Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method

In this paper, we present Monte Carlo simulations of helium droplet pick-up experiments with the intention of developing a robust and accurate theoretical approach for interpreting experimental helium droplet calorimetry data. Our approach is capable of capturing the evaporative behavior of helium d...

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Main Authors: Matthew Dutra, Robert Hinde
Format: Article
Language:English
Published: AIP Publishing LLC 2018-04-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.5025064
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author Matthew Dutra
Robert Hinde
author_facet Matthew Dutra
Robert Hinde
author_sort Matthew Dutra
collection DOAJ
description In this paper, we present Monte Carlo simulations of helium droplet pick-up experiments with the intention of developing a robust and accurate theoretical approach for interpreting experimental helium droplet calorimetry data. Our approach is capable of capturing the evaporative behavior of helium droplets following dopant acquisition, allowing for a more realistic description of the pick-up process. Furthermore, we circumvent the traditional assumption of bulk helium behavior by utilizing density functional calculations of the size-dependent helium droplet chemical potential. The results of this new Monte Carlo technique are compared to commonly used Poisson pick-up statistics for simulations that reflect a broad range of experimental parameters. We conclude by offering an assessment of both of these theoretical approaches in the context of our observed results.
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spelling doaj.art-8045fb1204874b18b416eaab1c4bba422022-12-22T01:52:57ZengAIP Publishing LLCAIP Advances2158-32262018-04-0184045203045203-1110.1063/1.5025064070803ADVAccurate simulations of helium pick-up experiments using a rejection-free Monte Carlo methodMatthew Dutra0Robert Hinde1Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996-1600, USADepartment of Chemistry, University of Tennessee, Knoxville, Tennessee 37996-1600, USAIn this paper, we present Monte Carlo simulations of helium droplet pick-up experiments with the intention of developing a robust and accurate theoretical approach for interpreting experimental helium droplet calorimetry data. Our approach is capable of capturing the evaporative behavior of helium droplets following dopant acquisition, allowing for a more realistic description of the pick-up process. Furthermore, we circumvent the traditional assumption of bulk helium behavior by utilizing density functional calculations of the size-dependent helium droplet chemical potential. The results of this new Monte Carlo technique are compared to commonly used Poisson pick-up statistics for simulations that reflect a broad range of experimental parameters. We conclude by offering an assessment of both of these theoretical approaches in the context of our observed results.http://dx.doi.org/10.1063/1.5025064
spellingShingle Matthew Dutra
Robert Hinde
Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method
AIP Advances
title Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method
title_full Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method
title_fullStr Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method
title_full_unstemmed Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method
title_short Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method
title_sort accurate simulations of helium pick up experiments using a rejection free monte carlo method
url http://dx.doi.org/10.1063/1.5025064
work_keys_str_mv AT matthewdutra accuratesimulationsofheliumpickupexperimentsusingarejectionfreemontecarlomethod
AT roberthinde accuratesimulationsofheliumpickupexperimentsusingarejectionfreemontecarlomethod