Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G

More than 22 000 folding kinetic simulations were performed to study the temperature dependence of the distribution of first passage time (FPT) for the folding of an all-atom Go-like model of the second beta-hairpin fragment of protein G. We find that the mean FPT (MFPT) for folding has a U (or V)-shaped dependence on the temperature with a minimum at a characteristic optimal folding temperature T-opt*. The optimal folding temperature T-opt* is located between the thermodynamic folding transition temperature and the solidification temperature based on the Lindemann criterion for the solid. Both the T-opt* and the MFPT decrease when the energy bias gap against nonnative contacts increases. The high-order moments are nearly constant when the temperature is higher than T-opt* and start to diverge when the temperature is lower than T-opt*. The distribution of FPT is close to a log-normal-like distribution at T* greater than or equal to T-opt*. At even lower temperatures, the distribution starts to develop long power-law-like tails, indicating the non-self-averaging intermittent behavior of the folding dynamics. It is demonstrated that the distribution of FPT can also be calculated reliably from the derivative of the fraction not folded (or fraction folded), a measurable quantity by routine ensemble-averaged experimental techniques at dilute protein concentrations.

Strong temperature dependence and no moss photosynthesis in winter CO2 flux for a Kobresia meadow on the Qinghai-Tibetan plateau

We examined the CO2 exchange of a Kobresia meadow ecosystem on the Qinghai-Tibetan plateau using a chamber system. CO2 efflux from the ecosystem was strongly dependence on soil surface temperature. The COZ efflux-temperature relationship was identical under both light and dark conditions, indicating that no photosynthesis could be detected under light conditions during the measurement period. The temperature sensitivity (Q(10)) of the COZ efflux showed a marked transition around -1.0 degrees C; Q(10) was 2.14 at soil surface temperatures above and equal to -1.0 degrees C but was 15.3 at temperatures below -1.0 degrees C. Our findings suggest that soil surface temperature was the major factor controlling winter COZ flux for the alpine meadow ecosystem and that freeze-thaw cycles at the soil surface layer play an important role in the temperature dependence of winter CO2 flux. (c) 2005 Elsevier Ltd. All rights reserved.

Dependence of bimodal size distribution on temperature and optical properties of InAs quantum dots grown on vicinal GaAs (1-00) substrates by using MOCVD

Self-assembled InAs quantum dots (QDs) are grown on vicinal GaAs (100) substrates by using metal-organic chemical vapour deposition (MOCVD). An abnormal temperature dependence of bimodal size distribution of InAs quantum dots is found. As the temperature increases, the density of the small dots grows larger while the density of the large dots turns smaller, which is contrary to the evolution of QDs on exact GaAs (100) substrates. This trend is explained by taking into account the presence of multiatomic steps on the substrates. The optical properties of InAs QDs on vicinal GaAs(100) substrates are also studied by photoluminescence (PL). It is found that dots on a vicinal substrate have a longer emission wavelength, a narrower PL line width and a much larger PL intensity.

TEMPERATURE AND STRAIN-RATE DEPENDENCE OF FRACTURE-TOUGHNESS OF PHENOLPHTHALEIN POLYETHER KETONE

A strong strain-rate and temperature dependence was observed for the fracture toughness of phenolphthalein polyether ketone (PEK-C). Two separate crack-blunting mechanisms have been proposed to account for the fracture-toughness data. The first mechanism involves thermal blunting due to adiabatic heating at the crack tip for the high temperatures studied. In the high-temperature range, thermal blunting increases the fracture toughness corresponding to an effectively higher test temperature. However, in the low-temperature range, the adiabatic temperature rise is insufficient to cause softening and Jic increases with increasing temperature owing to viscoelastic losses associated with the p-relaxation there. The second mechanism involves plastic blunting due to shear yield/flow processes at the crack tip and this takes place at slow strain testing of the single-edge notched bending (SENB) samples. The temperature and strain-rate dependence of the plastic zone size may also be responsible for the temperature and strain-rate dependence of fracture toughness.

