Translational density of states derived from short-time relative motions

被引:9
作者
De Santis, A
Ercoli, A
Rocca, D
机构
[1] Univ Tuscia, Fac Agr, DISA, I-01100 Viterbo, Italy
[2] Univ Tuscia, INFM, Unita Perugia, I-01100 Viterbo, Italy
[3] Univ Rome La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
[4] Univ Rome La Sapienza, INFM, Unita Roma 1, I-00185 Rome, Italy
关键词
D O I
10.1103/PhysRevLett.82.3452
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The translational dynamics of tagged pairs of molecules that are in the first coordination shell with specific relative orientations at the initial time is studied in the short-time domain. The partition of the pair angular space in orientational classes of dimer geometries allows one to detect normal modes along particular spatial directions and to select a part of the translational density of states. Applied to liquid water at 245 K, the technique yields evidence of the existence of local modes at about 60 and 230 cm(-1), and provides a tool for explaining their microscopic origin.
引用
收藏
页码:3452 / 3455
页数:4
相关论文
共 34 条
[1]  
[Anonymous], CCP5 INFORM Q
[2]   DYNAMICS OF WATER STUDIED BY COHERENT AND INCOHERENT INELASTIC NEUTRON-SCATTERING [J].
BELLISSENTFUNEL, MC ;
TEIXEIRA, J .
JOURNAL OF MOLECULAR STRUCTURE, 1991, 250 (2-4) :213-230
[3]   The role of localization in glasses and supercooled liquids [J].
Bembenek, SD ;
Laird, BB .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (13) :5199-5208
[4]   INSTANTANEOUS NORMAL-MODES AND THE GLASS-TRANSITION [J].
BEMBENEK, SD ;
LAIRD, BB .
PHYSICAL REVIEW LETTERS, 1995, 74 (06) :936-939
[5]   RAMAN-SPECTRA OF WATER IN THE TRANSLATIONAL AND LIBRATIONAL REGION .2. TEMPERATURE EVOLUTION OF THE ISOTROPIC COMPONENT [J].
BENASSI, P ;
MAZZACURATI, V ;
NARDONE, M ;
RICCI, MA ;
RUOCCO, G ;
DESANTIS, A ;
FRATTINI, R ;
SAMPOLI, M .
MOLECULAR PHYSICS, 1987, 62 (06) :1467-1481
[6]   THE SHORT-TIME DYNAMICS OF MOLECULAR LIQUIDS - INSTANTANEOUS-NORMAL-MODE THEORY [J].
BUCHNER, M ;
LADANYI, BM ;
STRATT, RM .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (11) :8522-8535
[7]   A THEORY FOR TIME-CORRELATION FUNCTIONS IN LIQUIDS [J].
CAO, JS ;
VOTH, GA .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (10) :4211-4220
[8]   INSTANTANEOUS NORMAL-MODE ANALYSIS OF LIQUID WATER [J].
CHO, M ;
FLEMING, GR ;
SAITO, S ;
OHMINE, I ;
STRATT, RM .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (09) :6672-6683
[9]  
CHU YC, 1994, HYDROGEN BOND NETWOR
[10]   Relative diffusion and memory effects in supercooled water [J].
De Santis, A ;
Ercoli, A ;
Rocca, D .
PHYSICAL REVIEW E, 1998, 57 (05) :R4871-R4874