Ab initio study of Al-ceramic interfacial adhesion

نویسندگان

  • Donald J. Siegel
  • James B. Adams
چکیده

Donald J. Siegel,* ,† Louis G. Hector, Jr., and James B. Adams Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801 Materials and Processes Laboratory, Mail Code 480-106-224, General Motors Research and Development Center, 30500 Mound Road, Warren, Michigan 48090-9055 Chemical and Materials Engineering Department, Arizona State University, Tempe, Arizona 85287-6006 ~Received 20 May 2002; published 26 March 2003!

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Influence of interfacial coherency on ferroelectric switching of superlattice BaTiO3/SrTiO3

Articles you may be interested in Tuning of dielectric, pyroelectric and ferroelectric properties of 0.715Bi0.5Na0.5TiO3-0.065BaTiO3-0.22SrTiO3 ceramic by internal clamping Insight on the ferroelectric properties in a (BiFeO3)2(SrTiO3)4 superlattice from experiment and ab initio calculations Appl.

متن کامل

A theoretical study of benzaldehyde derivatives as tyrosinase inhibitors using Ab initio calculated NQCC parameters

Tyrosinase is a multifunctional copper-containing enzyme. It can catalyze two distinct reactions of melanin synthesis and benzaldehyde derivatives, which are potential tyrosinase inhibitors.  To find the relationships between charge distributions of benzaldehyde and their pharmaceutical behavior, the present study aimed at investigating nuclear quadrupole coupling constants of quadrupolare nucl...

متن کامل

AB Initio Studies of Adsorption of Some Organic Inhibitors (Pyridine and Its derivatives) at the Aluminum Surface in hydrochloric acid (HCl).

A quantum chemical study of the corrosion inhibition properties of some organic inhibitormolecules, pyridine, 2-picoline, 3-picoline, 4-picoline, 2, 4-lutidine at the aluminum surface inhydrochloric acid (HCl) was carried out. The models of the inhibitors adsorption on the Al-surfacewere optimized with the HF and B3LYP level using the 6-31G and LANL2DZ basis sets fromthe program package Gaussia...

متن کامل

Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)

In this work we use density functional theory based on the ultra-soft pseudo-potential to calculate thestructural, mechanical and thermal properties of narrow single walled BN, AlN and GaN nanotubes.The electron-electron interactions were expressed within the local density approximation (LDA). Wehave also obtained the Phonon dispersion and elastic constants of these nanotubes using the densityf...

متن کامل

NMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound

Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2003