x) that are at least 50 to 100 C higher than those reported hitherto. In Raman scattering the frequency of the P-Ot bonds in PO4 tetrahedra of long chains is found to systematically red-shift with increasing x, and to display thresholds near x= xc(1) =0.095(3)(stress-transition) and x =xc(2) = 0.379(5)(rigidity transition). Calorimetric measurements show a reversibility window in the 0.09 < x < 0.38 range. Room temperature electrical conductivity, σ(x), increases with x to display thresholds near xc(1) and xc(2), and a logarithmic increase at x> xc(2) with a power-law μ = 1.78(10) that is in good agreement with theoretical predictions^1. Properties of flexibility and rigidity of backbones commonplace in covalent systems^2 is a concept that extends to solid electrolyte glasses as well. ^1Richard Zallen, Physics of Amorphous Solids ^2 P. Boolchand et al. Phil. Mag 85, 3823 (2005)

Near-zero thermal expansion and phase transitions in HfMg1-xZnxMo3O12

NASA Astrophysics Data System (ADS)

Li, Sailei; Ge, Xianghong; Yuan, Huanli; Chen, Dongxia; Guo, Juan; Shen, Ruofan; Chao, Mingju; Liang, Erjun

2018-04-01

The effects of Zn2+ incorporation on the phase formation, thermal expansion, phase transition and vibrational properties ofHfMg1-xZnxMo3O12 are investigated by XRD, dilatometry and Raman spectroscopy. The results show that (i) single phase formation is only possible for x≤0.5, otherwise, additional phases ofHfMo2O8 and ZnMoO4 appear; (ii) The phase transition temperature from monoclinic to orthorhombic structure of the single phase HfMg1-xZnxMo3O12 can be well tailored, which increases with the content of Zn2+; (iii) The incorporation of Zn2+ leads to an pronounced reduction in the positive expansion of the b-axis and a enhanced negative thermal expansion in the c-axes, leading to a near-zero thermal expansion property with lower anisotropy over a wide temperature range; (iv) Replacement of Mg2+ by Zn2+ weakens the Mo-O bonds as revealed by obvious red shifts of all the Mo-O stretching modes with increasing the content of Zn2+ and improves the sintering performance of the samples which is observed by SEM. The mechanisms of the negative and near-zero thermal expansion are discussed.

Near-Zero Thermal Expansion and Phase Transitions in HfMg1−xZnxMo3O12

PubMed Central

Li, Sailei; Ge, Xianghong; Yuan, Huanli; Chen, Dongxia; Guo, Juan; Shen, Ruofan; Chao, Mingju; Liang, Erjun

2018-01-01

The effects of Zn2+ incorporation on the phase formation, thermal expansion, phase transition, and vibrational properties of HfMg1−xZnxMo3O12 are investigated by XRD, dilatometry, and Raman spectroscopy. The results show that (i) single phase formation is only possible for x ≤ 0.5, otherwise, additional phases of HfMo2O8 and ZnMoO4 appear; (ii) The phase transition temperature from monoclinic to orthorhombic structure of the single phase HfMg1−xZnxMo3O12 can be well-tailored, which increases with the content of Zn2+; (iii) The incorporation of Zn2+ leads to an pronounced reduction in the positive expansion of the b-axis and an enhanced negative thermal expansion (NTE) in the c-axes, leading to a near-zero thermal expansion (ZTE) property with lower anisotropy over a wide temperature range; (iv) Replacement of Mg2+ by Zn2+ weakens the Mo–O bonds as revealed by obvious red shifts of all the Mo–O stretching modes with increasing the content of Zn2+ and improves the sintering performance of the samples which is observed by SEM. The mechanisms of the negative and near-ZTE are discussed. PMID:29719819

Pressure-induced phase transition in La 1 – x Sm x O 0.5 F 0.5 BiS 2

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

Fang, Y.; Yazici, D.; White, B. D.

