scholarly journals Characterizing Atomic Interactions in Interstitial Non-Stoichiometric Compounds by Statistical Thermodynamics: Engineering Usage of Estimated Values of Statistical Thermodynamic Parameters

2017 ◽  
Vol 08 (03) ◽  
pp. 365-381 ◽  
Author(s):  
Nobumitsu Shohoji
Keyword(s):  
Thermodynamic Parameters ◽  
Statistical Thermodynamics ◽  
Statistical Thermodynamic ◽  
Atomic Interactions

DFT Study on the Thermodynamic Propeties of Phenyl Substituted Silane Derivatives

2012 ◽  
Vol 550-553 ◽  
pp. 2695-2698
Author(s):  
Hui Liu ◽  
Jun Tan ◽  
Ping Sun ◽  
You Qun Zhu ◽  
Jie Chen
Keyword(s):  
Heat Capacity ◽  
Thermodynamic Parameters ◽  
Constant Pressure ◽  
Vibrational Analysis ◽  
Least Square Method ◽  
Least Square ◽  
Statistical Thermodynamic ◽  
Output File ◽  
Standard State ◽  
Analysis Calculation

The fully optimized and vibrational analysis calculation of some silane compounds containing Si-Ph bonds were carried out at the B3LYP/6-31G* level, to obtain the thermodynamic parameters of the molecules in standard state 298.15K, 1.013 × 105 Pa. Based on the output file of the Gaussian 03 program, using the statistical thermodynamic program to calculate the molar constant pressure heat capacity (Cp, m)of phenyl substituted silane derivatives from 200K to 1800K, the correlation between the Cp, m and temperature (T, T-1 and T-2) was fitted with the least square method, and what was found was that the Cp, m of series of phenyl substituted silane derivatives had a very good correlation with T, T-1 and T-2.

Pattern Identification in Complex Systems: A Statistical Thermodynamic Approach

2006 ◽  
Author(s):  
Shalabh Gupta ◽  
Abhishek Srivastav ◽  
Asok Ray
Keyword(s):  
Complex Systems ◽  
Statistical Thermodynamics ◽  
Behavioral Pattern ◽  
Pattern Identification ◽  
Sensor Data ◽  
Statistical Thermodynamic ◽  
Process Dynamics ◽  
Polycrystalline Alloy ◽  
Engineered Systems ◽  
Novel Concept

This paper presents a novel method of pattern identification in complex systems using the tools derived from statistical thermodynamics. Complexity issues arise in natural or human-engineered systems due to behavioral uncertainties and nonlinearities involved in the process dynamics. The paper introduces a novel concept of behavioral pattern identification and anomaly detection in mechanical systems from macroscopically observed time series of the available sensor data. The theme is built upon the principles of Statistical Thermodynamics and Information Theory. The efficacy of this method is experimentally validated on a laboratory apparatus where the behavioral changes accrue from the evolving fatigue damage in polycrystalline alloy structures.

scholarly journals Reality in a few thermodynamic reference frames: Statistical thermodynamics from Boltzmann via Gibbs to Einstein

2020 ◽  
Author(s):  
Vasil Dinev Penchev
Keyword(s):  
Reference Frame ◽  
Reference Frames ◽  
Statistical Thermodynamics ◽  
Statistical Thermodynamic ◽  
Scientific Theories ◽  
Common Space ◽  
Starting Point ◽  
The Subject ◽  
The Many ◽  
Selection Of

The success of a few theories in statistical thermodynamics can be correlated with their selectivity to reality. These are the theories of Boltzmann, Gibbs, end Einstein.The starting point is Carnot’s theory, which defines implicitly the general selection of reality relevant to thermodynamics. The three other theories share this selection, but specify it further in detail. Each of them separates a few main aspects within the scope of the implicit thermodynamic reality. Their success grounds on that selection. Those aspects can be represented by corresponding oppositions. These are: macroscopic – microscopic; elements – states; relational – non-relational; and observable – theoretical. They can be interpreted as axes of independent qualities constituting a common qualitative reference frame shared by those theories. Each of them can be situated in this reference frame occupying a different place. This reference frame can be interpreted as an additional selection of reality within Carnot’s initial selection describable as macroscopic and both observable and theoretical. The deduced reference frame refers implicitly to many scientific theories independent of their subject therefore defining a general and common space or subspace for scientific theories (not for all).The immediate conclusion is: The examples of a few statistical thermodynamic theories demonstrate that the concept of “reality” is changed or generalized, or even exemplified (i.e. “de-generalized”) from a theory to another.Still a few more general suggestions referring the scientific realism debate can be added: One can admit that reality in scientific theories is some partially shared common qualitative space or subspace describable by relevant oppositions and rather independent of their subject quite different in general. Many or maybe all theories can be situated in that space of reality, which should develop adding new dimensions in it for still newer and newer theories. Its division of independent subspaces can represent the many-realities conception. The subject of a theory determines some relevant subspace of reality. This represents a selection within reality, relevant to the theory in question. The success of that theory correlates essentially with the selection within reality, relevant to its subject.

scholarly journals Statistical thermodynamic foundation for mesoscale aggregation in ternary mixtures

2018 ◽  
Vol 20 (20) ◽  
pp. 13777-13784 ◽  
Author(s):  
Seishi Shimizu ◽  
Nobuyuki Matubayasi
Keyword(s):  
Differential Geometry ◽  
Statistical Thermodynamics ◽  
Ternary Mixtures ◽  
Statistical Thermodynamic ◽  
Plait Point

The origin of persistent mesoscale aggregation around the plait point has been clarified from statistical thermodynamics and differential geometry.

scholarly journals Statistical thermodynamics unveils the dissolution mechanism of cellobiose

2017 ◽  
Vol 19 (34) ◽  
pp. 23106-23112 ◽  
Author(s):  
Thomas W. J. Nicol ◽  
Noriyuki Isobe ◽  
James H. Clark ◽  
Seishi Shimizu
Keyword(s):  
Thermodynamic Analysis ◽  
Statistical Thermodynamics ◽  
Statistical Thermodynamic ◽  
Dissolution Mechanism ◽  
Molecular Scale

Statistical thermodynamic analysis of cellobiose solubility in aqueous salts sheds light on the mechanism of cellulose solubilization on a molecular scale.

Models of Thermodynamic Properties of Prominences

1979 ◽  
Vol 44 ◽  
pp. 349-355
Author(s):  
R.W. Milkey
Keyword(s):  
Thermodynamic Properties ◽  
Mass Transport ◽  
Emission Spectrum ◽  
Thermodynamic Parameters ◽  
Working Group ◽  
Physical Processes ◽  
Theoretical Concepts ◽  
Group 3 ◽  
Observational Techniques

The focus of discussion in Working Group 3 was on the Thermodynamic Properties as determined spectroscopically, including the observational techniques and the theoretical modeling of physical processes responsible for the emission spectrum. Recent advances in observational techniques and theoretical concepts make this discussion particularly timely. It is wise to remember that the determination of thermodynamic parameters is not an end in itself and that these are interesting chiefly for what they can tell us about the energetics and mass transport in prominences.

Equilibrium and Non-Equilibrium Statistical Thermodynamics

2004 ◽  
Author(s):  
Michel Le Bellac ◽  
Fabrice Mortessagne ◽  
G. George Batrouni
Keyword(s):  
Statistical Thermodynamics ◽  
Non Equilibrium
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