Temat: 64.70.dm - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: High Resolution Density Map as the Visualization of a Larger Time Scale Molecular Dynamics
Autorzy:: Karbowniczek, P.
Powiązania:: https://bibliotekanauki.pl/articles/1189870.pdf
Data publikacji:: 2015-06
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 61.20.-p
64.70.dm
61.20.Ja
Opis:: A method of visualization of two-dimensional systems of particles in a large time scale molecular dynamics with application to the domain reorientation process in 2D Lennard-Jones system is presented. The described processing is general and can be used in comparing experimental results of atomic force microscopy with the results calculated using a computer as well as for predicting new phenomena. Domain reorientation process in 2D Lennard-Jones system approaching equilibrium is presented and confronted with the Fourier analysis of the data obtained for different initial parameters and at different states of aggregation. New border domain features accompanying this process are discussed.
Źródło:: Acta Physica Polonica A; 2015, 127, 6; 1644-1647
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 2.

Tytuł:: EXAFS Studies of Zn$\text{}_{1-x}$Mn$\text{}_{x}$S Ternary Compounds
Autorzy:: Zimnal-Starnawska, M.
Łażewski, J.
Kisiel, A.
Boscherini, F.
Pascareli, S.
Giriat, W.
Powiązania:: https://bibliotekanauki.pl/articles/1931726.pdf
Data publikacji:: 1994-11
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 78.70.Dm
87.64.Fb
Opis:: We performed extended X-ray absorption fine structure (EXAFS) measurements of Zn$\text{}_{1-x}$Mn$\text{}_{x}$S solid solution for various concentrations x in the range of 0 ≤ x ≤ 0.4. Data were collected on Zn and Mn K-edges with the use of synchrotron radiation from the ADONE storage ring in Frascati utilizing the Si(111) channel-cut monochromator. Applying the usual procedure of data reduction described elsewhere, we found well-defined different nearest-neighbor Zn-S and Mn-S distances, according to the previous results, almost independent on x. For Mn-S distances in the range of 0.1 ≤ x ≤ 1.0 we found, within the limit of experimental error, a constant value equal to 2.430±0.008 Å. For Zn-S distances for concentration changing from x = 0.0 to x = 0.4 we observed a weak, linear increase from 2.343±0.008 Å to 2.354 ± 0.008 Å, respectively.
Źródło:: Acta Physica Polonica A; 1994, 86, 5; 763-766
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 3.

Tytuł:: Computational Method of X-Ray Harmonic Elimination in EXAFS Treating
Autorzy:: Ovsjannikov, Ph. M.
Powiązania:: https://bibliotekanauki.pl/articles/1931720.pdf
Data publikacji:: 1994-11
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 87.64.Fb
78.70.Dm
Opis:: The computational method of EXAFS amplitude correction by harmonics elimination and intensity leakage assessment has been worked out. In conventional absorption measurements, the major sources of errors are the transition of harmonics by the monochromator and inevitable leakage of radiation around and (or) through the sample. In this paper we present the method of the effective corrections being based on the measurements of the intensity of X-ray radiation passed through calibrated metal foils both without and together with investigated samples. As the advantage of the method one may emphasise the fact that it does not require any additional data for the investigated samples such as chemical composition, density, table absorption coefficients.
Źródło:: Acta Physica Polonica A; 1994, 86, 5; 749-752
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 4.

Tytuł:: X-Ray Absorption Near Edge Spectroscopy of Sulfur in Biomolecules: Two Examples from Glutathione and Insulin
Autorzy:: Cinque, G.
Bellisola, G.
Colombatti, M.
Burattini, E.
Powiązania:: https://bibliotekanauki.pl/articles/2044672.pdf
Data publikacji:: 2006-03
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 78.70.Dm
87.64.Gb
Opis:: Although a minor constituent of cell and tissues, sulfur is an essential element to fulfil a wide range of biological processes, and it is present in the functional groups of many biomolecules that participate to redox reactions in vivo. Cysteine, one of the two S-containing aminoacids present in proteins, contains sulfur in fully reduced form and its thiol group can undergo a range of reactions under physiological conditions. X-ray absorption spectroscopy represents a unique tool to speciate the redox state of sulfur in biomolecules because of the known strong correlation between oxidation state and absorption edge energy shift (over 10 eV). Moreover, a rich X-ray absorption near edge structure is related to the chemical structures of S-containing biomolecules, as well as significant spectral changes due to biochemical action. The formation of a disulfide bond, i.e. a covalent linkage between the S atoms of two cysteine residues, or its reduction were investigated only indirectly in biomolecules. X-ray absorption spectroscopy experiments at the sulfur K-edge were performed at the soft X-ray beamline in Frascati using the wiggler source of the 0.51 GeV storage ring DAΦNE. X-ray absorption near edge structure data were collected to distinguish in situ between S-thiol and disulfide on model protein systems. Such preliminary results confirm this technique as a unique probe of sulfur chemistry in vivo. Quantitative speciation of S-metabolites can be foreseen in biological tissues with no chemical manipulations of the specimen.
Źródło:: Acta Physica Polonica A; 2006, 109, 3; 335-340
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 5.

Tytuł:: Extended X-Ray Absorption Fine Structure Studies of Co Doped ZnS and ZnSe Alloys
Autorzy:: Ławniczak-Jabłońska, K.
Gołacki, Z.
Powiązania:: https://bibliotekanauki.pl/articles/1931712.pdf
Data publikacji:: 1994-11
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 61.10.Lx
78.70.Dm
87.64.Fb
Opis:: X-ray absorption experiments were performed at the Kedge of Co and Zn in Zn$\text{}_{1-x}$Co$\text{}_{x}$S and Zn$\text{}_{1-n}$Co$\text{}_{x}$Se compounds with x = 0.25, 0.16, 0.10, 0.05, 0.00 in the sulphides samples and x = 0.07, 0.02, 0.00 in the selenide ones. Analysis of the extended X-ray absorption fine structure oscillations using phase and amplitudes either from McKale code or from standard samples, gave the distance, number of atoms and the Debye-Waller factors for nearest neighbours. We found that the cation-anion distances Zn-S(Se) or Co-S(Se) are systematically shorter in ZnS than in ZnSe matrix, the Zn-anion distance is always larger than the Co-anion one without any significant Co content dependence. This allowed us to estimate the covalent radius of Co in the studied matrices to be 0.025 Å smaller than the Zn covalent radius and stated that covalent radius of Co is independent of the type of surrounding atoms. In addition the Debye-Waller factors indicated a better ordering in ternary compounds than in the binary standard ones in agreement with rocking curve measurements.
Źródło:: Acta Physica Polonica A; 1994, 86, 5; 727-735
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

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