Changing shape

NVT, and in die course of the simulation the volume V of the simulation box is allowed to vary, according to the new equations of motion. A usefid variant allows the simulation box to change shape as well as size [89, 90], It is also possible to extend the Liouville operator-splitting approach to generate algoritlnns for MD in these ensembles examples of explicit, reversible, integrators are given by Martyna et al [91],... 

Singly, these functions provide a worse description of the wave function than the thawed ones described above. Not requiring the propagation of the width matrix is, however, a significant simplification, and it was hoped that collectively the frozen Gaussian functions provide a good description of the changing shape of the wave function by their relative motions. 

Split valence basis sets allow orbitals to change size, but not to change shape. Polarized basis sets remove this limitation by adding orbitals with angular momentum beyond what is required for the ground state to the description of each atom. For example, polarized basis sets add d functions to carbon atoms and f functions to transition metals, and some of them add p functions to hydrogen atoms. 

Velocity vectors of the gas flow measured using laser Doppler anemometry inside a closed chamber during the formation of a tulip flame. Images of the flame are also shown, though the velocity measurements required many repeated runs, hence, the image is only representative. The chamber has square cross sections of 38.1mm on the side. The traces in the velocity fields are the flame locations based on velocity data dropout. The vorticity generated as the flame changes shape appears clearly in the velocity vectors. 

Gaseous state can change shape A state in which a substance has no definite volume or shape... 

Platelets adherent to collagen change shape and spread out on the subendothelium. They release the contents of their storage granules (the dense granules and the alpha granules) secretion is also stimulated by thrombin. 

Matter can also be categorized into three distinct phases solid, liquid, and gas. An object that is solid has a definite shape and volume that cannot be changed easily. Trees, automobiles, ice, and coffee mugs are all in the solid phase. Matter that is liquid has a definite volume but changes shape quite easily. A liquid flows to take on the shape of its container. Gasoline, water, and cooking oil are examples of common liquids. Solids and liquids are termed condensed phases because of their well-defined volumes. A gas has neither specific shape nor constant volume. A gas expands or contracts as its container expands or contracts. Helium balloons are filled with helium gas, and the Earth s atmosphere is made up of gas that flows continually from place to place. Molecular pictures that illustrate the three phases of matter appear in Figure 1-12. 

When a metal changes shape, its atoms shift position. However, because the valence electrons are fully delocalized, the energy of these electrons is unaffected. 

KovalyovEV, Resnyanskii ED, Elokhin VI, Bal zhinimaev BS, Myshlyavtsev AV. 2003. Novel statistical lattice model for the supported nanoparticle. Features of the reaction performance influenced by the dynamically changed shape and surface morphology of the supported active particle. Phys Chem Chem Phys 5 784-790. 

Figure 9.22. The geometries in Figure 9.21 located in the cone which changes shape along the conical intersection hyperline (adapted from reference 14). See color insert.

Flexible membrane. In this arrangement, the roof changes shape to stop the vapor space breathing to atmosphere, as shown in Figure 25.3c. 

Myosin, actin Contract and change shape Food... 

In many applications we consider the yield point of a polymer to be its point of failure. We base this definition on whether the material is still fit for its end use once it has yielded. Thus, if the teeth on a polymer gear wheel yield, they will change shape and may become useless. Alternatively, packaging film may yield, but still maintain its barrier properties and be fit for continued use. 

The technique described in Section 11.5.2 above can be employed to create biological signaling units with protein biosensors [62, 63], changing shape upon binding of a ligand—for example, calcium or chloride [64]—and thereby changing relative conformation and FRET efficiency [65], Alternatively, synthetic dyes, which change decay profile in a predictable manner dependent on environment, can be employed. 

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