Langevin dynamics simulations of early-stage polymer nucleation and crystallization (Record no. 43494)
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| fixed length control field | 02148nam a2200181Ia 4500 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | MX-MdCICY |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250625140608.0 |
| 040 ## - CATALOGING SOURCE | |
| Transcribing agency | CICY |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN) | |
| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) | B-9239 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250602s9999 xx |||||s2 |||| ||und|d |
| 245 10 - TITLE STATEMENT | |
| Title | Langevin dynamics simulations of early-stage polymer nucleation and crystallization |
| 490 0# - SERIES STATEMENT | |
| Volume/sequential designation | Journal of Chemical Physics, 109, p.2336, 1998 |
| 520 3# - SUMMARY, ETC. | |
| Summary, etc. | United-atom Langevin dynamics simulations have been performed in an effort to understand early-stage polymer crystallization at the microscopic level. We have modeled the crystallization process by following the competition between the attraction among nonbonded beads and torsional energies along chain backbones. We have monitored three processes: spontaneous formation of initial nuclei and their subsequent growth in time by an isolated chain as a function of degree of undercooling, crystallization at a growth front as a function of commesurability between the thickness of the growth front and the length of crystallizing chains, and cooperative crystallization by several chains into lamellae. The details of growth kinetics here have been captured by explicit visual displays of chain conformations, radius of gyration of labeled chains and aggregates, local and global orientation order parameters, and interaction energies all as functions of time. We observe that the kinetic pathway of lamellar thickening is stepwise and quantized for small degrees of undercooling and that the lamellar thickness is inversely related to the degree of undercooling. The crystallization is found to be more efficient if chain length is an integer multiple of the thickness of the growth front. We have compared several of our key simulation results with experimentally observed results reported in the literature and found that the imulations exhibit many salient features of polymer crystallization in dilute solutions. |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Liu, C. |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Muthukumar, M. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://drive.google.com/file/d/1HTrrlbEAE_YvZXuKmRBwJ5zakE2DnXi0/view?usp=drivesdk">https://drive.google.com/file/d/1HTrrlbEAE_YvZXuKmRBwJ5zakE2DnXi0/view?usp=drivesdk</a> |
| Public note | Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Clasificación local |
| Koha item type | Documentos solicitados |
| Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Collection | Home library | Current library | Shelving location | Date acquired | Total checkouts | Full call number | Date last seen | Price effective from | Koha item type |
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| Clasificación local | Ref1 | CICY | CICY | Documento préstamo interbibliotecario | 25.06.2025 | B-9239 | 25.06.2025 | 25.06.2025 | Documentos solicitados |