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Related Concept Videos

Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

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Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
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Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
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Updated: Jan 13, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Enhanced Premelting at the Ice-Rubber Interface Using All-Atom Molecular Dynamics Simulation.

Takumi Kojima1, Ikki Yasuda1, Takumi Sato1

  • 1Department of Mechanical Engineering, Keio University, Yokohama, Kanagawa 223-8522, Japan.

Langmuir : the ACS Journal of Surfaces and Colloids
|January 9, 2026
PubMed
Summary
This summary is machine-generated.

Hydrophobic rubber enhances ice premelting by disrupting water structure, despite polymer confinement suppressing water mobility. This molecular insight aids in designing materials for controlled ice friction and adhesion.

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Area of Science:

  • Tribology
  • Materials Science
  • Physical Chemistry

Background:

  • The ice-rubber interface is crucial for applications like tires and shoe soles.
  • Understanding the molecular tribology of this interface is essential for material design.

Purpose of the Study:

  • To investigate the molecular mechanisms of premelting at the ice-rubber interface.
  • To elucidate the role of hydrophobic polymers in ice slipperiness.

Main Methods:

  • All-atom molecular dynamics simulations were employed.
  • Simulations were conducted on the basal face of ice in contact with styrene-butadiene rubber.
  • Temperatures ranged from 254 to 269 K.

Main Results:

  • Hydrophobic rubber enhanced interfacial water disorder, promoting premelting.
  • Confinement by polymer chains suppressed water mobility, leading to glassy dynamics.
  • Near melting, rubber chains penetrated the premelting layer, creating a mixed rubber-water region.

Conclusions:

  • Nanoscale polymer properties disrupt ice hydrogen-bond networks, enhancing premelting.
  • Findings offer molecular insights into ice slipperiness.
  • Results inform the design of polymers with tunable ice adhesion and friction.