Electrical resistivity measurements on La 1–xSm xO 0.5F 0.5BiS 2 (x = 0.1, 0.3, 0.6, 0.8) have been performed under applied pressures up to 2.6 GPa from 2 K to room temperature. The superconducting transition temperature T c of each sample significantly increases at a Sm-concentration dependent pressure P t, indicating a pressure-induced phase transition from a low-T c to a high-T c phase. At ambient pressure, T c increases dramatically from 2.8 K at x = 0.1 to 5.4 K at x = 0.8; however, the T c values at P > P t decrease slightly with x andmore » P t shifts to higher pressures with Sm substitution. In the normal state, semiconducting-like behavior is suppressed and metallic conduction is induced with increasing pressure in all of the samples. Furthermore, these results suggest that the pressure dependence of T c for the BiS 2-based superconductors is related to the lattice parameters at ambient pressure and enable us to estimate the evolution of T c for SmO 0.5F 0.5BiS 2 under pressure.« less

Pressure-induced phase transition in La 1 – x Sm x O 0.5 F 0.5 BiS 2

DOE PAGES

Fang, Y.; Yazici, D.; White, B. D.; ...

2015-09-15

Electrical resistivity measurements on La 1–xSm xO 0.5F 0.5BiS 2 (x = 0.1, 0.3, 0.6, 0.8) have been performed under applied pressures up to 2.6 GPa from 2 K to room temperature. The superconducting transition temperature T c of each sample significantly increases at a Sm-concentration dependent pressure P t, indicating a pressure-induced phase transition from a low-T c to a high-T c phase. At ambient pressure, T c increases dramatically from 2.8 K at x = 0.1 to 5.4 K at x = 0.8; however, the T c values at P > P t decrease slightly with x andmore » P t shifts to higher pressures with Sm substitution. In the normal state, semiconducting-like behavior is suppressed and metallic conduction is induced with increasing pressure in all of the samples. Furthermore, these results suggest that the pressure dependence of T c for the BiS 2-based superconductors is related to the lattice parameters at ambient pressure and enable us to estimate the evolution of T c for SmO 0.5F 0.5BiS 2 under pressure.« less

Investigation of electron beam lithography effects on metal-insulator transition behavior of vanadium dioxide

NASA Astrophysics Data System (ADS)

Yuce, H.; Alaboz, H.; Demirhan, Y.; Ozdemir, M.; Ozyuzer, L.; Aygun, G.

2017-11-01

Vanadium dioxide (VO2) shows metal-insulator phase transition at nearly 68 °C. This metal-insulator transition (MIT) in VO2 leads to a significant change in near-infrared transmittance and an abrupt change in the resistivity of VO2. Due to these characteristics, VO2 plays an important role on optic and electronic devices, such as thermochromic windows, meta-materials with tunable frequency, uncooled bolometers and switching devices. In this work, VO2 thin films were fabricated by reactive direct current magnetron sputtering in O2/Ar atmosphere on sapphire substrates without any further post annealing processes. The effect of sputtering parameters on optical characteristics and structural properties of grown thin films was investigated by SEM, XRD, Raman and UV/VIS spectrophotometer measurements. Patterning process of VO2 thin films was realized by e-beam lithography technique to monitor the temperature dependent electrical characterization. Electrical properties of VO2 samples were characterized using microprobe station in a vacuum system. MIT with hysteresis behavior was observed for the unpatterned square samples at around 68 °C. By four orders of magnitude of resistivity change was measured for the deposited VO2 thin films at transition temperature. After e-beam lithography process, substantial results in patterned VO2 thin films were observed. In this stage, for patterned VO2 thin films as stripes, the change in resistivity of VO2 was reduced by a factor of 10. As a consequence of electrical resistivity measurements, MIT temperature was shifted from 68 °C to 50 °C. The influence of e-beam process on the properties of VO2 thin films and the mechanism of the effects are discussed. The presented results contribute to the achievement of VO2 based thermochromic windows and bolometer applications.