TEMPERATURE RATE DEPENDENCE OF YIELD AND FRACTURE-BEHAVIOR OF PHENOLPHTHALEIN POLY(ETHER KETONE)

The rate/temperature dependence of yield stress, tensile modulus and crack opening displacement of phenolphthalein poly(ether ketone) (PEK-C) has been investigated. The rate/temperature dependence of crack opening displacement and the correlation establis

The growth temperatures dependence of optical and electrical properties of InN films

InN films grown on sapphire at different substrate temperatures from 550 degrees C to 700 degrees C by metalorganic chemical vapor deposition were investigated. The low-temperature GaN nucleation layer with high-temperature annealing (1100 degrees C) was used as a buffer for main InN layer growth. X-ray diffraction and Raman scattering measurements reveal that the quality of InN films can be improved by increasing the growth temperature to 600 degrees C. Further high substrate temperatures may promote the thermal decomposition of InN films and result in poor crystallinity and surface morphology. The photoluminescence and Hall measurements were employed to characterize the optical and electrical properties of InN films, which also indicates strong growth temperature dependence. The InN films grown at temperature of 600 degrees C show not only a high mobility with low carrier concentration, but also a strong infrared emission band located around 0.7 eV. For a 600 nm thick InN film grown at 600 degrees C, the Hall mobility achieves up to 938 cm(2)/Vs with electron concentration of 3.9 x 10(18) cm(-3).

Temperature dependent spectral response characteristic of III-V compound tandem cell

The GaInP/GaAs/Ge triple-junction tandem cells with a conversion efficiency of 27.1% were fabricated using metalorganic chemical vapor deposition (MOCVD) technique. Temperature dependence of the spectral response measurements of the GaInP/GaAs/Ge tandem cell was performed by a quantum efficiency system at temperatures ranging from 25A degrees C to 160A degrees C. The red-shift phenomena of the absorption limit for all subcells were observed with increasing temperature, which is dued to the energy gap narrowing with temperature. The short-circuit current densities (J (sc)) of GaInP, GaAs and Ge subcells at room temperature calculated based on the spectral response data were 12.9, 13.7 and 17 mA/cm(2), respectively. The temperature coefficient of J (sc) for the tandem cell was determined to be 8.9 mu A/(cm(2) center dot A degrees C), and the corresponding temperature coefficient of the open-circuit voltage deduced from the series-connected model was -6.27 mV/A degrees C.

Temperature-induced switching-over of the luminescence transitions in GaInNAs/GaAs quantum wells

Photoluminescence (PL) spectra of the GaInNAs/GaAs single quantum well (SQW) with different N compositions are carefully studied in a range of temperatures and excitation power densities. The anomalous S-shape temperature dependence of the PL peak is analysed based on the competition and switching-over between the peaks related to N-induced localized states and the peak related to interband excitonic recombination. It is found that with increasing N composition, the localized energy increases and the turning point of the S-shape temperature dependence occurs at higher temperature, where the localized carriers in the bandtail states obtain enough thermal activation energy to be dissociated and delocalized. The rapid thermal annealing (RTA) effectively reduces the localized energy and causes a decrease of the switching-over temperature.

Luminescence temperature and pressure studies of Zn2SiO4 phosphors doped with Mn2+ and Eu3+ ions

Zn2SiO4:Mn2+, Zn2SiO4:Eu3+ and Zn2SiO4:Mn2+ Eu3+ phosphors were prepared by a sol-gel process and their luminescence spectra were investigated. The emission bands from intra-ion transitions of Mn2+ and Eu3+ samples were studied as a function of pressure. The pressure coefficient of Mn2+ emission was found to be -25.3 +/- 0.5 and -28.5 +/- 0.9 meV/GPa for Zn2SiO4:Mn2+ and Zn2SiO4:Mn2+ Eu3+, respectively. The Eu3+ emission shows only weak pressure dependence. The pressure dependences of the Mn2+ and Eu3+ emissions in Zn2SiO4:Mn2+ Eu3+ are slightly different from that in Zn2SiO4:Mn2+ and Zn2SiO4:Eu3+ samples, which can be attributed to the co-doping of Mn2+ and Eu3+ ions. The Mn2+ emission in the two samples, however, exhibits analogous temperature dependence and similar luminescence lifetimes, indicating no energy transfer from Mn2+ to Eu3+ occurs. (c) 2005 Elsevier B.V. All rights reserved.

