التفاصيل البيبلوغرافية
| العنوان: |
On the lattice ground state of densely packed hard ellipses. |
| المؤلفون: |
Wagner, S.1 (AUTHOR), Kahl, G.1 (AUTHOR), Melnyk, R.2 (AUTHOR), Baumketner, A.2 (AUTHOR) andrij@icmp.lviv.ua |
| المصدر: |
Journal of Chemical Physics. 4/21/2024, Vol. 160 Issue 15, p1-5. 5p. |
| مصطلحات موضوعية: |
*MONTE Carlo method, *DEGREES of freedom, *COMPUTER systems, *ENERGY policy |
| People: |
EINSTEIN, Albert, 1879-1955 |
| مستخلص: |
Among lattice configurations of densely packed hard ellipses, Monte Carlo simulations are used to identify the so-called parallel and diagonal lattices as the two favorable states. The free energies of these two states are computed for several system sizes employing the Einstein crystal method. An accurate calculation of the free energy difference between the two states reveals the parallel lattice as the state with the lowest free energy. The origin of the entropic difference between the two states is further elucidated by assessing the roles of the translational and rotational degrees of freedom. [ABSTRACT FROM AUTHOR] |
| قاعدة البيانات: |
Academic Search Index |