Circadian Rhythm of Wrist Temperature among Shift Workers in South Korea: A Prospective Observational Study

PubMed Central

Kim, Hyunjoo; Kang, Suk-Hoon; Choo, Sang-Hyo; Lee, In-Seok; Choi, Kyung-Hwa

2017-01-01

Background: Human body temperature varies with circadian rhythm. To determine the effect of shift work on the circadian rhythm of the distal-skin temperature, wrist temperatures were measured. Methods: Wrist-skin temperatures were measured by an iButton® Temperature Logger. It was measured every 3 min for two and eight consecutive working days in the day and shift workers, respectively. Mesor, amplitude, and acrophase were measured by Cosinor analysis. Results: The shift-worker amplitude dropped significantly as the night shift progressed (0.92 to 0.85 °C), dropped further during rest (0.69 °C), and rose during the morning-shift days (0.82 °C). Day workers still had higher amplitudes (0.93 °C) than the morning-shift workers. The acrophase was delayed during the four night-shift days, then advanced during rest days and the morning-shift days. Nevertheless, the morning-shift worker acrophase was still significantly delayed compared to the day workers (08:03 a.m. vs. 04:11 a.m.). Conclusions: The further reduction of wrist-temperature amplitude during rest after the night shift may be due to the signal circadian rhythm disruption. Reduced amplitudes have been reported to be associated with intolerance to shift work. The findings of our study may help to design the most desirable schedule for shift workers. PMID:28946653

Circadian Rhythm of Wrist Temperature among Shift Workers in South Korea: A Prospective Observational Study.

PubMed

Jang, Tae-Won; Kim, Hyunjoo; Kang, Suk-Hoon; Choo, Sang-Hyo; Lee, In-Seok; Choi, Kyung-Hwa

2017-09-24

Background : Human body temperature varies with circadian rhythm. To determine the effect of shift work on the circadian rhythm of the distal-skin temperature, wrist temperatures were measured. Methods : Wrist-skin temperatures were measured by an iButton ® Temperature Logger. It was measured every 3 min for two and eight consecutive working days in the day and shift workers, respectively. Mesor, amplitude, and acrophase were measured by Cosinor analysis. Results : The shift-worker amplitude dropped significantly as the night shift progressed (0.92 to 0.85 °C), dropped further during rest (0.69 °C), and rose during the morning-shift days (0.82 °C). Day workers still had higher amplitudes (0.93 °C) than the morning-shift workers. The acrophase was delayed during the four night-shift days, then advanced during rest days and the morning-shift days. Nevertheless, the morning-shift worker acrophase was still significantly delayed compared to the day workers (08:03 a.m. vs. 04:11 a.m.). Conclusions : The further reduction of wrist-temperature amplitude during rest after the night shift may be due to the signal circadian rhythm disruption. Reduced amplitudes have been reported to be associated with intolerance to shift work. The findings of our study may help to design the most desirable schedule for shift workers.

Speeding Up Sigmatropic Shifts-To Halve or to Hold.

