How does lj cut work

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Turkmen Turkmenistan. Vanuatu Vanuatu. Savage A TD Cutmaster ESAB Prime. Lasers are used for many purposes. One way they are used is for cutting metal plates. On mild steel, stainless steel, and aluminum plate, the laser cutting process is highly accurate, yields excellent cut quality, has a very small kerf width and small heat affect zone, and makes it possible to cut very intricate shapes and small holes. But how does light cut through a steel plate? How it works. The laser beam is a column of very high intensity light, of a single wavelength, or color.

In the case of a typical CO2 laser, that wavelength is in the Infra-Red part of the light spectrum, so it is invisible to the human eye. In our work we are going to use the CHARMM force field and its definition of the LJ function, which is slightly different from the above form within a freedom of choosing a linear constant.

The necessary parameters can be downloaded from the Web-site of Prof. Alexander D. The LJ interaction energy has the following graphical form.

LJ interaction energy in diatomic system. Here, r is the distance between atoms i and j , e ij is well depth, and R ij is generalized atomic radius computed from the radii of individual atoms:. The generalized well depth e ij is computer from combination rule using the well depth parameters assigned to individual atoms. Correspondingly, each atom in the LJ potential is defined by two parameters, R ii and e ii. In the CHARMM force field the number of parameters is actually doubled; one set of parameters is used in the case of non-bond interactions, and the other set serves the case of 1,4-interactions.

Because of that the weight parameter, w ij , is set to zero for 1,2- and 1,3-contacts, and set to unit for all other cases. Switching off the LJ potential. Since LJ energy calculation scales quadratically with the number of atoms in the system, direct calculation of all pair interactions for tens of thousand of atoms could easily become a computational bottleneck.

Because of inverse power of 6 in the attractive part of the LJ function the interaction energy is expected to rapidly decrease with the distance between the particles. Therefore in order to avoid quadratic scaling, it is reasonable to cut-off the dispersion interactions starting from some distance.

However, due to favorable character of the long-range dispersion interactions the cut-off distance should not be applied too early. In a large system encountering tens of thousands of atoms the dispersion interactions would quickly add up.

The omission of such large energy value may impair the ability of the computational model to provide computational predictions with chemical accuracy.

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