scholarly journals A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon

2020 ◽  
Vol 22 (19) ◽  
pp. 10882-10892
Author(s):  
M. N. Guimarães ◽  
M. M. de Almeida ◽  
J. M. C. Marques ◽  
F. V. Prudente
Keyword(s):  
Heat Capacity ◽  
Monte Carlo ◽  
Parallel Tempering ◽  
Rare Gas ◽  
Capacity Curve ◽  
Monte Carlo Calculations ◽  
Heat Capacity Curve ◽  
Two Peaks

Parallel tempering Monte Carlo calculations on the Li+Arn microsolvation clusters have shown that the two peaks appearing in the heat capacity curve as a function of temperature correspond to the melting of the second and first solvation shells.

Reactions of 88Sr with protons of energies7–85 MeV

1967 ◽  
Vol 45 (10) ◽  
pp. 1149-1160 ◽  
Author(s):  
D. R. Sachdev ◽  
N. T. Porile ◽  
L. Yaffe
Keyword(s):  
Monte Carlo ◽  
Compound Nucleus ◽  
Cross Sections ◽  
Experimental Results ◽  
Excitation Functions ◽  
Monte Carlo Calculations ◽  
High Energies ◽  
The Individual ◽  
Two Peaks ◽  
Evaporation Stage

Excitation functions for the (p,xn) (x = 1–5), (p,p3n), and (p,2pxn) (x = 1, 3, 4) reactions induced in 88Sr by protons of energy from 7 to 85 MeV have been measured by radiochemical methods. Cross sections for the individual isomeric species for the products of (p,2n), (p,3n), (p,4n), and (p,p3n) reactions are also presented.Excitation functions for each of the (p,2p3n) and (p,2p4n) reactions exhibit two peaks, the first of which is assigned to (p,α n) or (p,α 2n) reactions from threshold considerations. The experimental results are compared with Monte Carlo calculations using the codes of Chen et al. for the cascade stage and Dostrovsky et al. for the evaporation stage. The comparison suggests that the calculations of Chen et al. overestimate the extent of compound nucleus contribution at high energies.

Phase transitions in free water nanoparticles. Theoretical modeling of [H2O]48 and [H2O]118

2015 ◽  
Vol 17 (16) ◽  
pp. 10532-10537 ◽  
Author(s):  
Aleš Vítek ◽  
René Kalus
Keyword(s):  
Heat Capacity ◽  
Monte Carlo ◽  
Phase Transitions ◽  
Monte Carlo Simulations ◽  
Free Water ◽  
Theoretical Modeling ◽  
Parallel Tempering ◽  
Two Dimensional ◽  
Histogram Method

Classical parallel-tempering Monte Carlo simulations of [H2O]48 and [H2O]118 have been performed in the isothermal–isobaric ensemble and a two-dimensional multiple-histogram method has been used to calculate the heat capacity of the two clusters.

The entropy of zinc chromite (ZnCr2O4)

2004 ◽  
Vol 68 (3) ◽  
pp. 515-522 ◽  
Author(s):  
S. Klemme ◽  
J. C. van Miltenburg
Keyword(s):  
Heat Capacity ◽  
Low Temperature ◽  
Adiabatic Calorimetry ◽  
Standard Entropy ◽  
Capacity Curve ◽  
Heat Capacity Curve ◽  
Calorimetric Measurements ◽  
Temperature Heat ◽  
Low Temperature Heat Capacity ◽  
Zinc Chromite

AbstractThe low-temperature heat capacity of zinc chromite (ZnCr2O4) was measured between 6.5 K and 400 K using adiabatic calorimetry, and some thermochemical functions (CP(T),S(T), S°298,H(T)-H(0)) were derived from the results. The standard entropy (S°298= 128.6±0.3 J mol-1K-1) for zinc chromite was calculated from the results. Our calorimetric measurements indicate one extremely large anomaly in the heat capacity curve at ∼12.3 K which is related to the cubic-tetragonal transition in ZnCr2O4.

THE SPECIFIC HEAT OF MONEL METAL BETWEEN − 183° AND 25 °C.

1932 ◽  
Vol 7 (6) ◽  
pp. 677-679 ◽  
Author(s):  
W. F. Hampton ◽  
J. H. Mennie
Keyword(s):  
Heat Capacity ◽  
Specific Heat ◽  
Adiabatic Calorimeter ◽  
Capacity Curve ◽  
Heat Capacity Curve ◽  
Monel Metal

The heat capacity of Monel metal over the range − 183° to 25 °C. has been measured in an adiabatic calorimeter. By differentiation of the equation representing the heat capacity curve, an equation for the specific heat over this range is obtained and values at various temperatures calculated. The specific heat at 20 °C. is found to be 0.0997.

Monte Carlo calculations on rare-gas crystals

1977 ◽  
Vol 34 (1) ◽  
pp. 1-19 ◽  
Author(s):  
D.N. Card ◽  
P.W.M. Jacobs
Keyword(s):  
Monte Carlo ◽  
Rare Gas ◽  
Monte Carlo Calculations

HEAT CAPACITY OF 13- AND 19-ATOM PD–CO BINARY CLUSTERS: PARALLEL TEMPERING MONTE CARLO STUDY

2009 ◽  
Vol 20 (11) ◽  
pp. 1737-1747 ◽  
Author(s):  
HAYDAR ARSLAN ◽  
ALI EKBER IRMAK
Keyword(s):  
Heat Capacity ◽  
Monte Carlo ◽  
Monte Carlo Study ◽  
Parallel Tempering ◽  
Many Body ◽  
Atom Cluster ◽  
Binary Clusters ◽  
Body Potential ◽  
Two Stages ◽  
Bulk Alloys

Alloy nanoclusters are of interest because of their novel properties compared to bulk alloys. In this study, the thermal behavior of 13- and 19-atom Pd–Co binary clusters has been investigated by parallel tempering Monte Carlo technique using the Sutton–Chen many body potential. Clear changes in heat capacity curve are observed as a function of Pd–Co composition. We also found that, the 13-atom cluster melts in two stages and 19-atom cluster melts as a whole.

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