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1

A molecular dynamics study on iridium

100%

Ferah G., Colakoglu K., Ciftci Y., Ozgen S., Kazanc S.

Open Physics

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2007

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vol. 5

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issue 2

207-220

EN

In this study, molecular dynamics simulations are performed by using a modified form of Morse potential function in the framework of the Embedded Atom Method (EAM). Temperature-and pressure-dependent behaviours of bulk modulus, second-order elastic constants (SOEC), and the linear-thermal expansion coefficient is calculated and compared with the available experimental data. The melting temperature is estimated from 3 different plots. The obtained results are in agreement with the available experimental findings for iridium.

2

3D Computer Models of the Ag-Sb-Sn and MgO-Al₂O₃-SiO₂ T-x-y Diagrams

88%

Lutsyk V., Vorob'eva V., Zelenaya A.

Acta Physica Polonica A

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2018

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vol. 133

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issue 4

763-766

EN

Three-dimensional (3D) computer models of Ag-Sb-Sn and MgO-Al₂O₃-SiO₂ systems T-x-y diagrams have been designed. For the metal system two versions of 3D model of its phase diagram have been constructed according to the contradictions in the temperature intervals of the compound Sb₂Sn₃ stability. Possibilities of the analysis of the stages of crystallization and prediction of microstructural constituents with the aid of the calculation of vertical mass balance diagrams are demonstrated on the basis of the 3D computer model for the oxide system.

3

Square Ising Nanowire on the Bethe Lattice

88%

Albayrak E.

Acta Physica Polonica A

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2017

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vol. 131

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issue 6

1470-1473

EN

The square-type nanowire is simulated on the Bethe lattice by using the core-shell structure consisting of the Ising spins. A nanoparticle is formed by placing a spin to the center and four others to the corners of a square. Then, each nanoparticle is combined with two neighboring ones with a perfect alignment of the squares to form the nanowire. Only nearest-neighbor spin interactions, either ferromagnetic or antiferromagnetic type, are allowed. The phase diagrams are calculated by studying the thermal variations of magnetizations for various values of bilinear interactions. It is found that the model gives both second- and first-order phase transitions in addition to the tricritical points and compensation temperatures.

4

Determination of phase diagrams and thermoseparation behaviour of aqueous two-phase systems composed of ethylene oxide–propylene oxide random copolymer and potassium phosphate

88%

Dembczyński R., Białas W., Jankowski T.

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vol. 33

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issue 3

411-429

EN

The application of aqueous two-phase systems (ATPS) is a cost-effective and simple method of protein separation (including enzymes) from complex systems. The first stage of designing the protein purification process in an ATPS involves the identification of the conditions for the formation of a given extraction system. For this purpose, the conditions for the formation of ATPSs in a thermoseparating EO50PO50 polymer/potassium phosphates system have been studied. Factors determining the ATPS formation comprised: separation temperature (4ºC or 20ºC), phosphate solution pH (6, 7.5 or 9) as well as the concentration of NaCl introduced into the systems (0.085 M, 0.475 M and 0.85 M). ATPS without NaCl were prepared as well. The conditions for the formation of the primary EO50PO50/potassium phosphate ATPS were determined with their phase diagrams. It was observed that with an increase of phosphate pH and NaCl concentration in the system, there was a decrease of the EO50PO50 and phosphate concentrations necessary to form a primary ATPS. After the primary two-phase separation, the top phase (rich in the EO50PO50 polymer) was partitioned from the bottom phase (rich in phosphates). Next, by means of polymer phase thermoseparation, a secondary two-phase system was formed. In the secondary EO50PO50/phosphate ATPS, the bottom phase was formed by the concentrated EO50PO50 polymer (30-80% concentration), while the top phase by a solution composed mainly of water, containing phosphate ions and remains of EO50PO50 polymer (3-7%).

5

Thermodynamic Description of Ternary Fe-B-X Systems. Part 9: Fe-B-Cu

75%

Miettinen J., Visuri V.-V., Fabritius T., Miettinen J., Visuri V.-V., Fabritius T.

Archives of Metallurgy and Materials

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2021

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vol. 66

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issue 1

6

Thermodynamic Description of Ternary Fe-B-X Systems. Part 7: Fe-B-C

75%

Miettinen J., Visuri V.-V., Fabritius T., Vassilev G., Miettinen J., Visuri V.-V., Fabritius T., Vassilev G.

Archives of Metallurgy and Materials

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2020

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vol. 65

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issue 2

7

Thermodynamic Description of Ternary Fe-B-X Systems. Part 5: Fe-B-Si

75%

Miettinen J., V-V V., Fabritius T., Milcheva N., Vassilev G., Miettinen J., V-V V., Fabritius T., Milcheva N., Vassilev G.

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issue 4

8

Thermodynamic Description of Ternary Fe-B-X Systems. Part 6: Fe-B-Ti

75%

Miettinen J., V-V V., Fabritius T., Milcheva N., Vassilev G., Miettinen J., V-V V., Fabritius T., Milcheva N., Vassilev G.

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issue 4

9

Determination of phase diagrams and thermoseparation behaviour of aqueous two-phase systems composed of ethylene oxide–propylene oxide random copolymer and potassium phosphate

75%

Dembczyński R., Białas W., Jankowski T.

Chemical and Process Engineering

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2012

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issue 3

10

Thermodynamic Description of Ternary FE-B-X Systems. Part 4: FE-B-V

75%

Miettinen J., Visuri V.-V., Fabritius T., Milcheva N., Vassilev G.

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issue 2

11

Thermodynamic Description of Ternary Fe-B-X Systems. Part 8: Fe-B-Mo, with Extension to Quaternary Fe-B-Cr-Mo System

63%

Miettinen J., Visuri V.-V., Fabritius T., Miettinen J., Visuri V.-V., Fabritius T.

Archives of Metallurgy and Materials

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2021

|

vol. 66

|

issue 1

Refine search results

A molecular dynamics study on iridium

3D Computer Models of the Ag-Sb-Sn and MgO-Al₂O₃-SiO₂ T-x-y Diagrams

Square Ising Nanowire on the Bethe Lattice

Determination of phase diagrams and thermoseparation behaviour of aqueous two-phase systems composed of ethylene oxide–propylene oxide random copolymer and potassium phosphate

Thermodynamic Description of Ternary Fe-B-X Systems. Part 9: Fe-B-Cu

Thermodynamic Description of Ternary Fe-B-X Systems. Part 7: Fe-B-C

Thermodynamic Description of Ternary Fe-B-X Systems. Part 5: Fe-B-Si

Thermodynamic Description of Ternary Fe-B-X Systems. Part 6: Fe-B-Ti

Determination of phase diagrams and thermoseparation behaviour of aqueous two-phase systems composed of ethylene oxide–propylene oxide random copolymer and potassium phosphate

Thermodynamic Description of Ternary FE-B-X Systems. Part 4: FE-B-V

Thermodynamic Description of Ternary Fe-B-X Systems. Part 8: Fe-B-Mo, with Extension to Quaternary Fe-B-Cr-Mo System