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Äèàãðàììû ñîñòîÿíèé ñîñòîÿò èç îáëàñòåé óñòîé÷èâîñòèêîíôîðìàöèé êëóáêà, îäíîðîäíîé æèäêîé è òâåðäîé ãëîáóëû è ðàçëè÷íûõîðèåíòàöèîííî óïîðÿäî÷åííûõ ãëîáóë, â êîòîðûõ ïîëóæåñòêèå è ãèáêèåáëîêè âñåãäà ðàçäåëåíû.Ïî ðåçóëüòàòàì ðàáîòû ìîæíî ñäåëàòü ñëåäóþùèå âûâîäû.3. Ïðîäåìîíñòðèðîâàíà âîçìîæíîñòü âíóòðèãëîáóëÿðíîãî ðàññëîåíèÿ çâåíüåâ ðàçíîãî òèïà òîëüêî çà ñ÷åò íåîäíîðîäíîãî ðàñïðåäåëåíèÿ æåñòêîñòèâ ïåðâè÷íîé ïîñëåäîâàòåëüíîñòè.4. Äëÿ ïåðåõîäà êëóáîê-ãëîáóëà â ðåãóëÿðíîì ãèáêî-æåñòêîöåïíîììóëüòèáëîê- ñîïîëèìåðå âûÿâëåí òðåíä èçìåíåíèÿ ðîäà ïåðåõîäà ñî âòîðîãî íà ïåðâûé ðîä ñ óâåëè÷åíèåì æåñòêîñòè.5. Ïîêàçàíî, ÷òî ñòðóêòóðû òèïà ÿäðî-îáîëî÷êà ñóùåñòâåííî èçìåíÿþòñÿ âçàâèñèìîñòè îò äëèíû áëîêà: äëÿ ìàëûõ äëèí áëîêà ïîëóæåñòêèå áëîêè ôîðìèðóþò ÿäðî, à ãèáêèå îáîëî÷êó.
Äëÿ áîëüøèõ äëèí áëîêîâãèáêèå áëîêè ôîðìèðóþò ÿäðî, ïîëóæåñòêèå îáîëî÷êó. Ïîäòâåðæäåíàâàæíàÿ ðîëü âíóòðèöåïíîé æåñòêîñòè äëÿ êîíôîðìàöèîííîãî ïîâåäåíèÿìóëüòèáëîê-ñîïîëèìåðîâ.6. Âûÿâëåíî è îáúÿñíåíî îòëè÷èå ðåçóëüòàòîâ äëÿ òåðìîäèíàìè÷åñêèõ âåëè÷èí ïðè èñïîëüçîâàíèè â ìèêðîêàíîíè÷åñêîì àíñàìáëå äëÿ ìóëüòèáëî÷íîé öåïè ñîïîëèìåðà äëèíîé N = 64 äâóõ ðàçëè÷íûõ îïðåäåëåíèéýíòðîïèè ïî Áîëüöìàíó è ïî Ãèááñó.
Îáúÿñíåíî íàëè÷èå îñöèëëÿöèé íàçàâèñèìîñòè ìèêðîêàíîíè÷åñêîé òåìïåðàòóðû îò ýíåðãèè â òàêîé ñèñòåìå.247. Ïðîäåìîíñòðèðîâàí ýôôåêò îò ó÷åòà íå òîëüêî êîíôîðìàöèîííîé ýíåðãèè, íî è êèíåòè÷åñêîé ýíåðãèè ïðè àíàëèçå â ìèêðîêàíîíè÷åñêîì àíñàìáëå äàííûõ ìîäåëèðîâàíèÿ ìåòîäîì Ìîíòå-Êàðëî, à òàêæå ýôôåêòîò ó÷åòà çàêîíîâ ñîõðàíåíèÿ èìïóëüñà è ìîìåíòà èìïóëüñà äëÿ ìîäåëåéòàêîãî òèïà.8. Óñòàíîâëåíî, ÷òî èñïîëüçîâàíèå ôèêñèðîâàííîé ïîëíîé ýíåðãèè âìåñòîêîíôîðìàöèîííîé ýíåðãèè ïðè àíàëèçå â ìèêðîêàíîíè÷åñêîì àíñàìáëåäàííûõ ìîäåëèðîâàíèÿ ìåòîäîì Ìîíòå-Êàðëî ïðèâîäèò ê èñ÷åçíîâåíèþàðòåôàêòîâ, ñâîéñòâåííûõ ñèñòåìàì ìàëîãî ðàçìåðà.Ðåçóëüòàòû îïóáëèêîâàíû â ñëåäóþùèõ ðàáîòàõ:Ñòàòüè â ðåöåíçèðóåìûõ æóðíàëàõ:1.
S.V. Zablotskiy, J.A. Martemyanova, V.A. Ivanov, W. Paul, Diagram of statesand morphologies of exible- semiexible copolymer chains: A Monte CarloSimulation // J. Chem. Phys. 144, 244903 (2016).2. S.V. Zablotskiy, V.A. Ivanov, W. Paul, Multi- dimensional StochasticApproximation Monte Carlo // Phys.
Rev. E 93, 063303 (2016).3. S.V. Zablotskiy, J.A. Martemyanova, V.A. Ivanov, W. Paul, StochasticApproximation Monte Carlo Algorithm for Calculation of Diagram of States ofa Single Flexible- Semiexible Copolymer Chain // Polym. Sci. A 58, 899-915(2016).4. T. Shakirov, S. Zablotskiy, A. Boeker, V. Ivanov, and W. Paul, Comparison ofBoltzmann and Gibbs entropies for the analysis of single-chain phase transitions// Eur. Phys. J.
