Semiempirical determination of the atom-surface interaction

We discuss three methods of determining V(z), the lateral average (G = 0 Fourier component) of the atom-surface interaction, from the bound state spectrum found in beam scattering. One method uses the Rydberg-Klein-Rees technique, which yields the width of the potential (i.e., separation of classical turning points) as a function of energy. This method incorporates also the known asymptotic form V ～ ?C₃z^?3, whereC₃ is derived from the polarizability and dielectric function of atom and solid, respectively. The second method uses a hybrid potential, constructed from a Morse potential with shifted zero of energy connected to the asymptotic form,?C₃z^?3, requiring continuity of V and $\text{d}\text{V}\text{d}\text{z}$. The third potential is a Lennard-Jones 3–9 interaction. Results are presented for H and He scattering from LiF and NaF.     

Concrete quantum logics with covering properties

LetL be a concrete (=set-representable) quantum logic. Letn be a natural number (or, more generally, a cardinal). We say thatL admits intrinsic coverings of the ordern, and writeL C _n , if for any pairA, BL we can find a collection {C _i iI}, where cardI<n andC _i L for anyiI, such thatA B= _il C _i . Thus, in a certain sense, ifLC _n , then the rate of noncompatibility of an arbitrary pairA,BL is less than a given numbern. In this paper we first consider general and combinatorial properties of logics ofC _n and exhibit typical examples. In particular, for a givenn we construct examples ofL C _n+1\C _n . Further, we discuss the relation of the classesC _n to other classes of logics important within the quantum theories (e.g., we discover the interesting relation to the class of logics which have an abundance of Jauch-Piron states). We then consider conditions on which a class of concrete logics reduce to Boolean algebras. We conclude with some open questions.     

Acoustic wave propagation in high-pressure system

Recently, substantial attention is paid to the development of methods of generation of pulsations in high-pressure systems to produce pulsating high-speed water jets. The reason is that the introduction of pulsations into the water jets enables to increase their cutting efficiency due to the fact that the impact pressure (so-called water-hammer pressure) generated by an impact of slug of water on the target material is considerably higher than the stagnation pressure generated by corresponding continuous jet. Special method of pulsating jet generation was developed and tested extensively under the laboratory conditions at the Institute of Geonics in Ostrava. The method is based on the action of acoustic transducer on the pressure liquid and transmission of generated acoustic waves via pressure system to the nozzle. The purpose of the paper is to present results obtained during the research oriented at the determination of acoustic wave propagation in high-pressure system. The final objective of the research is to solve the problem of transmission of acoustic waves through high-pressure water to generate pulsating jet effectively even at larger distances from the acoustic source. In order to be able to simulate numerically acoustic wave propagation in the system, it is necessary among others to determine dependence of the sound speed and second kinematical viscosity on operating pressure. Method of determination of the second kinematical viscosity and speed of sound in liquid using modal analysis of response of the tube filled with liquid to the impact was developed. The response was measured by pressure sensors placed at both ends of the tube. Results obtained and presented in the paper indicate good agreement between experimental data and values of speed of sound calculated from so-called "UNESCO equation". They also show that the value of the second kinematical viscosity of water depends on the pressure.     

Molecular dynamics simulations of the oligonucleotide with the modified phosphate/phosphonate internucleotide linkage

Impact of the internucleotide linkage modification by inserting a methylene group to the P-O bond (—O—PO ₂ ^— —O— chain changed for —O—PO ₂ ^— —CH₂—O—), on the modified oligonucleotide binding ability to the natural DNA strand was studied by molecular dynamics simulation. Complex of (dT)₁₁ with a deoxyadenosine undecamer containing alternating modified and natural internucleotide linkage was studied as a model system. The Amber force field was completed by a set of new parameters needed to model the modified part of the nucleotide. The simulations confirmed existence of a double-helical complex the melting point of which is considerably higher than 300 K. While the thymidine (unmodified) strand possesses a B-type secondary structure, the conformation of the adenosine (modified) strand is not stable at 300 K. The -ggt conformation of the modified linkages is highly preferred, temporary jumps to the -g-gt and ggt conformations were, however, observed.     

Yttrium aluminate crystals for slabs

The methods of growing YAG:Nd crystals with a flat interface and YAP:Nd crystals with a sharp conical interface are described. The form of the interface was controlled by the He and H₂O content in the reducing atmosphere composed mainly of Ar and H₂ as well as by axial temperature gradient above the melt level. The crystals of 120–180 mm in length were machined to the high-quality slabs.     

On spurious and corrupted multifractality: The effects of additive noise, short-term memory and periodic trends

We study the performance of multifractal detrended fluctuation analysis (MF-DFA) applied to long-term correlated and multifractal data records in the presence of additive white noise, short-term memory and periodicities. Such additions and disturbances that can be typically found in the observational records of various complex systems ranging from climate dynamics to physiology, network traffic, and finance. In monofractal records, we find that (i) additive white noise hardly results in spurious multifractality, but causes underestimated generalized Hurst exponents h(q) for all q values; (ii) short-range correlations lead to pronounced crossovers in the generalized fluctuation functions F_q(s) at positions that decrease with increasing moment q, thus causing significantly overestimated h(q) for small q and spurious multifractality; (iii) periodicities like seasonal trends (with standard deviations comparable with the one of the studied process) result in spurious “reversed” multifractality where h(q) increases with increasing q (except for very short time windows). We also show that in multifractal cascades moderate additions of noise, short-range memory, or periodic trends cause flawed results for h(q) with q<2, while h(q) with q>2 remains nearly unchanged.     

On the nature of the BOLD fMRI contrast mechanism

Since its development about 15 years ago, functional magnetic resonance imaging (fMRI) has become the leading research tool for mapping brain activity. The technique works by detecting the levels of oxygen in the blood, point by point, throughout the brain. In other words, it relies on a surrogate signal, resulting from changes in oxygenation, blood volume and flow, and does not directly measure neural activity. Although a relationship between changes in brain activity and blood flow has long been speculated, indirectly examined and suggested and surely anticipated and expected, the neural basis of the fMRI signal was only recently demonstrated directly in experiments using combined imaging and intracortical recordings. In the present paper, we discuss the results obtained from such combined experiments. We also discuss our current knowledge of the extracellularly measured signals of the neural processes that they represent and of the structural and functional neurovascular coupling, which links such processes with the hemodynamic changes that offer the surrogate signal that we use to map brain activity. We conclude by considering applications of invasive MRI, including injections of paramagnetic tracers for the study of connectivity in the living animal and simultaneous imaging and electrical microstimulation.     

A 43Ca and 13C NMR study of the chemical interaction between poly(ethylene-vinyl acetate) and white cement during hydration

⁴³Ca and ¹³C NMR methods were used to study the chemical interaction of poly(ethylene–vinyl acetate) (PEVAc) admixture in commercial-grade white cement. From ⁴³Ca NMR it is shown both that PEVAc induces modest changes in the hydrated cement structure, and that hydrated commercial cement is significantly more complex than models that have been used for its structure in past work. The ¹³C NMR results show that the PEVAc hydrolysis occurs early in the cement hydration acceleration period, with a rate well-fit by an exponential decay using a time constant of 6±1 days.