9,358 research outputs found
Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol
Molecular dynamics simulations are obtained and analyzed to study pairing of
1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol, in
particular by evaluating the potential-of-mean-force between counter ions. The
present molecular model and simulation accurately predicts the dissociation
constant Kd in comparison to experiment, and thus the behavior and magnitudes
for the ion-pair pmf at molecular distances, even though the dielectric
constant of the simulated solvent differs from the experimental value by about
30%. A naive dielectric model does not capture molecule structural effects such
as multiple conformations and binding geometries of the Hmim+ and BF4-
ion-pairs. Mobilities identify multiple time-scale effects in the
autocorrelation of the random forces on the ions, and specifically a slow,
exponential time-decay of those long-ranged forces associated here with
dielectric friction effects.Comment: 5 pages, 7 figures. V2: Figs. 4 & 7 redrawn for better visual clarity
with log-scales. No change in results. In press J. Chem. Phys. 201
Origin of entropy convergence in hydrophobic hydration and protein folding
An information theory model is used to construct a molecular explanation why
hydrophobic solvation entropies measured in calorimetry of protein unfolding
converge at a common temperature. The entropy convergence follows from the weak
temperature dependence of occupancy fluctuations for molecular-scale volumes in
water. The macroscopic expression of the contrasting entropic behavior between
water and common organic solvents is the relative temperature insensitivity of
the water isothermal compressibility. The information theory model provides a
quantitative description of small molecule hydration and predicts a negative
entropy at convergence. Interpretations of entropic contributions to protein
folding should account for this result.Comment: Phys. Rev. Letts. (in press 1996), 3 pages, 3 figure
Magnetic order in the quasi-one-dimensional spin 1/2 chain, copper pyrazine dinitrate
We present the first evidence of magnetic order in the quasi-one-dimensional
spin 1/2 molecular chain compound, copper pyrazine dinitrate Cu(C4H4N2)(NO3)2}.
Zero field muon-spin relaxation measurements made at dilution refrigerator
temperatures show oscillations in the measured asymmetry, characteristic of a
quasistatic magnetic field at the muon sites. Our measurements provide
convincing evidence for long range magnetic order below a temperature
T_N=107(1) mK. This leads to an estimate of the interchain coupling constant of
|J'|/k_B=0.046 K and to a ratio |J'/J| = 4.4 x 10^-3.Comment: 4 pages, 3 figures. Submitted to Physical Review Letter
Spin-memory loss at Co/Ru interfaces
We have determined the spin-memory-loss parameter, , by
measuring the transmission of spin-triplet and spin-singlet Cooper pairs across
Co/Ru interfaces in Josephson junctions and by Current-Perpendicular-to-Plane
Giant Magnetoresistance (CPP-GMR) techniques. The probability of spin-memory
loss at the Co/Ru interface is . From the CPP-MR, we
obtain that is in good agreement with
obtained from spin-triplet transmission. For
spin-singlet transmission, we have that is
different from that obtained from CPP-GMR and spin-triplet transmission. The
source of this difference is not understood.Comment: 9 pages, 9 figure
Thermodynamic and magnetic properties of the layered triangular magnet NaNiO2
We report muon-spin rotation, heat capacity, magnetization, and ac magnetic
susceptibility measurements of the layered spin-1/2 antiferromagnet NaNiO2.
These show the onset of long-range magnetic order below T_N = 19.5K. Rapid muon
depolarization persisting to about 5K above T_N is consistent with the presence
of short-range magnetic order. The temperature and frequency dependence of the
ac susceptibility suggests that magnetic clusters persist above 25K in the
paramagnetic state and that their volume fraction decreases with increasing
temperature. A frequency dependent peak in the ac magnetic susceptibility at
T_sf = 3K is observed, consistent with a slowing of spin fluctuations at this
temperature. A partial magnetic phase diagram is deduced.Comment: 4 pages, 4 figure
Muon-spin relaxation and heat capacity measurements on the magnetoelectric and multiferroic pyroxenes LiFeSi2O6 and NaFeSi2O6
The results of muon-spin relaxation and heat capacity measurements on two
pyroxene compounds LiFeSi2O6 and NaFeSi2O6 demonstrate that despite their
underlying structural similarity the magnetic ordering is considerably
different. In LiFeSi2O6 a single muon precession frequency is observed below
TN, consistent with a single peak at TN in the heat capacity and a commensurate
magnetic structure. In applied magnetic fields the heat capacity peak splits in
two. In contrast, for natural NaFeSi2O6, where multiferroicity has been
observed in zero-magnetic-field, a rapid Gaussian depolarization is observed
showing that the magnetic structure is more complex. Synthetic NaFeSi2O6 shows
a single muon precession frequency but with a far larger damping rate than in
the lithium compound. Heat capacity measurements reproduce the phase diagrams
previously derived from other techniques and demonstrate that the magnetic
entropy is mostly associated with the build up of correlations in the
quasi-one-dimensional Fe3+ chains
A system of relational syllogistic incorporating full Boolean reasoning
We present a system of relational syllogistic, based on classical
propositional logic, having primitives of the following form:
Some A are R-related to some B;
Some A are R-related to all B;
All A are R-related to some B;
All A are R-related to all B.
Such primitives formalize sentences from natural language like `All students
read some textbooks'. Here A and B denote arbitrary sets (of objects), and R
denotes an arbitrary binary relation between objects. The language of the logic
contains only variables denoting sets, determining the class of set terms, and
variables denoting binary relations between objects, determining the class of
relational terms. Both classes of terms are closed under the standard Boolean
operations. The set of relational terms is also closed under taking the
converse of a relation. The results of the paper are the completeness theorem
with respect to the intended semantics and the computational complexity of the
satisfiability problem.Comment: Available at
http://link.springer.com/article/10.1007/s10849-012-9165-
The phase transition in the localized ferromagnet EuO probed by muSR
We report results of muon spin rotation measurements performed on the
ferromagnetic semiconductor EuO, which is one of the best approximations to a
localized ferromagnet. We argue that implanted muons are sensitive to the
internal field primarily through a combination of hyperfine and Lorentz fields.
The temperature dependences of the internal field and the relaxation rate have
been measured and are compared with previous theoretical predictions.Comment: 4 pages, 4 figure
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