Evaluation of All-Atom Force Fields for Anthracene Crystal Growth

2015 ◽  
Vol 15 (4) ◽  
pp. 1625-1633 ◽  
Author(s):  
Peter Grančič ◽  
Rita Bylsma ◽  
Hugo Meekes ◽  
Herma M. Cuppen

Author(s):  
Alex S. Clark ◽  
Sebastien Boissier ◽  
Claudio Polisseni ◽  
Samuele Grandi ◽  
Kyle Major ◽  
...  


MRS Bulletin ◽  
2009 ◽  
Vol 34 (4) ◽  
pp. 251-258 ◽  
Author(s):  
P. Rudolph ◽  
K. Kakimoto

AbstractThe present and future demands of industrial bulk crystal growth from the melt are concentrated on improved crystal quality, increased yield, and reduced costs. To meet these challenges, the size of the melt volume must be markedly increased. As a result, violent convective perturbations appear within the melts due to turbulent heat and mass flows. They disturb the single crystal growth and give rise to compositional inhomogeneities. The application of external force fields is an effective method to dampen and control these flows. After introducing different stabilizing variants, such as constant and accelerated melt rotation, mechanical vibrations, and electric current, this article focuses on the use of magnetic fields. Nonsteady fields became very popular because, in this case, the needed strength of the magnetic induction is much lower than for steady fields. A new low-energy low-cost technology that combines heat and magnetic field generation in one module placed close to the melt crucible is introduced.



Author(s):  
John W. Coleman

In the design engineering of high performance electromagnetic lenses, the direct conversion of electron optical design data into drawings for reliable hardware is oftentimes difficult, especially in terms of how to mount parts to each other, how to tolerance dimensions, and how to specify finishes. An answer to this is in the use of magnetostatic analytics, corresponding to boundary conditions for the optical design. With such models, the magnetostatic force on a test pole along the axis may be examined, and in this way one may obtain priority listings for holding dimensions, relieving stresses, etc..The development of magnetostatic models most easily proceeds from the derivation of scalar potentials of separate geometric elements. These potentials can then be conbined at will because of the superposition characteristic of conservative force fields.



Author(s):  
Necip Güven ◽  
Rodney W. Pease

Morphological features of montmorillonite aggregates in a large number of samples suggest that they may be formed by a dendritic crystal growth mechanism (i.e., tree-like growth by branching of a growth front).



Author(s):  
Joanna L. Batstone

Interest in II-VI semiconductors centres around optoelectronic device applications. The wide band gap II-VI semiconductors such as ZnS, ZnSe and ZnTe have been used in lasers and electroluminescent displays yielding room temperature blue luminescence. The narrow gap II-VI semiconductors such as CdTe and HgxCd1-x Te are currently used for infrared detectors, where the band gap can be varied continuously by changing the alloy composition x.Two major sources of precipitation can be identified in II-VI materials; (i) dopant introduction leading to local variations in concentration and subsequent precipitation and (ii) Te precipitation in ZnTe, CdTe and HgCdTe due to native point defects which arise from problems associated with stoichiometry control during crystal growth. Precipitation is observed in both bulk crystal growth and epitaxial growth and is frequently associated with segregation and precipitation at dislocations and grain boundaries. Precipitation has been observed using transmission electron microscopy (TEM) which is sensitive to local strain fields around inclusions.



Author(s):  
M. G. Lagally

It has been recognized since the earliest days of crystal growth that kinetic processes of all Kinds control the nature of the growth. As the technology of crystal growth has become ever more refined, with the advent of such atomistic processes as molecular beam epitaxy, chemical vapor deposition, sputter deposition, and plasma enhanced techniques for the creation of “crystals” as little as one or a few atomic layers thick, multilayer structures, and novel materials combinations, the need to understand the mechanisms controlling the growth process is becoming more critical. Unfortunately, available techniques have not lent themselves well to obtaining a truly microscopic picture of such processes. Because of its atomic resolution on the one hand, and the achievable wide field of view on the other (of the order of micrometers) scanning tunneling microscopy (STM) gives us this opportunity. In this talk, we briefly review the types of growth kinetics measurements that can be made using STM. The use of STM for studies of kinetics is one of the more recent applications of what is itself still a very young field.



Author(s):  
Pham V. Huong ◽  
Stéphanie Bouchet ◽  
Jean-Claude Launay

Microstructure of epitaxial layers of doped GaAs and its crystal growth dynamics on single crystal GaAs substrate were studied by Raman microspectroscopy with a Dilor OMARS instrument equipped with a 1024 photodiode multichannel detector and a ion-argon laser Spectra-Physics emitting at 514.5 nm.The spatial resolution of this technique, less than 1 μm2, allows the recording of Raman spectra at several spots in function of thickness, from the substrate to the outer deposit, including areas around the interface (Fig.l).The high anisotropy of the LO and TO Raman bands is indicative of the orientation of the epitaxial layer as well as of the structural modification in the deposit and in the substrate at the interface.With Sn doped, the epitaxial layer also presents plasmon in Raman scattering. This fact is already very well known, but we additionally observed that its frequency increases with the thickness of the deposit. For a sample with electron density 1020 cm-3, the plasmon L+ appears at 930 and 790 cm-1 near the outer surface.





1988 ◽  
Vol 156 (1) ◽  
pp. 247-256 ◽  
Author(s):  
Mireille Mossoyan-deneux ◽  
David Benlian ◽  
Andre Baldy ◽  
Marcel Pierrot


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