Dislocation constriction and cross-slip in Al and Ag: an ab initio study

A novel model based on the Peierls framework of dislocations is developed. The new theory can deal with a dislocation spreading at more than one slip planes. As an example, we study dislocation cross-slip and constriction process of two fcc metals, Al and Ag. The energetic parameters entering the model are determined from ab initio calculations. We find that the screw dislocation in Al can cross-slip spontaneously in contrast with that in Ag, which splits into partials and cannot cross-slip without first being constricted. The dislocation response to an external stress is examined in detail. We determine dislocation constriction energy and critical stress for cross-slip, and from the latter, we estimate the cross-slip energy barrier for the straight screw dislocations

Generalized stacking fault energy surfaces and dislocation properties of aluminum

We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles Density Functional Theory (DFT) with pseudopotentials and the embedded atom method (EAM). Various core properties, including the core width, splitting behavior, energetics and Peierls stress for different dislocations have been investigated. The correlation between the core energetics and dislocation character has been explored. Our results reveal a simple relationship between the Peierls stress and the ratio between the core width and atomic spacing. The dependence of the core properties on the two methods for calculating the total energy (DFT vs. EAM) has been examined. The EAM can give gross trends for various dislocation properties but fails to predict the finer core structures, which in turn can affect the Peierls stress significantly (about one order of magnitude).Comment: 25 pages, 12 figure

Vicinal Surfaces and the Calogero-Sutherland Model

A miscut (vicinal) crystal surface can be regarded as an array of meandering but non-crossing steps. Interactions between the steps are shown to induce a faceting transition of the surface between a homogeneous Luttinger liquid state and a low-temperature regime consisting of local step clusters in coexistence with ideal facets. This morphological transition is governed by a hitherto neglected critical line of the well-known Calogero-Sutherland model. Its exact solution yields expressions for measurable quantities that compare favorably with recent experiments on Si surfaces.Comment: 4 pages, revtex, 2 figures (.eps

Dislocation Kinks in Copper: Widths, Barriers, Effective Masses, and Quantum Tunneling

We calculate the widths, migration barriers, effective masses, and quantum tunneling rates of kinks and jogs in extended screw dislocations in copper, using an effective medium theory interatomic potential. The energy barriers and effective masses for moving a unit jog one lattice constant are close to typical atomic energies and masses: tunneling will be rare. The energy barriers and effective masses for the motion of kinks are unexpectedly small due to the spreading of the kinks over a large number of atoms. The effective masses of the kinks are so small that quantum fluctuations will be important. We discuss implications for quantum creep, kink--based tunneling centers, and Kondo resonances

Using the Wigner-Ibach Surmise to Analyze Terrace-Width Distributions: History, User's Guide, and Advances

A history is given of the applications of the simple expression generalized from the surmise by Wigner and also by Ibach to extract the strength of the interaction between steps on a vicinal surface, via the terrace width distribution (TWD). A concise guide for use with experiments and a summary of some recent extensions are provided.Comment: 11 pages, 4 figures, reformatted (with revtex) version of refereed paper for special issue of Applied Physics A entitled "From Surface Science to Device Physics", in honor of the retirements of Prof. H. Ibach and Prof. H. L\"ut

Trueness of CAD/CAM digitization with a desktop scanner – an in vitro study

Desktop scanners are devices for digitization of conventional impressions or gypsum casts by indirect Computer-Aided Design/Computer-Assisted Manufacturing (CAD/CAM) in dentistry. The purpose of this in vitro study was: 1, to investigate whether virtual models produced by the extraoral scanner have the same trueness as sectioned casts; and 2, to assess if digitization with an extraoral scanner influences the surface information

Effect of a force-free end on the mechanical property of a biopolymer —A path integral approach

[[abstract]]We study the effect of a force-free end on the mechanical property of a stretched biopolymer. The system can be divided into two parts. The first part consists of the segment counted from the fixed point (i.e., the origin) to the forced point in the biopolymer, with arclength Lf . The second part consists of the segment counted from the forced point to the force-free end with arclength DL. We apply the path integral technique to find the relationship between these two parts. At finite temperature and without any constraint at the end, we show exactly that if we focus on the quantities related to the first part, then we can ignore the second part completely. Monte Carlo simulation confirms this conclusion. In contrast, the effect for the quantities related to the second part is dependent on what we want to observe. A force-free end has little effect on the relative extension, but it affects seriously the value of the end-to-end distance if DL is comparable to Lf .[[notice]]補正完