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Updated: Jan 17, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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从元动力学的coesite密集的动态路径

David Vrba1, Roman Martoňák1

  • 1Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynská Dolina F2, 84248 Bratislava, Slovakia.

The Journal of chemical physics
|September 19, 2025
PubMed
概括

高压将coesite转化为新的晶体相,如coesite-IV和八面体结构. 使用机器学习潜力的计算方法成功模拟了这些复杂的结构转换及其原子化机制.

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Reconstituting and Characterizing Actin-Microtubule Composites with Tunable Motor-Driven Dynamics and Mechanics09:10

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Published on: August 25, 2022

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Dynamic Pore-scale Reservoir-condition Imaging of Reaction in Carbonates Using Synchrotron Fast Tomography10:18

Dynamic Pore-scale Reservoir-condition Imaging of Reaction in Carbonates Using Synchrotron Fast Tomography

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相关概念视频

Kinematic Equations - II01:17

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The second kinematic equation expresses the final position of an object in terms of its initial position, the distance traveled with the initial constant velocity, and the distance traveled due to a change in velocity. Similar to the first kinematic equation, this equation is also only valid when the acceleration is constant throughout the motion of an object.
Suppose a car merges into freeway traffic on a 200 m long ramp. If its initial velocity is 10 m/s and it accelerates at 2 m/s2, then the...
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Kinematic Equations: Problem Solving

When analyzing one-dimensional motion with constant acceleration, the problem-solving strategy involves identifying the known quantities and choosing the appropriate kinematic equations to solve for the unknowns. Either one or two kinematic equations are needed to solve for the unknowns, depending on the known and unknown quantities. Generally, the number of equations required is the same as the number of unknown quantities in the given example. Two-body pursuit problems always require two...
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The first two kinematic equations have time as a variable, but the third kinematic equation is independent of time. This equation expresses final velocity as a function of the acceleration and distance over which it acts. The fourth kinematic equation does not have an acceleration term and provides the final position of the object at time t in terms of the initial and final velocities. This equation is useful when the value of the constant acceleration is unknown.
Using the kinematic equations,...
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Acyclic diene metathesis polymerization or ADMET polymerization involves cross-metathesis of terminal dienes, such as 1,8-nonadiene, to give linear unsaturated polymer and ethylene. As ADMET is a reversible process, the formed ethylene gas must be removed from the reaction mixture to complete the polymerization process.
Similar to cross-metathesis, ADMET also involves the formation of metallacyclobutane intermediate by [2+2] cycloaddition of one of the double bonds of a terminal diene with...
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When an object moves with constant acceleration, the velocity of the object changes at a constant rate throughout the motion. The kinematic equations of motions are derived for such cases where the acceleration of the object is constant. The first kinematic equation gives an insight into the relationship between velocity, acceleration, and time. We can see, for example:
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The word "gas" comes from the Flemish word meaning "chaos," first used to describe vapors by the chemist J. B. van Helmont. Consider a container filled with gas, with a continuous and random motion of molecules. During collisions, the velocity component parallel to the wall is unchanged, and the component perpendicular to the wall reverses direction but does not change in magnitude. If the molecule’s velocity changes in the x-direction, then its momentum is changed.
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