PubMed

Tantillo, Dean J

2016-04-19

Catalysis is common. Rational catalyst design, however, is at the frontier of chemical science. Although the histories of physical organic and synthetic organic chemistry boast key chapters involving [3s,3s] sigmatropic shifts, catalysis of these reactions is much less common than catalysis of ostensibly more complex processes. The comparative dearth of catalysts for sigmatropic shifts is perhaps a result of the perception that transition state structures for these reactions, like their reactants, are nonpolar and therefore not amenable to selective stabilization and its associated barrier lowering. However, as demonstrated in this Account, transition state structures for [3s,3s] sigmatropic shifts can in fact have charge distributions that differ significantly from those of reactants, even for hydrocarbon substrates, allowing for barriers to be decreased and rates increased. In some cases, differences in charge distribution result from the inclusion of heteroatoms at specific positions in reactants, but in other cases differences are actually induced by catalysts. Perhaps surprisingly, strategies for complexation of transition state structures that remain nonpolar are also possible. In general, the strategies for catalysis employed can be characterized as involving either mechanistic intervention, where a catalyst induces a change from the concerted mechanism expected for a [3s,3s] sigmatropic shift to a multistep process (cutting the transformation into halves or smaller pieces) whose overall barrier is decreased relative to the concerted process, or transition state complexation, where a catalyst simply binds (holds) more tightly to the transition state structure for a [3s,3s] sigmatropic shift than to the reactant, leading to a lower barrier in the presence of the catalyst. Both of these strategies can be considered to be biomimetic in that enzymes frequently induce multistep processes and utilize selective transition state stabilization for the steps involved. In addition, transition state complexation was the principle around which catalytic antibodies were originally designed. The field of catalysis of sigmatropic shifts is now ready for rational design. The studies described here all provide evidence for the origins of rate acceleration, derived in large part from the results of quantum chemical calculations, that can now be applied to the design of new catalysts for [3s,3s] and other sigmatropic shifts.

Crystal structures and transition mechanism of VO{sub 2}(A)

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

Oka, Yoshio; Yao, Takeshi; Yamamoto, Naoichi

1998-12-01

Structures of VO{sub 2}(A) have been redetermined by single-crystal diffractometry for low- (LTP) and high-temperature (HTP) phases at 298 and 473 K, respectively. The LTP adopts the tetragonal system P4/ncc with a = 8.4403(9) {angstrom}, c = 7.666(1) {angstrom}, and Z = 16, whereas the HTP adopts the body-centered tetragonal system I4/m with a = 8.476(2) {angstrom}, c = 3.824(2) {angstrom}, and Z = 8. The refinements led to R/R{sub w} = 0.031/0.032 for LTP and 0.012/0.033 for HTP. The structures of both phases consist of edge-sharing VO{sub 6} octahedra and exhibit quite similar oxygen frameworks. Through the transition themore » V{sup 4+}-V{sup 4+} bonding in LTP with a distance of 2.7695(8) {angstrom} is dissociated in HTP to a distance of 3.0794(3) {angstrom}. The transition occurs with cooperative movements of the V atoms, namely, a rotation around the c axis and a shift along the c axis. Strangely, twinning is induced on the LTP to HTP transition but disappears on the reverse transition.« less

Effect of Structural Relaxation on the In-Plane Electrical Resistance of Oxygen-Underdoped ReBaCuO (Re = Y, Ho) Single Crystals

NASA Astrophysics Data System (ADS)

Vovk, Ruslan V.; Vovk, Nikolaj R.; Dobrovolskiy, Oleksandr V.

2014-05-01

The effect of jumpwise temperature variation and room-temperature storing on the basal-plane electrical resistivity of underdoped ReBaCuO (Re = Y, Ho) single crystals is investigated. Reducing the oxygen content has been revealed to lead to the phase segregation accompanied by both, labile component diffusion and structural relaxation in the sample volume. Room-temperature storing of single crystals with different oxygen hypostoichiometries leads to a substantial widening of the rectilinear segment in in conjunction with a narrowing of the temperature range of existence of the pseudogap state. It is established that the excess conductivity obeys an exponential law in a broad temperature range, while the pseudogap's temperature dependence is described satisfactory in the framework of the BCS-BEC crossover theory. Substituting yttrium with holmium essentially effects the charge distribution and the effective interaction in CuO planes, thereby stimulating disordering processes in the oxygen subsystem. This is accompanied by a notable shift of the temperature zones corresponding to transitions of the metal-insulator type and to the regime of manifestation of the pseudogap anomaly.

Shift work disorder, depression, and anxiety in the transition to rotating shifts: the role of sleep reactivity.

