Burnup measurement error analysis of HTR fuel spheres using ab-initio Monte-Carlo simulations

2020 ◽  
Vol 363 ◽  
pp. 110631 ◽  
Author(s):  
Heinz Nabielek ◽  
Malin Liu ◽  
Bing Liu
Keyword(s):  
Monte Carlo ◽  
Measurement Error ◽  
Error Analysis ◽  
Monte Carlo Simulations ◽  
Ab Initio

Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms

2017 ◽  
Vol 19 (12) ◽  
pp. 8307-8321 ◽  
Author(s):  
Dennis Kuchenbecker ◽  
Felix Uhl ◽  
Harald Forbert ◽  
Georg Jansen ◽  
Dominik Marx
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Path Integral ◽  
Interaction Potential ◽  
Stationary Point ◽  
Path Integral Monte Carlo ◽  
Interaction Potentials ◽  
Helium Atoms

An ab initio-derived interaction potential is derived and used in path integral Monte Carlo simulations to investigate stationary-point structures of CH5+ microsolvated by up to four helium atoms.

Magnetic Phase Diagram of Transition Metal Doped ZnO from Density Functional Theory Calculations and Monte Carlo Simulations

2010 ◽  
Vol 1260 ◽  
Author(s):  
Sanjeev K. Nayak ◽  
Heike C. Herper ◽  
Peter Entel
Keyword(s):  
Monte Carlo ◽  
Curie Temperature ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Density Functional ◽  
Magnetic Phase Diagram ◽  
Density Functional Theory Calculations ◽  
Antiferromagnetic Coupling ◽  
Doped Zno ◽  
Co Concentrations

AbstractTransition metals doped ZnO are possible candidates for multiferroics. Here, we have investigated the evolution of ferromagnetism due to Co dopants. The magnetic properties have been studied for Co concentrations from 0 to 100% by using ab-initio methods, i.e., KKR Green's function techniques. In order to estimate the Curie temperature we have performed Monte Carlo simulations with ab-initio calculated exchange parameters.From our calculations the onset of ferromagnetism occurs between 5 to 20% of Co depending on the numerical details of KKR method used. For Co concentrations larger than 50% the system is dominated by antiferromagnetic coupling and no Curie temperature can be obtained.

scholarly journals An Updated Guideline for Assessing Discriminant Validity

2020 ◽  
pp. 109442812096861
Author(s):  
Mikko Rönkkö ◽  
Eunseong Cho
Keyword(s):  
Monte Carlo ◽  
Measurement Error ◽  
Monte Carlo Simulations ◽  
Empirical Research ◽  
Discriminant Validity ◽  
Ad Hoc ◽  
Validity Assessment ◽  
Two Measures ◽  
Definition Of

Discriminant validity was originally presented as a set of empirical criteria that can be assessed from multitrait-multimethod (MTMM) matrices. Because datasets used by applied researchers rarely lend themselves to MTMM analysis, the need to assess discriminant validity in empirical research has led to the introduction of numerous techniques, some of which have been introduced in an ad hoc manner and without rigorous methodological support. We review various definitions of and techniques for assessing discriminant validity and provide a generalized definition of discriminant validity based on the correlation between two measures after measurement error has been considered. We then review techniques that have been proposed for discriminant validity assessment, demonstrating some problems and equivalencies of these techniques that have gone unnoticed by prior research. After conducting Monte Carlo simulations that compare the techniques, we present techniques called CICFA(sys) and [Formula: see text](sys) that applied researchers can use to assess discriminant validity.

scholarly journals Testing for the presence of measurement error in Stata

2020 ◽  
Vol 20 (2) ◽  
pp. 382-404
Author(s):  
Young Jun Lee ◽  
Daniel Wilhelm
Keyword(s):  
Monte Carlo ◽  
Measurement Error ◽  
Monte Carlo Simulations ◽  
Nonparametric Test ◽  
Parametric Models ◽  
Empirical Application ◽  
Explanatory Variables ◽  
Working Paper ◽  
Linear Regressions

In this article, we describe how to test for the presence of measurement error in explanatory variables. First, we discuss the test of such hypotheses in parametric models such as linear regressions and then introduce a new command, dgmtest, for a nonparametric test proposed in Wilhelm (2018, Working Paper CWP45/18, Centre for Microdata Methods and Practice, Institute for Fiscal Studies). To illustrate the new command, we provide Monte Carlo simulations and an empirical application to testing for measurement error in administrative earnings data.

scholarly journals Ab initio Gibbs ensemble Monte Carlo simulations of the liquid–vapor equilibrium and the critical point of sodium

2021 ◽  
Vol 23 (1) ◽  
pp. 311-319
Author(s):  
Zhi Li ◽  
Christophe Winisdoerffer ◽  
François Soubiran ◽  
Razvan Caracas
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Electronic States ◽  
Gibbs Ensemble ◽  
Metallic System ◽  
Excited Electronic States ◽  
Ensemble Monte Carlo ◽  
Vapor Equilibrium ◽  
Gibbs Ensemble Monte Carlo

We extend the application of the ab initio Gibbs ensemble method to the metallic system by including the contribution of excited electronic states.

A Theoretical Study of the Hydration of Li+ by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials

2006 ◽  
Vol 115 (2-3) ◽  
pp. 177-189 ◽  
Author(s):  
María Luisa San-Román ◽  
Mauricio Carrillo-Tripp ◽  
Humberto Saint-Martin ◽  
Jorge Hernández-Cobos ◽  
Iván Ortega-Blake
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Theoretical Study ◽  
Model Potentials
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