Monte Carlo simulation of cavitation in pores with nonwetting defects.

Langmuir

Rutgers, The State University of New Jersey, Department of Chemical and Biochemical Engineering, Piscataway, New Jersey 08854, United States.

Published: March 2012

We investigate the onset of cavitation in a metastable fluid confined to nanoscale pores with nonwetting defects present. Using grand canonical and gauge cell mesocanonical Monte Carlo simulations, we study the degree of metastability (relative vapor pressure), at which the critical bubble forms in a spherical pore with a circular nonwetting defect. It is shown that an increase of the defect size leads to a transition from homogeneous to heterogeneous nucleation of critical bubbles formed at the defect site. In this case, the desorption process may be initiated at larger relative vapor pressures than those predicted by the theories of homogeneous cavitation.

Download full-text PDF

Source
http://dx.doi.org/10.1021/la300078kDOI Listing

Publication Analysis

Top Keywords

monte carlo
8
pores nonwetting
8
nonwetting defects
8
relative vapor
8
carlo simulation
4
simulation cavitation
4
cavitation pores
4
defects investigate
4
investigate onset
4
onset cavitation
4

Similar Publications

Introduction: Patient-reported outcomes are increasingly being utilized in clinical settings to identify psychological symptoms and track fluctuations over time. Some clinicians and researchers have expressed concerns about the validity of symptom questionnaires cognitively impaired populations. We sought to determine if differential item functioning (DIF) is present based on cognitive impairment using the patient reported outcomes measurement information system (PROMIS) inventories of anxiety and depression.

View Article and Find Full Text PDF

Carrier-Induced Room-Temperature Half-Metallicity in an Exfoliable Two-Dimensional Cr(TCNB) Metal-Organic Framework.

J Phys Chem Lett

January 2025

Key Laboratory of Precision and Intelligent Chemistry, School of Chemistry and Materials Science, CAS Key Laboratory of Materials for Energy Conversion, CAS Center for Excellence in Nanoscience, University of Science and Technology of China, Hefei, Anhui 230026, P.R. China.

Half-metallicity, enabling 100% spin polarization, is pivotal for spintronics but remains challenging to achieve in low-dimensional materials. Using first-principles calculations, we theoretically propose an experimentally feasible two-dimensional (2D) metal-organic framework (MOF) magnetic semiconductor, Cr(TCNB) (TCNB = 1,2,4,5-tetracyanobenzene). This monolayer can be exfoliated from a Ag(100) substrate due to its low exfoliation energy of 0.

View Article and Find Full Text PDF

Deep learning-based medical image analysis has shown strong potential in disease categorization, segmentation, detection, and even prediction. However, in high-stakes and complex domains like healthcare, the opaque nature of these models makes it challenging to trust predictions, particularly in uncertain cases. This sort of uncertainty can be crucial in medical image analysis; diabetic retinopathy is an example where even slight errors without an indication of confidence can have adverse impacts.

View Article and Find Full Text PDF

Since corrosion causes significant harm to the environment and economy, sustainable corrosion inhibitors are essential. This study set out to examine Anti-corrosion ability of a number of closely related polycyclic compounds of flavone derivatives, namely 5,7-dimethoxyflavone (1), 4',5,7-trimethoxyflavone (2), 3',4',5'-trimethoxyflavone (3), 5-hydroxy-3,3',4',7-tetramethoxyflavone (4), tangeretin (5), 3,3',4',5,6,7,8-heptamethoxyflavone (6), 3',5,7-trihydroxy-4',5',6-trimethoxyflavone (7) and 3',4',5,7-tetrahydroxy-3,6,8-trimethoxyflavone (8), using the DFT/B3LYP/6-311 + + G(d, p) basis set. Monte Carlo simulations were used to reveal the adsorption of the investigated compounds on the Cu(111) surface.

View Article and Find Full Text PDF

Our study aims to assess the robustness of myocardial radiomic texture features (RTF) to segmentation variability and variations across scanners with different field strengths, addressing concerns about reliability in clinical practices. We conducted a retrospective analysis on 45 pairs of CMR T1 maps from 15 healthy volunteers using 1.5 T and 3 T Siemens scanners.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!