7,252 research outputs found
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-
New multi-channel electron energy analyzer with cylindrically symmetrical electrostatic field
This paper discusses an electron energy analyzer with a cylindrically
symmetrical electrostatic field, designed for rapid Auger analysis. The device
was designed and built. The best parameters of the analyzer were estimated and
then experimentally verified.Comment: 5 pages, 4 figure
Construction of Simulation Wavefunctions for Aqueous Species: D3O+
This paper investigates Monte Carlo techniques for construction of compact
wavefunctions for the internal atomic motion of the D3O+ ion. The polarization
force field models of Stillinger, et al and of Ojamae, et al. were used.
Initial pair product wavefunctions were obtained from the asymptotic high
temperature many-body density matrix after contraction to atom pairs using
Metropolis Monte Carlo. Subsequent characterization shows these pair product
wavefunctions to be well optimized for atom pair correlations despite that fact
that the predicted zero point energies are too high. The pair product
wavefunctions are suitable to use within variational Monte Carlo, including
excited states, and density matrix Monte Carlo calculations. Together with the
pair product wavefunctions, the traditional variational theorem permits
identification of wavefunction features with significant potential for further
optimization. The most important explicit correlation variable found for the
D3O+ ion was the vector triple product {\bf r}({\bf
r}{\bf r}). Variational Monte Carlo with 9 of such
explicitly correlated functions yielded a ground state wavefunction with an
error of 5-6% in the zero point energy.Comment: 17 pages including 6 figures, typos correcte
Direct observation of a hydrophobic bond in loop-closure of a capped (-OCH2CH2-)n oligomer in water
The small r variation of the probability density P(r) for end-to-end
separations of a -CH2CH3 capped (-OCH2CH2-)n oligomer in water is computed to
be closely similar to the CH4 ... CH4 potential of mean force under the same
circumstances. Since the aqueous solution CH4 ... CH4 potential of mean force
is the natural physical definition of a primitive hydrophobic bond, the present
result identifies an experimentally accessible circumstance for direct
observation of a hydrophobic bond which has not been observed previously
because of the low solubility of CH4 in water. The physical picture is that the
soluble chain molecule carries the capping groups into aqueous solution, and
permits them to find one another with reasonable frequency. Comparison with the
corresponding results without the solvent shows that hydration of the solute
oxygen atoms swells the chain molecule globule. This supports the view that the
chain molecule globule might have a secondary effect on the hydrophobic
interaction which is of first interest here. The volume of the chain molecule
globule is important for comparing the probabilities with and without solvent
because it characterizes the local concentration of capping groups. Study of
other capping groups to enable X-ray and neutron diffraction measurements of
P(r) is discussed.Comment: 4 pages, 3 figure
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