Some Challenges To Multi-scale Modeling G. Malcolm
Some Challenges to Multi-scale ModelingG. Malcolm StocksOak Ridge National Laboratory First principles based microstructure modeling¾ How close are we to directly modeling micro-structuralmodeling base on first principles parameter? Vaithyanathan, C. Wolverton and L. Q. Chen, Physical ReviewLetters 88, 125503 (2002) Model problem for Fusion relevant Multi ScaleModeling¾ Oxide dispersion Strengthened (ODS) Alloys¾ Why are nanoscale “clusters” stable at high temperature? Janotti, Fu, Krcma, Miller, M&C ORNLORNLAdvanced Computational Materials Science1
Physical Review Letters 88, 125503 (2002)ORNLAdvanced Computational Materials Science2
Oxide Dispersion Strengthen AlloysAnderson Janotti, Chong Long Fu, Maja Krcma, Mike Miller,Metals and Ceramics Division ( ORNL)ORNLAdvanced Computational Materials Science3
The 12YWT Ferritic Alloy Possesses OutstandingHigh Temperature Creep Strength Creep rate is 6 orders of magnitude lower than conventionalsteels at 600-900ºC. (Larson-Miller Plot)ORNLAdvanced Computational Materials Science4
Nanoclusters Are Enriched in Y, Ti, and O Radial Concentration Profile (RCP) from the Center of Mass of a Particle12YTiOConcentration, at. %108642003-D APT123Distance, nm4 No evidence of unique crystal structure in electron diffraction patterns RCP shows a diffuse interface structureM.K. MillerORNLAdvanced Computational Materials Science55
Nanoclusters Possess a High Degree ofThermal StabilityMaximum separationenvelope methodCompositions are theaverage of allnanoclusters analyzedin each condition0.1 nm grid High-temperature exposures have little effect on the average composition ofthe nanoclusters The (Y Ti):O ratio is 1 in the 12YWT alloy The size of the 4nm diameter nanoclusters does not change significantlyduring thermal ageing or creep The high degree of stability for the nanoclusters appears to defy thelaws of thermodynamicsORNLAdvanced Computational Materials Science6
Solubility of oxygen in Fe is strongly enhancedwith Ti and Y additionsFe/O Fe FeOFeOTivacancyYYEf 1.5 eV1.9 eV (V-Oi pair)Low oxygensolubility 1-2ppm at 900 CoFormation energy of V-Oi is0.4 eV higher than that ofOi, despite high Fe vacancyformation energy 2 eV0.7 eVY significantlyreduces thevacancy formationenergy by 1.2 eV 0 eVTi provides Ti-Ochemical affinity The reaction Fe:O/(Ti Y) Fe/(Ti Y):O can be exothermic The presence of vacancy plays an indispensable role in O solubilityenhancement (and in the cluster formation and stability)ORNLAdvanced Computational Materials Science7
ORNL Advanced Computational Materials Science 1 Some Challenges to Multi-scale Modeling G. Malcolm Stocks Oak Ridge National Laboratory First principles based microstructure modeling ¾How close are we to directly modeling micro-structural modeling base on first principles parameter? Va
CCC-466/SCALE 3 in 1985 CCC-725/SCALE 5 in 2004 CCC-545/SCALE 4.0 in 1990 CCC-732/SCALE 5.1 in 2006 SCALE 4.1 in 1992 CCC-750/SCALE 6.0 in 2009 SCALE 4.2 in 1994 CCC-785/SCALE 6.1 in 2011 SCALE 4.3 in 1995 CCC-834/SCALE 6.2 in 2016 The SCALE team is thankful for 40 years of sustaining support from NRC
Svstem Amounts of AaCl Treated Location Scale ratio Lab Scale B en&-Scale 28.64 grams 860 grams B-241 B-161 1 30 Pilot-Plant 12500 grams MWMF 435 Table 2 indicates that scale up ratios 30 from lab-scale to bench scale and 14.5 from bench scale to MWMW pilot scale. A successful operation of the bench scale unit would provide important design .
Q ' (b) Surrogate with NNWs Figure 1: Homogenization-based multi-scale models: (a) A FE2 multi-scale simulation implies the coupled resolution of BVPs at the di erent scales; and (b) The meso-scale BVPs resolutions during the multi-scale simulation are substituted by a surrogate model tr
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Scale Review - Review the E - flat scale. Friday 5/29/2020. Scale Review - Review the c minor scale. Sight Reading. Monday 6/1/2020. History - Read 20th Century Packet - Complete listenings and quiz. Scale Review - Practice the B - flat Major scale. Tuesday 6/2/2020. Scale Review - Practice the g melodic minor scale. Wednes
Remember, this is just an abridged form of the major scale. It's not a 'separate', distinct scale. It's just the major scale, in a simpler form. Can you see that this has just a few notes less? Minor Scale Minor Pentatonic Scale Remember, this is just an abridged form of the minor scale. It's not a 'separate', distinct scale.
Optimal parameter values are obtained. These optimum values are used with the multi-WLD on three data sets. These results are thoroughly compared with the multi-LBP. Extensive analysis with various scale combinations indicates the multi-WLD outperforms. The forgery can be either copy-move or spliced. Multi-WLD and multi-LBP features
Paediatric Anatomy Paediatric ENT Conditions Paediatric Hearing Tests and Screening. 1 Basic Sciences HEAD AND NECK ANATOMY 3 SECTION 1 ESSENTIAL REVISION NOTES medial pterygoid plate lateral pterygoid plate styloid process mastoid process foramen ovale foramen spinosum jugular foramen stylomastoid foramen foramen magnum carotid canal hypoglossal canal Fig. 1 The cranial fossa and nerves .
