scholarly journals Computer Simulation Studies of the Phase Transition in Compressible Deuteroammonium Chloride

1985 ◽  
Vol 38 (5) ◽  
pp. 733
Author(s):  
Sadhana Pandey ◽  
SK Trikha
Keyword(s):  
Phase Transition ◽  
Computer Simulation ◽  
Dynamical Behaviour ◽  
Simulation Technique ◽  
Simulation Studies ◽  
Lennard Jones ◽  
Nearest Neighbours ◽  
Computer Simulation Technique ◽  
Computer Simulation Studies

The effects of pressure on the dynamical behaviour of an ND t ion near the A transition under the influence of its nearest neighbours in deuteroammonium chloride have been studied by using the computer simulation technique. The well-known Lennard Jones (6-12) potential is used as the representative interaction between ND t and CI-. The libration frequency of the ND t ion is estimated to be approximately 130 and 145 cm -1 at pressures of 1 atm and 3 kbar respectively.

scholarly journals Molecular Dynamics of the Phase Transition in Compressible Ammonium Chloride

1984 ◽  
Vol 37 (6) ◽  
pp. 667
Author(s):  
Sadhana Pandey ◽  
SK Trikha
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Computer Simulation ◽  
High Pressure ◽  
Raman Spectrum ◽  
Ammonium Chloride ◽  
Dynamical Behaviour ◽  
Lennard Jones ◽  
Nearest Neighbours ◽  
Computer Simulation Technique

The effects of pressure on the dynamical behaviour of an NH: ion near the A transition under the influence of its nearest neighbours in ammonium chloride have been studied by using the computer simulation technique. The Lennard Jones (6-12) potential is used as the representative interaction between NH: and Cl-. The present calculations reveal a decrease in entropy of the system with increasing pressure. The libration frequency of the NH: ion is estimated to be approximately 170, 182 and 210 cm -1 at pressures of 1 atm, 3 and 10 kbar respectively, in agreement with the Raman spectrum study of NH4CI at high pressure (Ebisuzaki and Nicol 1969).

scholarly journals Molecular Dynamics of the Phase Transition in Deuteroammonium Chloride

1984 ◽  
Vol 37 (1) ◽  
pp. 67
Author(s):  
Sadhana Pandey ◽  
SK Trikha
Keyword(s):  
Phase Transition ◽  
Rotational Behaviour ◽  
Lennard Jones Potential ◽  
Simulation Studies ◽  
Repulsive Potential ◽  
Jones Potential ◽  
Lennard Jones ◽  
Different Types ◽  
Before And After ◽  
Computer Simulation Studies

Computer simulation studies have been made to investigate the phase transition in ND4CI at low temperature. Two different types of potential have been used to represent the interaction between NDt and CI-: (i) the Lennard Jones potential and (ii). the twelfth inverse power or r -12 repulsive potential. The present study reveals the occurrence of a phase transition in N-D4CI in a well-defined region. The Lennard Jones potential appears to be more appropriate in depicting the two welldefined phases known as II and III in the literature. The energy pattern curves obtained in this study give us the nature of the rotational behaviour of ND:' before and after the transition at 249 K. The libration frequency of the NDt ion is estimated to be of the order of 130 em-1.

scholarly journals Rotational Motion of the NH+4 Ion in Ammonium Chloride

1984 ◽  
Vol 37 (2) ◽  
pp. 197
Author(s):  
Sadhana Pandey ◽  
SK Trikha
Keyword(s):  
Computer Simulation ◽  
Rotational Motion ◽  
Three Dimensional ◽  
Rotational Dynamics ◽  
Ammonium Ion ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones ◽  
Nearest Neighbours ◽  
Computer Simulation Technique

The rotational motion of the ammonium ion in NH4CI at low temperature under the influence of its nearest neighbours has been studied using a computer simulation technique. The Lennard Jones potential is used as the representative interaction between NHt and CI-. Three values of the time increment At occurring in the algorithm equation are taken to illustrate the three-dimensional effect on the rotational dynamics of the NH: ion. In each case we notice a well defined transition gap around = 1�25 separating phases II and III which are known from the literature. The libration frequency of the ammonium ion is found to be 1"0; 170 em-1, corresponding to the transition temperature of 242 K, which is in agreement with the Raman spectra study by Couzi et af. (1973).

scholarly journals Computer Simulation Studies of Mammalian Pyruvate Kinase

1967 ◽  
Vol 242 (9) ◽  
pp. 2124-2133 ◽  
Author(s):  
Lawrence A. Kerson ◽  
David Garfinkel ◽  
Albert S. Mildvan
Keyword(s):  
Computer Simulation ◽  
Pyruvate Kinase ◽  
Simulation Studies ◽  
Computer Simulation Studies

Computer simulation studies on electrodeposition of zinc

1993 ◽  
Vol 34 (3-4) ◽  
pp. 290-294 ◽  
Author(s):  
R. Ravi ◽  
A.Sundara Raj ◽  
Thirumalai Parthiban ◽  
G. Radhakrishnan ◽  
R. Kalidoss
Keyword(s):  
Computer Simulation ◽  
Simulation Studies ◽  
Computer Simulation Studies

A Test of Downsian Voter Rationality: 1964 Presidential Voting

1978 ◽  
Vol 72 (1) ◽  
pp. 178-197 ◽  
Author(s):  
Norman Frohlich ◽  
Joe A. Oppenheimer ◽  
Jeffrey Smith ◽  
Oran R. Young
Keyword(s):  
Computer Simulation ◽  
Factor Model ◽  
Simulation Technique ◽  
Engel Curve ◽  
Systematic Testing ◽  
Percentage Improvement ◽  
Making A Difference ◽  
Unexplained Variance ◽  
Computer Simulation Technique ◽  
Random Guess

Systematic testing of Downsian voter rationality is accomplished using a computer simulation technique on the 1964 SRC voting survey. The simulation tests both the hypotheses predicting whether an individual will vote and for whom an individual will vote. To evaluate the results of the tests we develop a statistic analogous to Pearson's r. This statistic measures the percentage improvement over a random guess technique. Utilizing this statistic, Downs explains 68.5 percent of the unexplained variance in the voters' choices of party. Three alternative interpretations of the turnout decision are then considered, each premised on a different notion of how the costs of voting are distributed among the voters. Here we use an Engel Curve technique to develop the turnout decision and explain 92 percent of the variance. The importance of the various elements of the Downsian theory are evaluated and, in contrast to some recent conjectures, the probability of making a difference on the outcome of the election is shown to have an effect on the turnout decision. Finally, to determine the viability of the results, the SRC “6 factor” model is developed in an analogous fashion and used to predict both turnout and direction of vote.

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