First principles calculations and in situ characterizations
First principles calculations and in situ characterizations
... (GeO2 and Ge3 N4 ), and to study, both experimentally (using XPS and TEM) and theoretically (using first -principles calculations) , the electronic, intrinsic defect, and interface properties and ... is cut into slices with mm in diameter, then the slice is thinned into 10 µm around by using grinding and dimpling apparatus, and finally the thin sample is post-thinned using i...
IONIC LIQUIDS FOR CELLULOSE PROCESSING AND CARBON CAPTURE FROM FIRST PRINCIPLES CALCULATIONS TO ATOMISTIC SIMULATIONS
... water and (c) cellulose in Iβ crystal 67 Figure 5.13 Radial distribution functions for cellulose around (a) OA and OB atoms of [Ac], (b) C1 atom of [BMIM]+, and (c) OW atom of water in cellulose/ [BMIM][Ac]/water ... k force constants of proper and improper torsional potentials bij bond distance between atoms i and j xxi ijk angle by atoms i, j and k ijkl & ijkl proper...
Investigation of properties in barium chalcogenides from first principles calculations
... blue-emitting lasers In the following section, recent theoretical results from first- principles calculations for alkaline earth chalcogenides, including barium chalcogenides, are briefly summarized in ... semiconductors in barium chalcogenides Firstly, the electronic properties of barium chalcogenides were systemically investigated using first- principles cal...
ANALYSIS OF MICROBIAL COMMUNITY STRUCTURE AND IN SITU ACTIVITY OF NITRIFYING BIOFILMS
... of Water and Environment Technology, Vol.2, No.2, 2004 Therefore, we investigated successional development of nitrifying bacterial community structure and in situ nitrifying activities in biofilms ... distributions of in situ nitrifying activities were determined The relationship between the spatial organization of nitrifying bacterial populations and the...
prins and in situ pcr protocols
... (70,90, and lOO%), and air-dry before starting the second PRINS reaction 3.3 Second and Third PRINS Make up a standard PRINS reaction mix, with a different primer and reporter (e g., use biotin for ... fluorored (red) in a frozen tissue section of normal bladder epithelium after PRINS and PBS/glycerol/DABCO embedding with DAPI counterstaining Materials 2.1 PRINS DNA Labe...
Báo cáo hóa học: " A Novel Method to Fabricate Silicon Nanowire p–n Junctions by a Combination of Ion Implantation and in-situ Doping" docx
... The top intrinsic part is converted to n-type f SEM image of an SOG-coated NW g A p–n junction NW after the P ion implantation and removal of the SOG h SEM image of a p–n junction NW 3.2 1013 cm-2, ... rectangular dopant profile The implantation energies were 45 and 25 keV corresponding to doses of 1.3 1014 and 123 Fig The scheme of fabricating axial p–n jun...
Báo cáo y học: "yclooxygenases and prostaglandin E2 receptors in growth plate chondrocytes in vitro and in situ – prostaglandin E2 dependent proliferation of growth plate chondrocytes" ppsx
... Figure chondrocytes and in the growth plate Cyclooxygenase (COX) expression in cultured rat growth plate chondrocytes and in the growth plate Expression of mRNA for COX-1 and COX-2 was analysed by ... mean ± standard error of the mean, n = 6; *p value < 0.05 vitro and in situ Cyclooxygenase (COX) expression in rat growth plate chondrocytes in...
Báo cáo y học: " Caveolin-1 and -2 in airway epithelium: expression and in situ association as detected by FRET-CLSM" pps
... relying on the phosphorylation of cav-1α We found caveolin-1 and -2 only in the large airways of mice and rats, limiting caveolar function to larger airways in these species It has to be kept in ... apposition in airway epithelial cells in situ, thereby indicating an association of both proteins and formation of hetero-oligomers Distinct increase of fluorescence (∆I...
Báo cáo y học: "Determining promoter location based on DNA structure first-principles calculations" ppsx
... the location of promoters of fast evolving genes or those appearing in anomalous positions that violate the traditional concept of gene structure Conclusion Atomic MD simulations, based on physical ... boundary conditions and Ewald summations [45] Simulations were carried out using SHAKE [46] on all bonds connecting hydrogens and fts time steps for integration of Newton equations of...
Processing and mechanical properties of pure mg and in situ aln reinforced mg 5al composite 1
... mechanochemical milling Synthesis of Mg- 5wt%Al reinforced with 1wt% of in- situ formed AlN via mechanical milling and power metallurgy techniques Study of microstructures and mechanical properties of Mg MMCs ... combination of strength and ductility of the nc Mg composite Introduction Grain refinement, reinforcement particles, dislocation and solid sol...
Processing and mechanical properties of pure mg and in situ aln reinforced mg 5al composite 2
... recovery during milling was confirmed by the corresponding low internal strain The internal strain during milling showed inverse grain size dependence Absence of dislocations within the grains of as ... Crystalline Grain boundary Triple line Quadruple node Intercrystalline 0.6 0.4 0 .2 0.0 10 100 1000 G rain S ize (nm ) Figure 2. 6 Plot of volume fractions of crystalline and inter...
Processing and mechanical properties of pure mg and in situ aln reinforced mg 5al composite 3
... JIM 34 (19 93) 952-959 Y Ogino, S Murayama, T Yamasaki, J Less-Common Met 168 (1991) 221- 235 67 In- situ formation of Aluminium Nitride composite powder 27 28 29 30 31 32 33 34 35 36 37 38 39 40 ... evidence of weak and broad AlN peaks The proportion of AlN in the powder increased with further milling Higher and distinct AlN peaks indicating higher 51 In-...
Processing and mechanical properties of pure mg and in situ aln reinforced mg 5al composite 4
... resistivity of Mg- 5Al- 1AlN composite sample and pure Mg samples 4. 3.3 Thermal properties From Table 4. 3 and Fig 4. 8, the same trend of αc and Mg is observed for both composite and pure Mg samples Milling ... as AlN and in- situ formed Al1 2Mg1 7, MgH2, MgAl2O4, and MgO during sintering and extrusion Such stable grain structure with no grain gro...
Processing and mechanical properties of pure mg and in situ aln reinforced mg 5al composite 5
... [ 15] and Wang et al [ 35] A ctivation v o lum e (b ) 300 Mg- 5Al- 1AlN Mg 30 40 250 200 150 100 50 0 10 20 M illing du ratio n (h) Figure 5. 8 Apparent activation volume of composite and pure Mg ... Fig 5. 5 and Table 5. 2, as in the composite samples, 0h-MMed samples show similar ductility of 8-10% and yield stress ranging from 122 to 138 MPa indicating insign...
Processing and mechanical properties of pure mg and in situ aln reinforced mg 5al composite 6
... fraction of second phase constituents, since the Mg grain size is in nanoscale and thus less likely for the reinforcement and in- situ formed particles to exist in the interior of the Mg grain, this ... meaning defined previously Using the parameters for Mg in Table 6. 2, a theoretical value of Dgb is predicted to be 3.7410-28 m2 s-1 However, Qgb value in Table 6...
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