Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water

We present results from extensive molecular dynamics simulations of collapse transitions of hydrophobic polymers in explicit water focused on understanding effects of lengthscale of the hydrophobic surface and of attractive interactions on folding. Hydrophobic polymers display parabolic, protein-like, temperature-dependent free energy of unfolding. Folded states of small attractive polymers are marginally stable at 300 K, and can be unfolded by heating or cooling. Increasing the lengthscale or decreasing the polymer-water attractions stabilizes folded states significantly, the former dominated by the hydration contribution. That hydration contribution can be described by the surface tension model, $\Delta G=\gamma (T)\Delta A$, where the surface tension, $\gamma$, is lengthscale dependent and decreases monotonically with temperature. The resulting variation of the hydration entropy with polymer lengthscale is consistent with theoretical predictions of Huang and Chandler (Proc. Natl. Acad. Sci.,97, 8324-8327, 2000) that explain the blurring of entropy convergence observed in protein folding thermodynamics. Analysis of water structure shows that the polymer-water hydrophobic interface is soft and weakly dewetted, and is characterized by enhanced interfacial density fluctuations. Formation of this interface, which induces polymer folding, is strongly opposed by enthalpy and favored by entropy, similar to the vapor-liquid interface.Comment: 24 pages, 5 figure

Photoresist Derived Carbon Films as High Capacity Anodes for Lithium Ion Battery

An epoxy-based negative photoresist (SU-8) was spin-coated on stainless steel (SS) wafers followed by two-step pyrolysis in inert atmosphere to yield dense carbon films to be used as anodes for lithium (Li) ion batteries. The selection of SS wafer substrates was in accordance with commercial Li ion battery architecture. Cyclic voltammograms confirm the passive layer formation by electrolyte decomposition in the initial cycle. Galvanostatic charge/discharge experiments in the range 0.01-3 V performed at a C-rate=0.1 C confirms the reversible intercalation of Li ions and shows higher gravimetric reversible capacity for these photoresist-derived carbon films on SS wafer substrates than graphite (400 mAh/g vs. 372 mAh/g for graphite). This high reversible capacity may be attributed to high disorder in photoresist derived-carbon as characterized by X-ray diffraction and Raman spectroscopy

Large zero-field cooled exchange-bias in bulk Mn2PtGa

We report a large exchange-bias (EB) effect after zero-field cooling the new tetragonal Heusler compound Mn2PtGa from the paramagnetic state. The first-principle calculation and the magnetic measurements reveal that Mn2PtGa orders ferrimagnetically with some ferromagnetic (FM) inclusions. We show that ferrimagnetic (FI) ordering is essential to isothermally induce the exchange anisotropy needed for the zero-field cooled (ZFC) EB during the virgin magnetization process. The complex magnetic behavior at low temperatures is characterized by the coexistence of a field induced irreversible magnetic behavior and a spin-glass-like phase. The field induced irreversibility originates from an unusual first-order FI to antiferromagnetic transition, whereas, the spin-glass like state forms due to the existence of anti-site disorder intrinsic to the material.Comment: 5 pages, 4 figures, supplementary material included in a separate file; accepted for publication in PR

Thermopower and thermal conductivity in the Weyl semimetal NbP

The Weyl semimetal NbP exhibits an extremely large magnetoresistance (MR) and an ultra-high mobility. The large MR originates from a combination of the nearly perfect compensation between electron- and hole-type charge carriers and the high mobility, which is relevant to the topological band structure. In this work we report on temperature- and field-dependent thermopower and thermal conductivity experiments on NbP. Additionally, we carried out complementary heat capacity, magnetization, and electrical resistivity measurements. We found a giant adiabatic magnetothermopower with a maximum of 800 $\mu$V/K at 50 K in a field of 9 T. Such large effects have been observed rarely in bulk materials. We suggest that the origin of this effect might be related to the high charge-carrier mobility. We further observe pronounced quantum oscillations in both thermal conductivity and thermopower. The obtained frequencies compare well with our heat capacity and magnetization data.Comment: 6 pages, 3 figure

Spin-lattice coupling mediated giant magnetodielectricity across the spin reorientation in Ca2FeCoO5

The structural, phonon, magnetic, dielectric, and magneto dielectric responses of the pure bulk Brownmillerite compound Ca2FeCoO5 are reported. This compound showed giant magneto dielectric response (10%-24%) induced by strong spin-lattice coupling across its spin reorientation transition (150-250 K). The role of two Debye temperatures pertaining to differently coordinated sites in the dielectric relaxations is established. The positive giant magneto-dielectricity is shown to be a direct consequence of the modulations in the lattice degrees of freedom through applied external field across the spin reorientation transition. Our study illustrates novel control of magneto-dielectricity by tuning the spin reorientation transition in a material that possess strong spin lattice coupling.Comment: 7 pages, 12 figure