PubMed

Kalmbach, David A; Pillai, Vivek; Cheng, Philip; Arnedt, J Todd; Drake, Christopher L

2015-12-01

The aim of this study is to investigate premorbid sleep reactivity as a vulnerability to incident shift work disorder (SWD), and related changes in depression as well as anxiety following a transition to a rotating shifts work schedule. This is a longitudinal study with two waves of data collection. The community-based sample included normal sleeping non-shift workers (N = 96; 62.5% female; 47.9 ± 13.3 years) without a lifetime history of insomnia or baseline excessive daytime sleepiness who transitioned to rotating shift work one year later. Participants reported demographic characteristics, trait sleep reactivity on the Ford Insomnia Response to Stress Test, depression symptoms on the Quick Inventory of Depression Symptomatology, and anxiety symptoms on the Beck Anxiety Inventory. SWD was determined based on significant sleep disturbance and/or excessive sleepiness in the context of working in a rotating-shift schedule. Analyses revealed that the odds were over five times greater for highly sleep-reactive individuals to develop SWD after transitioning to rotating shifts (OR = 5.59, p = 0.04). Nearly 90% of participants who suffered from SWD were accurately identified as high risk at one year before disease onset. Furthermore, individuals who developed SWD reported greater increases in symptoms of depression and anxiety. Finally, analyses revealed significant indirect effects wherein high sleep reactivity increased risk for SWD, which led to greater severity of anxiety and depression symptoms. The Ford Insomnia Response to Stress Test (FIRST) accurately identifies a focused target population in which the premorbid psychobiological processes complicit in SWD onset and progression, as well as shift work-related depression and anxiety changes, can be better investigated, thus improving future preventative efforts. Copyright © 2015 Elsevier B.V. All rights reserved.

Linear viscoelasticity and thermorheological simplicity of n-hexadecane fluids under oscillatory shear via non-equilibrium molecular dynamics simulations.

PubMed

Tseng, Huan-Chang; Wu, Jiann-Shing; Chang, Rong-Yeu

2010-04-28

A small amplitude oscillatory shear flows with the classic characteristic of a phase shift when using non-equilibrium molecular dynamics simulations for n-hexadecane fluids. In a suitable range of strain amplitude, the fluid possesses significant linear viscoelastic behavior. Non-linear viscoelastic behavior of strain thinning, which means the dynamic modulus monotonously decreased with increasing strain amplitudes, was found at extreme strain amplitudes. Under isobaric conditions, different temperatures strongly affected the range of linear viscoelasticity and the slope of strain thinning. The fluid's phase states, containing solid-, liquid-, and gel-like states, can be distinguished through a criterion of the viscoelastic spectrum. As a result, a particular condition for the viscoelastic behavior of n-hexadecane molecules approaching that of the Rouse chain was obtained. Besides, more importantly, evidence of thermorheologically simple materials was presented in which the relaxation modulus obeys the time-temperature superposition principle. Therefore, using shift factors from the time-temperature superposition principle, the estimated Arrhenius flow activation energy was in good agreement with related experimental values. Furthermore, one relaxation modulus master curve well exhibited both transition and terminal zones. Especially regarding non-equilibrium thermodynamic states, variations in the density, with respect to frequencies, were revealed.

Infrared spectral and carbon isotopic characteristics of micro- and macro-diamonds from the Panda kimberlite (Central Slave Craton, Canada)

NASA Astrophysics Data System (ADS)

Melton, G. L.; Stachel, T.; Stern, R. A.; Carlson, J.; Harris, J. W.

