نتایج جستجو برای: au14 nano cluster
تعداد نتایج: 251977 فیلتر نتایج به سال:
First principles calculations have been performed to energetically investigate the helium cluster nucleation, formation and growth behavior in the nano-structured ferritic alloy 14YWT. The helium displays strong affinity to the oxygen:vacancy (O:Vac) pair. By investigating various local environments of the vacancy, we find that the energy cost for He cluster growth increases with the appearance...
جفت شدن آلدهیدها با ارتوآمینوفنول و حلقه زایی ارتوهیدروکسی آریلیدین آنیلین ها یا بازهای شیف فنولی دو روش کلاسیک برای تهیه بنزواکسازول می باشد. در این کار nano-?-al2o3/bf3-nرا به عنوان یک اسید جامد تهیه نمودیم که برای اثبات وجود اتم b در nano-?-al2o3 طیف های xrd, ft-ir نانو گاما آلومینا و نانوگاما آلومینا بورتری فلورید را به طور جداگانه بررسی نمودیم. در این کار تحقیقاتی مشتقات 2-هیدروکسی آریل-...
To investigate the structural evolution and hereditary mechanism of icosahedral nano-clusters formed during rapid solidification, a molecular dynamics (MD) simulation study has been performed for a system consisting of 107 atoms of liquid Mg70Zn30 alloy. Adopting Honeycutt-Anderson (HA) bond-type index method and cluster type index method (CTIM-3) to analyse the microstructures in the system it...
We present a spectrum-splitting approach to conduct all-electron Kohn-Sham density functional theory (DFT) calculations by employing Fermi-operator expansion of the Kohn-Sham Hamiltonian. The proposed approach splits the subspace containing the occupied eigenspace into a core-subspace, spanned by the core eigenfunctions, and its complement, the valence-subspace, and thereby enables an efficient...
A multi-scale investigation of nanostructured carbon films has been performed by means of inelastic light scattering (Raman and Brillouin scattering). Carbon films with different nanoand mesostructure have been deposited from supersonic cluster beams in a low energy deposition regime by exploiting aerodynamic focusing effects. Acoustic phonon propagation in the porous amorphous structure, where...
Government regulations to address technological risks are important for the successful development and application of nanotechnology, but there is an ongoing debate in the USA about who is responsible for the regulation of nanotechnology. In a mail survey of leading US nano-scientists, we examine scientists’ perceptions about nano-regulation, including the government level (local, national, or ...
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