Linear-in-frequency optical conductivity in GdPtBi due to transitions near the triple points

The complex optical conductivity of the half-Heusler compound GdPtBi is measured in a frequency range from 20 to 22 000 cm$^{-1}$ (2.5 meV - 2.73 eV) at temperatures down to 10 K in zero magnetic field. We find the real part of the conductivity, $\sigma_{1}(\omega)$, to be almost perfectly linear in frequency over a broad range from 50 to 800 cm$^{-1}$ ($\sim$ 6 - 100 meV) for $T \leq 50$ K. This linearity strongly suggests the presence of three-dimensional linear electronic bands with band crossings (nodes) near the chemical potential. Band-structure calculations show the presence of triple points, where one doubly degenerate and one nondegenerate band cross each other in close vicinity of the chemical potential. From a comparison of our data with the optical conductivity computed from the band structure, we conclude that the observed nearly linear $\sigma_{1}(\omega)$ originates as a cumulative effect from all the transitions near the triple points.Comment: 5+ pages, 5 figures, band-structure and optical-conductivity calculations adde

Effect of Current Collector and Pyrolysis Temperature on the Electrochemical Performance of Photoresist Derived Carbon Films

SU-8, an epoxy based negative photoresist has been demonstrated as a potential precursor to fabricate thin films and three-dimensional micropatterned arrays in glassy carbon. However, the use of silicon wafer as a substrate cum collector limits their use in real battery devices. In accordance with the commercial lithium ion battery architecture and also owing to enhanced conductivity, we have successfully demonstrated the use of stainless steel (SS) wafer as a current collector to prepare binder free SU-8 derived carbon thin films. Standard carbon microelectromechanical systems (C-MEMS) process parameters were tuned to obtain a uniform, crack-free carbon thin film on SS wafer upon pyrolysis. Further, we varied the final pyrolysis temperature to examine its effect on the microstructure and composition as characterized with X-ray diffraction, Small angle X-ray scattering, Raman spectroscopy and CHNS-O elemental analyzer respectively. The microstructural changes in the carbon films at different pyrolysis temperature were then correlated with their electrochemical performance as investigated using galvanostat charge/discharge experiments, impedance spectroscopy and cyclic voltammetry. Selection of an appropriate current collector and optimizing the pyrolysis temperature yielded excellent cyclic stability and coulombic efficiency with 400 mAh g−1 reversible capacity after 100 cycles, nearly double to as reported in the literature

Two-channel conduction in YbPtBi

We investigated transport, magnetotransport, and broadband optical properties of the half-Heusler compound YbPtBi. Hall measurements evidence two types of charge carriers: highly mobile electrons with a temperature-dependent concentration and low-mobile holes; their concentration stays almost constant within the investigated temperature range from 2.5 to 300 K. The optical spectra (10 meV - 2.7 eV) can be naturally decomposed into contributions from intra- and interband absorption processes, the former manifesting themselves as two Drude bands with very different scattering rates, corresponding to the charges with different mobilities. These results of the optical measurements allow us to separate the contributions from electrons and holes to the total conductivity and to implement a two-channel-conduction model for description of the magnetotransport data. In this approach, the electron and hole mobilities are found to be around 50000 and 10 cm$^{2}$/Vs at the lowest temperatures (2.5 K), respectively.Comment: 6 page

Etiology, triggers and neurochemical circuits associated with unexpected, expected, and laboratory-induced panic attacks

Panic disorder (PD) is a severe anxiety disorder that is characterized by recurrent panic attacks (PA), which can be unexpected (uPA, i.e., no clear identifiable trigger) or expected (ePA). Panic typically involves an abrupt feeling of catastrophic fear or distress accompanied by physiological symptoms such as palpitations, racing heart, thermal sensations, and sweating. Recurrent uPA and ePA can also lead to agoraphobia, where subjects with PD avoid situations that were associated with PA. Here we will review recent developments in our understanding of PD, which includes discussions on: symptoms and signs associated with uPA and ePAs; Diagnosis of PD and the new DSM-V; biological etiology such as heritability and gene×environment and gene×hormonal development interactions; comparisons between laboratory and naturally occurring uPAs and ePAs; neurochemical systems that are associated with clinical PAs (e.g. gene associations; targets for triggering or treating PAs), adaptive fear and panic response concepts in the context of new NIH RDoc approach; and finally strengths and weaknesses of translational animal models of adaptive and pathological panic states