2013-09-01

One hundred and twenty-one micro-diamonds (< 1 mm) and 90 macro-diamonds (2.5 mm to 3.4 mm) from the Panda kimberlite (Ekati mine, Central Slave Craton, Canada) were analyzed for nitrogen content, nitrogen aggregation state (%B) and platelet and hydrogen peak areas (cm- 2). Micro-diamond nitrogen concentrations range from < 10 at. ppm to 1696 at. ppm (median = 805 at. ppm) and the median aggregation state is 23%B. Macro-diamonds range from < 10 at. ppm to 1260 at. ppm (median = 187 at. ppm) nitrogen and have a median nitrogen aggregation of 26%B. Platelet and hydrogen peaks were observed in 37% and 79% of the micro-diamonds and 79% and 56% of the macro-diamonds, respectively. Nitrogen based time averaged residence temperatures indicate that micro- and macro-diamonds experienced similar thermal mantle residence histories, both populations displaying bimodal residence temperature distributions with a gap between 1130 °C and 1160 °C (at 3.5 Ga residence). In addition, SIMS carbon isotopic analyses for the micro-diamonds were obtained: δ13C compositions range from - 6.9‰ to + 1.8‰ (median = - 4.3‰). CL imaging reveals distinct growth layers that in some samples differ by > 2‰, but mostly vary by < 0.5‰. Comparison of only the “gem-quality” samples (n = 49 micro- and 90 macro-diamonds) between the two diamond sets, indicates a statistically significant shift of + 1.3‰ in average δ13C from macro- to micro-diamonds and this shift documents distinct diamond forming fluids, fractionation process or growth histories. A broad transition to heavier isotopic values is also observed in connection to decreasing mantle residence temperatures. The bimodal mantle residence temperature distribution may coincide with the transition from highly depleted shallow to more fertile deep lithospheric mantle observed beneath the Central Slave Craton. The increase in δ13C with decreasing residence temperature (proxy for decreasing depth) is interpreted to reflect diamond formation from a carbonate-bearing metasomatic fluid/melt that isotopically evolves as it percolates upward through the lithosphere.

Seasonal variations in aridity and temperature characterize changing climate during the last deglaciation in New Zealand

NASA Astrophysics Data System (ADS)

Sikes, Elisabeth L.; Medeiros, Patricia M.; Augustinus, Paul; Wilmshurst, Janet M.; Freeman, Katherine R.

2013-08-01

New multiproxy records of aridity from northern New Zealand assess the seasonality and overall pattern of wetness through the Last Glacial Coldest Period (LGCP) to the early Holocene in the subtropical Southwest Pacific. Biomass burning indicators based on terrestrial biomarkers and δ13C of individual plant leaf wax carbon compounds (n-alkanoic acids) from a maar lake were used to track aridity. In combination with published sea surface temperatures and new pollen-based temperature estimates from the same core, seasonal climatological changes in the Auckland area were determined from 27 to 9 cal. ka BP. These proxies document a shift from cold and dry conditions in the Last Glacial Maximum to seasonally wetter conditions through the deglaciation. Spring became warmer first and possibly wetter while summers remained drier and initially cooler. The progression from cold-dry to warm-wet was punctuated by the Antarctic Cold Reversal (ACR) which stands out as having wetter conditions in both spring and summer and mild cooling largely concentrated in spring. The seasonal climate trends observed here can be plausibly explained by a rapid change from a subpolar climate to one with subtropical control in this region of the southwest Pacific across the Last Glacial to Interglacial transition. A southerly shift and decreasing intensity of the westerly wind belt after the LGCP is considered to have driven the early deglacial warming and pulse of wetness whereas a northward shift without a commensurate increase in intensity of the westerlies may explain conditions in the ACR.

Temperature and pressure variations of d-d luminescence band maxima of bis(pyridylalkenolato)palladium(II) complexes with different ligand substituents: opposite-signed trends.

