Search results
Results from the WOW.Com Content Network
In social science, force-field analysis provides a framework for looking at the factors ("forces") that influence a situation, originally social situations. It looks at forces that are either driving the movement toward a goal (helping forces) or blocking movement toward a goal (hindering forces).
Part of force field of ethane for the C-C stretching bond. In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between molecules as well as in crystals.
In physics, a force field is a vector field corresponding with a non-contact force acting on a particle at various positions in space. Specifically, a force field is a vector field F {\displaystyle \mathbf {F} } , where F ( r ) {\displaystyle \mathbf {F} (\mathbf {r} )} is the force that a particle would feel if it were at the position r ...
Force field (chemistry), a set of parameter and equations for use in molecular mechanics simulations Force field (physics) , a vector field indicating the forces exerted by one object on another Force field (technology) , a barrier made up of energy, plasma or particles to protect a person, area or object from attacks or intrusions or as a ...
A force field is used to minimize the bond stretching energy of this ethane molecule.. Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields.
To be able to deal with bond breaking and formation whilst having only 1 single atom type for each element, ReaxFF is a fairly complex force field with many parameters. [2] Therefore an extensive training set is necessary covering the relevant chemical phase space, including bond and angle stretches, activation and reaction energies, equation ...
Some force fields may be combined, for example CHARMM22 and CHARMM27 for the simulation of protein-DNA binding. Also, parameters for NAD+, sugars, fluorinated compounds, etc., may be downloaded. These force field version numbers refer to the CHARMM version where they first appeared, but may of course be used with subsequent versions of the ...
(It may be necessary to calculate the stress to which it is subjected, for example.) On the right, the red cylinder has become the free body. In figure 2, the interest has shifted to just the left half of the red cylinder and so now it is the free body on the right. The example illustrates the context sensitivity of the term "free body".