Special Topics, 226, 705-723 (2017).Òåçèñû íà êîíôåðåíöèÿõ:5. Ñ.Â. Çàáëîöêèé, Þ.À. Ìàðòåìüÿíîâà, Â.À. Èâàíîâ, Êîìïüþòåðíîå ìîäåëèðîâàíèå ñîïîëèìåðîâ èç ãèáêèõ è æåñòêèõ áëîêîâ // XIII êîíôåðåíöèÿñòóäåíòîâ è àñïèðàíòîâ Íàó÷íî-îáðàçîâàòåëüíîãî öåíòðà ïî ôèçèêå è õèìèè ïîëèìåðîâ (Ìîñêâà, Ðîññèÿ, 29 íîÿáðÿ, 2013).256. Viktor A. Ivanov, Julia A. Martemyanova, Sergey V.
Zablotsky, WolfgangPaul, Monte Carlo computer simulation of multiblock-copolymers consistingof exible and semiexible blocks // XII International Conference onNanostructured Materials (Moscow, Russia, July 13-18, 2014).7. S.Zablotskiy,V.Ivanov, W.Paul, Diagram of states of a single multiblockexible/semiexible copolymer chain: Stochastic Approximation Monte Carlosimulation of a continuum model, Book of Abstracts of the 4-th InternationalWorkshop, Theory and Computer Simulation of Polymers: New Developments(Halle, Germany, June 28 July 01, 2015), p 57.8.
Martemyanova J., Zablotskiy S., Ivanov V., Paul W., Diagram of states of asingle multiblock exible/semiexible copolymer chain: Monte Carlo simulationof a lattice model, Book of Abstracts of the 4-th International Workshop,Theory and Computer Simulation of Polymers: New Developments (Halle,Germany, June 28 July 01, 2015), p 77.9. S. Zablotskiy, V. Ivanov, W. Paul, Stochastic Approximation Monte Carlosimulation of a single copolymer chain consisting of exible and semi-exibleblocks, Book of Abstracts of the European Polymer Congress (Dresden,Germany, June 2126, 2015), NANO-P-186.10. Màëüöåâà Ä.Â., Çàáëîöêèé Ñ.Â., Ìàðòåìüÿíîâà Þ.À., Èâàíîâ Â.A., Ðàñòÿæåíèå îäèíî÷íîé ìàêðîìîëåêóëû âáëèçè íåéòðàëüíîé è àäñîðáèðóþùåéïîâåðõíîñòè â ðàçëè÷íûõ àíñàìáëÿõ: êîìïüþòåðíîå ìîäåëèðîâàíèå ìåòîäîì Ìîíòå-Êàðëî // Ñåäüìàÿ âñåðîññèéñêàÿ Êàðãèíñêàÿ êîíôåðåíöèÿ¾Ïîëèìåðû 2017¿ (Ìîñêâà, Ðîññèÿ, 1317 èþíÿ, 2017), Ñ4-26.11. Ìàðòåìüÿíîâà Þ.À., Ìàëüöåâà Ä.Â., Çàáëîöêèé Ñ.Â., Èâàíîâ Â.À., ÏàóëüÂ., Äèàãðàììà ñîñòîÿíèé äëÿ ãèáêî-æåñòêîöåïíîé ìàêðîìîëåêóëû: ìîäåëèðîâàíèå ìåòîäîì Ìîíòå-Êàðëî // Ñåäüìàÿ âñåðîññèéñêàÿ Êàðãèíñêàÿêîíôåðåíöèÿ ¾Ïîëèìåðû 2017¿ (Ìîñêâà, Ðîññèÿ, 1317 èþíÿ, 2017),Ñ4-28.12.
Èâàíîâ Â.À., Çàáëîöêèé Ñ.Â., T. Shakirov, A. Boker, W. Paul ¾Ê âîïðî26ñó î ðàñ÷åòå ýíòðîïèè ìàëûõ ñèñòåì â êîìïüþòåðíîì ìîäåëèðîâàíèè¿// Ñåäüìàÿ âñåðîññèéñêàÿ Êàðãèíñêàÿ êîíôåðåíöèÿ ¾Ïîëèìåðû 2017¿(Ìîñêâà, Ðîññèÿ, 1317 èþíÿ, 2017).13. Daria Maltseva, Sergey Zablotskiy, Julia Martemyanova, Viktor Ivanov, TimurShakirov, Wolfgang Paul, Orientationally ordered intraglobular structures in asingle exible-semiexible copolymer chain: Stochastic Approximation MonteCarlo simulation // 14-th European conference on liquid crystals (Moscow,Russia, June 25-30, 2017), P73.14. Màëüöåâà Ä.Â., Çàáëîöêèé Ñ.Â., Ìàðòåìüÿíîâà Þ.À., Øàêèðîâ Ò.Ì.,Èçó÷åíèå ãëîáóëÿðíûõ ñòðóêòóð îäèíî÷íîé öåïè ìóëüòèáëîêñîïîëèìåðàèç ãèáêèõ è ïîëóæåñòêèõ áëîêîâ â ñåëåêòèâíîì ðàñòâîðèòåëå: êîìïüþòåðíîå ìîäåëèðîâàíèå ìåòîäîì ñòîõàñòè÷åñêîãî ïðèáëèæåíèÿ Ìîíòå-Êàðëî// Ìåæäóíàðîäíàÿ íàó÷íàÿ êîíôåðåíöèÿ ñòóäåíòîâ, àñïèðàíòîâ è ìîëîäûõ ó÷¼íûõ ¾Ëîìîíîñîâ-2017¿ (Ìîñêâà, Ðîññèÿ, 10 - 14 àïðåëÿ, 2017).27.
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