PubMed

Poirier, Stéphanie; Czympiel, Lisa; Bélanger-Desmarais, Nicolas; Mathur, Sanjay; Reber, Christian

2016-04-21

Luminescence spectra of two d(8)-configured bis(pyridylalkenolato)palladium(ii) complexes, [Pd{PyCHC(C3F7)O}2] and [Pd{PyCHC(CH3)O}2], are presented at variable temperature and pressure. Bands are assigned as d-d transitions. The heptafluoropropyl and methyl substituents on the ligands have different steric demands, influencing luminescence spectra. Broad bands with maxima at approximately 12 700 cm(-1) (790 nm) for ligands with heptafluoropropyl substituents and 12,100 cm(-1) (830 nm) for ligands with methyl substituents and widths of approximately 2100 cm(-1) for both complexes are observed at 80 K. Quenching of the luminescence is observed as temperature increases. The maxima of [Pd{PyCHC(C3F7)O}2] show a shift of -0.9 ± 0.1 cm(-1) K(-1) due to broadening of the spectra to lower energy. The luminescence maxima of [Pd{PyCHC(CH3)O}2] shift in the opposite direction by +7.2 ± 0.7 cm(-1) K(-1). Shifts with different signs are also obtained from variable-pressure luminescence spectra, with values of +13 ± 2 cm(-1) kbar(-1) and -15 ± 7 cm(-1) kbar(-1) for [Pd{PyCHC(C3F7)O}2] and [Pd{PyCHC(CH3)O}2], respectively. The pressure-induced decrease is unusual and likely caused by intermolecular interactions involving the palladium(ii) center and a vinylic proton of a neighboring complex.

Chromospheric counterparts of solar transition region unresolved fine structure loops

NASA Astrophysics Data System (ADS)

Pereira, Tiago M. D.; Rouppe van der Voort, Luc; Hansteen, Viggo H.; De Pontieu, Bart

2018-04-01

Low-lying loops have been discovered at the solar limb in transition region temperatures by the Interface Region Imaging Spectrograph (IRIS). They do not appear to reach coronal temperatures, and it has been suggested that they are the long-predicted unresolved fine structures (UFS). These loops are dynamic and believed to be visible during both heating and cooling phases. Making use of coordinated observations between IRIS and the Swedish 1-m Solar Telescope, we study how these loops impact the solar chromosphere. We show for the first time that there is indeed a chromospheric signal of these loops, seen mostly in the form of strong Doppler shifts and a conspicuous lack of chromospheric heating. In addition, we find that several instances have a inverse Y-shaped jet just above the loop, suggesting that magnetic reconnection is driving these events. Our observations add several puzzling details to the current knowledge of these newly discovered structures; this new information must be considered in theoretical models. Two movies associated to Fig. 1 are available at http://https://www.aanda.org

Liminal Spaces, Resources and Networks: Facebook as a Shaping Force for Students' Transitions into Higher Education

ERIC Educational Resources Information Center

Baker, Sally; Stirling, Eve

2016-01-01

As technological developments accelerate, and neoliberal ideologies shift the ways that universities "do business," higher education is facing radical changes. Within this context, students' need to 'succeed' at university is more important than ever. Consequently, understanding students' transitions within this shifting higher education…

Unusual effects of manual grinding and subsequent annealing process observed in Gd5.09Ge2.03Si1.88 compound

NASA Astrophysics Data System (ADS)

Carvalho, A. M. G.; Alves, C. S.; Trevizoli, P. V.; dos Santos, A. O.; Gama, S.; Coelho, A. A.

2018-03-01

The Gd5.09Ge2.03Si1.88 compound, as well as other magnetocaloric materials, certainly will not be used in their un-manufactured as-cast condition in future magnetic refrigeration applications or other devices. In this work, we have studied the Gd5.09Ge2.03Si1.88 compound processed in different ways, mainly, the as-cast powder, the annealed powder, and the pressed and sintered powder. The annealed powder (1370 K/20 h) does not present the monoclinic phase and the first-order magneto-structural transition observed in the as-cast powder. The pressed and sintered powder also do not present the first-order transition. Furthermore, the compacting pressure shifts the second-order magnetic transition to lower temperatures. The behavior of cell parameters as a function of the compacting pressure indicates that T C is directly affected by parameter c change.