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picture1_Design Of Experiments Slideshare 66955 | Overview


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File: Design Of Experiments Slideshare 66955 | Overview
materials design and optimization a major goal of the materials genome initiative and materials by design is the acceleration of materials property optimization 2 learning properties of a material another ...

icon picture PPTX Filetype Power Point PPTX | Posted on 28 Aug 2022 | 3 years ago
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         Materials design and optimization
                                        A major goal of the 
                                        Materials Genome 
                                        Initiative and 
                                        “Materials-by-
                                        Design” is the 
                                        acceleration of 
                                        materials property 
                                        optimization.
                                                   2
                        Learning properties of a material
          Another important problem 
              is to learn the underlying                        Kinetic pathways of controlled release
              physics of a new material or 
              system
                Materials specific physical 
                    parameters
                Dominant processes during 
                    fabrication or reactions to                                                    Compositional Ripening
                    external stimuli.
          Optimization and learning                                                                          Coalescence with external phase
              are two sides to the same                                                                Adsorption
              coin. In order to do either, 
              we need to perform 
              experiments to obtain                                               Flocculation
                                                                                                       Coalescence  Droplet-droplet coalescence
              measurements that tell us 
              information about the 
              system.
                 Robot Scientist
                           Autonomy in basic 
                             scientific exploration.
                           How can a robot decide 
                             on the next experiment 
                             to run, given some 
                             objective?
   “Adam,” R. King et al.  Aberystwyth University   
                                                                                  Common theme
                                                                                         What experiments to run? 
                                                                                         What are we learning?
                                                                                         How do we consider our ultimate 
                                                                                                  objective when answering these 
                                                                                                  questions?
                                                                                         How do we deal with uncertainty?
                                                                                                                                                                                                Compositional Ripening
                                                                                                                                                                                                              Coalescence with external phase
                                                                                                                                                                                                     Adsorption
                                                                                                                                                                            Flocculation
                                                                                                                                                                                                     Coalescence      Droplet-droplet coalescence
           Experiments are expensive and uncertain
         Experiments are expensive: 
                                                                 Release profile for HRP in 1 mg/ml BSA external and internal (5% PLGA)
            A single experiment can take                 100    % released
                                                                % released 24 hours later
                                                                % released 48 hours later
            a day to as long as a month                         % released 72 hours later
                                                         75     % released 96 hours later
            of laboratory time.
                                                         d
                                                         e
                                                         s
                                                        a
            Experiments are noisy:                       e
                                                         l
                                                         e
                                                         r50
                                                          
                                                         P
                                                         R
            repeated observations can                    H
                                                          
                                                         %
            produce different outcomes.
                                                         25
         Experimental decisions are 
            complex                                       0
                                                           0            25          50           75           100
               E.g. select from among                                            Time (hours)
                 hundreds of catalysts, while 
                 simultaneously tuning             Double emulsion             Vortex Speeds
                 temperatures, pressures and       fabrication:
                 concentrations.                                                  PLGA 
               Set of experiments can become              Water                                        Water
                 combinatorially large.                                              & 
                                                                                  Solve
                                                      HRP, BSA, Volume               nt               BSA, Volume
                                                                               PLGA, Volume
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...Materials design and optimization a major goal of the genome initiative by is acceleration property learning properties material another important problem to learn underlying kinetic pathways controlled release physics new or system specific physical parameters dominant processes during fabrication reactions compositional ripening external stimuli coalescence with phase are two sides same adsorption coin in order do either we need perform experiments obtain flocculation droplet measurements that tell us information about robot scientist autonomy basic scientific exploration how can decide on next experiment run given some objective adam r king et al aberystwyth university common theme what consider our ultimate when answering these questions deal uncertainty expensive uncertain prole for hrp mg ml bsa internal plga single take released hours later day as long month laboratory time d e s noisy l p repeated observations h produce different outcomes experimental decisions complex g select...

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