Temperature-independent fiber Bragg grating strain sensor using bimetal cantilever

A new packaged fiber Bragg grating using bimetal cantilever beam as the strain agent is presented. The grating is two-point attached on one specific surface of the bimetal beam which consists of two metallic material with different thermal-expansion coefficient. Thereby the grating can be compressed or stretched along with the cantilever beam while temperature varies and temperature compensation can be realized. At the same time, grating chirping can be avoided for the particular attaching method. Experiment results demonstrated that the device is able to automatically compensate temperature induced wavelength shift. The temperature dependence of Bragg wavelength reduced to -0.4 pm/degrees C over the temperature range from -20 to 60 degrees C. This fiber grating package technique is cost effective and can be used in strain sensing. (c) 2005 Elsevier Inc. All rights reserved.

A convenient way of determining the ferromagnetic transition temperature of metallic (Ga,Mn)As

We have studied magnetic and transport properties of insulating and metallic (Ga,Mn)As layers before and after annealing. A dramatic increase of the ferromagnetic transition temperature T-C by postgrowth annealing has been realized in both insulating and metallic (Ga,Mn)As. The as-grown insulating (Ga,Mn)As can be turned into metallic by the low-temperature annealing. For all the metallic (Ga,Mn)As, a characteristic feature in the temperature dependence of sheet resistance appears around T-C. This phenomenon may provide a simple and more convenient method to determine the T-C of metallic (Ga,Mn)As compared with superconducting quantum interference device (SQUID) measurement. Moreover, the T-C of the metallic (Ga,Mn)As obtained by this way is in good agreement with that measured by a SQUID magnetometer. (C) 2005 American Institute of Physics.

Abnormal energy dependence of photoluminescence decay time in InGaN epilayer

We employ photoluminescence (PL) and time-resolved PL to study exciton localization effect in InGaN epilayers. By measuring the exciton decay time as a, function of the monitored emission energy at different temperatures, we have found unusual behaviour of the energy dependence in the PL decay process. At low temperature, the measured PL decay time increases with the emission energy. It decreases with the emission energy at 200K, and remains nearly constant at the intermediate temperature of 120K. We have studied the dot size effect on the radiative recombination time by calculating the temperature dependence of the exciton recombination lifetime in quantum dots, and have found that the observed behaviour can be well correlated to the exciton localization in quantum dots. This suggestion is further supported by steady state PL results.

Rapid photoluminescence quenching in GaInNAs quantum wells at low temperature

Temperature dependence of optical properties of GaInNAs/GaAs quantum wells (QWs) has been studied by photoluminescence (PL) and time-resolved PL. A rapid PL quenching is observed even at very low temperature and is of the excitation power dependence. These results strongly suggest that the non-radiative recombination process plays a very important role at low temperature. In the TRPL measurement the shape of the PL decay curve shows significant difference under different excitation powers. It is attributed to the different involvement of non-radiative recombination in the overall recombination process. The TRPL data are well fitted with the rate equation involving both the radiative and non-radiative recombination. (c) 2006 Elsevier B.V. All rights reserved.

Temperature and pressure dependences of the copper-related green emission in ZnO microrods

We have investigated the temperature and pressure dependences of the copper-related green emission, which show fine structure at low temperature, from tetrapodlike ZnO microrods. The temperature dependence of the green emission energy follows the changes in the band gap from 10-200 K, but deviates from this behavior above 200 K. The pressure dependence of the copper-related green band (25 +/- 5 meV/GPa) is similar to that of the band gap of ZnO, and is larger than that reported previously for defect-related green emission in ZnO. (c) 2006 American Institute of Physics.