Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Surface Tension01:24

Surface Tension

Surface tension is defined as the force per unit length (γ) acting along the surface of a liquid. It arises due to strong intermolecular forces of attraction. A molecule located inside the bulk of the liquid is surrounded by other molecules and experiences equal forces in all directions. However, a molecule at the surface experiences unbalanced forces because there are more neighboring molecules below than above. This creates a net inward force that pulls surface molecules toward the interior,...
Surface Tension and Surface Energy01:16

Surface Tension and Surface Energy

When a paint brush is immersed in water, the bristles wave freely inside the water. When it is taken out, the bristles stick together. The reason behind this effect is surface tension.
Consider a beaker filled with liquid. The bulk molecules in the liquid experience equal attractive forces on all sides with the surrounding molecules. However, the surface molecules experience a net attractive force downward due to the bulk molecules. The surface of the liquid behaves like a stretched membrane,...
Surface Tension of Fluid01:22

Surface Tension of Fluid

Surface tension is a fundamental property of fluids, occurring at the boundary between a liquid and a gas or between two immiscible liquids. This phenomenon arises from the cohesive forces between molecules at the fluid's surface, creating an effect similar to a stretched elastic membrane. Inside each fluid, molecules are equally attracted in all directions by neighboring molecules, but surface molecules experience a net inward force, resulting in surface tension.
Surface tension varies with...
Precipitation Processes01:12

Precipitation Processes

The experimental conditions in a gravimetric analysis should be optimized to maximize the particle size and purity of the obtained precipitate. Ideally, the concentration of the precipitating reagent should be low with effective stirring to maintain low relative supersaturation for the growth of large crystals. In homogeneous precipitation, the precipitant is slowly generated by a chemical reaction in the solution to avoid local reagent excesses. For example, urea decomposes gradually to...
Response Surface Methodology01:16

Response Surface Methodology

Response Surface Methodology (RSM) is a collection of statistical and mathematical techniques used to develop, improve, and optimize processes. It is particularly valuable when many input variables or factors potentially influence a response variable.
The process of RSM involves several key steps:
Modeling and Similitude01:12

Modeling and Similitude

Scaled modeling is a fundamental technique in engineering, enabling the study of large and complex systems by creating smaller, manageable replicas that recreate critical characteristics of the original. In hydrology and civil infrastructure, for example, scaled models of dams help analyze water flow, turbulence, and pressure. This method allows for accurate predictions of real-world behavior within a controlled environment, significantly reducing the cost and time involved in full-scale...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Surface sites drive Fe enrichment at reactive olivine interfaces.

Physical chemistry chemical physics : PCCP·2026
Same author

Enhanced climbing image nudged elastic band method with Hessian eigenmode alignment.

Frontiers in chemistry·2026
Same author

Orbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg States.

Journal of chemical theory and computation·2026
Same author

Viscosity as a Smoking Gun for Complex Formation in Solution: Fe<sup>2+</sup> and Mg<sup>2+</sup> Chlorides as Examples.

The journal of physical chemistry. B·2026
Same author

Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
Same author

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice.

Small methods·2026

Related Experiment Video

Updated: Jun 5, 2026

Exploring the Effects of Atmospheric Forcings on Evaporation: Experimental Integration of the Atmospheric Boundary Layer and Shallow Subsurface
13:27

Exploring the Effects of Atmospheric Forcings on Evaporation: Experimental Integration of the Atmospheric Boundary Layer and Shallow Subsurface

Published on: June 8, 2015

Simulation of surface processes.

Hannes Jónsson1

  • 1Faculty of Science and Science Institute, University of Iceland, 107 Reykjavík, Iceland. hj@hi.is

Proceedings of the National Academy of Sciences of the United States of America
|January 5, 2011
PubMed
Summary
This summary is machine-generated.

Computer simulations offer insights into atomic-scale surface processes. New methods, like orbital density-dependent functionals and adaptive kinetic Monte Carlo, are needed for complex systems and long-timescale transitions.

More Related Videos

Visualizing Hyporheic Flow Through Bedforms Using Dye Experiments and Simulation
09:49

Visualizing Hyporheic Flow Through Bedforms Using Dye Experiments and Simulation

Published on: November 18, 2015

High-speed Particle Image Velocimetry Near Surfaces
11:59

High-speed Particle Image Velocimetry Near Surfaces

Published on: June 24, 2013

Related Experiment Videos

Last Updated: Jun 5, 2026

Exploring the Effects of Atmospheric Forcings on Evaporation: Experimental Integration of the Atmospheric Boundary Layer and Shallow Subsurface
13:27

Exploring the Effects of Atmospheric Forcings on Evaporation: Experimental Integration of the Atmospheric Boundary Layer and Shallow Subsurface

Published on: June 8, 2015

Visualizing Hyporheic Flow Through Bedforms Using Dye Experiments and Simulation
09:49

Visualizing Hyporheic Flow Through Bedforms Using Dye Experiments and Simulation

Published on: November 18, 2015

High-speed Particle Image Velocimetry Near Surfaces
11:59

High-speed Particle Image Velocimetry Near Surfaces

Published on: June 24, 2013

Area of Science:

  • Computational materials science
  • Surface science
  • Theoretical chemistry

Background:

  • Computer simulations are crucial for understanding atomic-scale surface processes.
  • Current methods like Kohn-Sham density functional theory (KS-DFT) have limitations for complex systems.
  • Simulating long-timescale events like diffusion and reactions is computationally challenging.

Purpose of the Study:

  • To review common simulation approaches for surface processes.
  • To identify limitations and suggest improvements for atomic-scale simulations.
  • To explore new computational tools for complex systems and long-timescale phenomena.

Main Methods:

  • Review of gradient-dependent functionals in Kohn-Sham density functional theory.
  • Exploration of orbital density-dependent functionals.
  • Discussion of classical dynamics and adaptive kinetic Monte Carlo (aKMC) methods.
  • Application of transition state theory.

Main Results:

  • Gradient-dependent functionals in KS-DFT are successful but insufficient for localized states and band gaps in large systems.
  • Orbital density-dependent functionals show promise but require new numerical methods and code modifications.
  • Direct classical dynamics simulations are inadequate for long-timescale transitions due to large free energy barriers.
  • Adaptive kinetic Monte Carlo, based on transition state theory, offers an alternative for simulating diffusion and reactions.

Conclusions:

  • Advanced theoretical descriptions, such as orbital density-dependent functionals, are necessary for accurate simulations of complex surface phenomena.
  • New numerical methods and algorithms, like extensions to adaptive kinetic Monte Carlo, are vital for overcoming timescale limitations in surface process simulations.
  • Future work should focus on developing robust computational tools capable of handling quantum mechanical tunneling and complex energy landscapes.