Multiscale and Multiphysics Modeling
for Industrial Nanotechnology
Innovation
Dr Raj C Thiagarajan
ATOA Scientific Technologies Pvt Ltd




                                       ATOA Scientific Technologies
                                       Multiphysics CAE for Innovation TM
ATOA Scientific Technologies (ATOAST)
•   Engineering Simulation Solution Provider
    for First Time Right Design.

•   Bridge Atom to Application to Proliferate
    Simulation (Multiphysics, Multiscale &
    multimaterial) for cost effective
    Innovation.

•   ATOAST’s Technical Vision is Driven by
    Material Unity

•   ATOAST Global with HQ’s in Bangalore

•   India’s First COMSOL Certified Consultant

•   ATOAST JYOTHI Foundation empowers our
    social mission.


         ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO   2
Abstract
• Nature perfected nano technology by evolution over
  millions of years. Current technology provides us the
  ability to engineer at nano meter level to mimic nature
  and develop nano technology enabled products.
  Nanomaterial, Nano medicine, Nano electronics and
  Nano engineered surfaces can revolutionize the industry
  for breakthrough products and economic development.
  The simulation based engineering design as a tool for cost
  effective Industrial innovation will be outlined. An
  overview of multiscale and multiphysics modeling to
  enable Nanotechnology Innovation will be given. Real life
  industrial examples to link nano discoveries to macro
  engineering     applications     for business     benefit
  quantification will be detailed.
     ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO   3
Nano
• Nature perfected
  Nanotechnology

• Ability to Engineer at
  Nano Scale for Superior
  performance

• Nano effects need to
  manifest into macro for
  Industrial Innovation .

• Theme: Simulation based
  Nano discovery to
  Product Innovation


      ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO   4
Discovery to Innovation Cycle
• Scientific Discovery to
                                                                  Wealth                         Basic
  Product Innovation                                             Creation                      Research

• Nano invention to
  Product innovation
• Long cycle and low
                                                 Commerci                                                     Applied
  Success Rate                                    alization                      Nano                         Research



• Simulation based
  Engineering Science                                          Innovation/
                                                                                              Industrial
  for acceleration of                                            Product
                                                                                              Research
                                                              development
  Nano Industrial
  innovation

      ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO     5
Simulation Based Product Design
• Simulation is considered third pillar of Science &
  Technology
• Simulations has No Cost constraints, harsh/unrealistic
  parameter range, EHS concerns.
• Development in mathematical models, computing
  resources
• Reliable, efficient and affordability is the key driver for
  Concurrent Product Development and growth




      ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO   6
Simulation and Testing
• Virtual Testing more insight into the physics of the problem




      ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO   7
Multiscale Modeling
                                                                      Multi scale modeling Framework
• Multiscale model is a
  mathematical model
  formed by combining
  partial model at different
  length and time scales.

• Efficient linking is critical

• Away from predicting
  known properties towards
  new materials with novel
  properties.

       ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO
Multiscale Modeling Super Insulation
• Nanogel/ Aerogel : Thermal
  conductivity lower than still
  air to about 0.002 W/mK
• Nanoscale Knudsen effect,
  Phonon scattering                                                (From:http://www.ameriluxinternational.com/html/archite
                                                                   ctData/nanogel/documents/nanogelData.pdf)

• Conduction, convection and
  Radiation = k
• U value for Fenestration
  product performance
• Building Thermal Simulation
  for annual Energy and Cost
  Saving
                                                                  2 pm


      ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO         9
Multiphysics Modeling
Product Design is
Multiphysics in nature but
Designed for Dominant
Physics

Current Technology Enables
Affordable and Reliable
Multiphysics Product Design

Multiphysics Design for First
time right cost effective,
faster product development.

      ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO   10
Nanocomposites Multiphysics Design
• Modify Governing and Constitute equation
  to account for the Nano scale effect

Structural                      Elastic constants              Super structural




Thermal                         Thermal conductivity           Superinsulation




Electromagnetic                 Permeability, permittivity     Metamaterials




Acoustic                        Sound transmission             Acoustic bandgaps


        Multiscale and Multiphysics material model for
        superior, novel and unusual properties
      ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO
Visit www.atoastech.com for more

Simulation based Product Design
For Acceleration of
Nano Science Discovery
To Nano Engineering
To Nano Technology
To Nano Industrial Innovation.

   ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO   12

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Multiscale and Multiphysics Modeling for Industrial Nanotechnology Innovation

  • 1. Multiscale and Multiphysics Modeling for Industrial Nanotechnology Innovation Dr Raj C Thiagarajan ATOA Scientific Technologies Pvt Ltd ATOA Scientific Technologies Multiphysics CAE for Innovation TM
  • 2. ATOA Scientific Technologies (ATOAST) • Engineering Simulation Solution Provider for First Time Right Design. • Bridge Atom to Application to Proliferate Simulation (Multiphysics, Multiscale & multimaterial) for cost effective Innovation. • ATOAST’s Technical Vision is Driven by Material Unity • ATOAST Global with HQ’s in Bangalore • India’s First COMSOL Certified Consultant • ATOAST JYOTHI Foundation empowers our social mission. ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 2
  • 3. Abstract • Nature perfected nano technology by evolution over millions of years. Current technology provides us the ability to engineer at nano meter level to mimic nature and develop nano technology enabled products. Nanomaterial, Nano medicine, Nano electronics and Nano engineered surfaces can revolutionize the industry for breakthrough products and economic development. The simulation based engineering design as a tool for cost effective Industrial innovation will be outlined. An overview of multiscale and multiphysics modeling to enable Nanotechnology Innovation will be given. Real life industrial examples to link nano discoveries to macro engineering applications for business benefit quantification will be detailed. ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 3
  • 4. Nano • Nature perfected Nanotechnology • Ability to Engineer at Nano Scale for Superior performance • Nano effects need to manifest into macro for Industrial Innovation . • Theme: Simulation based Nano discovery to Product Innovation ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 4
  • 5. Discovery to Innovation Cycle • Scientific Discovery to Wealth Basic Product Innovation Creation Research • Nano invention to Product innovation • Long cycle and low Commerci Applied Success Rate alization Nano Research • Simulation based Engineering Science Innovation/ Industrial for acceleration of Product Research development Nano Industrial innovation ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 5
  • 6. Simulation Based Product Design • Simulation is considered third pillar of Science & Technology • Simulations has No Cost constraints, harsh/unrealistic parameter range, EHS concerns. • Development in mathematical models, computing resources • Reliable, efficient and affordability is the key driver for Concurrent Product Development and growth ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 6
  • 7. Simulation and Testing • Virtual Testing more insight into the physics of the problem ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 7
  • 8. Multiscale Modeling Multi scale modeling Framework • Multiscale model is a mathematical model formed by combining partial model at different length and time scales. • Efficient linking is critical • Away from predicting known properties towards new materials with novel properties. ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO
  • 9. Multiscale Modeling Super Insulation • Nanogel/ Aerogel : Thermal conductivity lower than still air to about 0.002 W/mK • Nanoscale Knudsen effect, Phonon scattering (From:http://www.ameriluxinternational.com/html/archite ctData/nanogel/documents/nanogelData.pdf) • Conduction, convection and Radiation = k • U value for Fenestration product performance • Building Thermal Simulation for annual Energy and Cost Saving 2 pm ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 9
  • 10. Multiphysics Modeling Product Design is Multiphysics in nature but Designed for Dominant Physics Current Technology Enables Affordable and Reliable Multiphysics Product Design Multiphysics Design for First time right cost effective, faster product development. ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 10
  • 11. Nanocomposites Multiphysics Design • Modify Governing and Constitute equation to account for the Nano scale effect Structural Elastic constants Super structural Thermal Thermal conductivity Superinsulation Electromagnetic Permeability, permittivity Metamaterials Acoustic Sound transmission Acoustic bandgaps Multiscale and Multiphysics material model for superior, novel and unusual properties ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO
  • 12. Visit www.atoastech.com for more Simulation based Product Design For Acceleration of Nano Science Discovery To Nano Engineering To Nano Technology To Nano Industrial Innovation. ATOA Scientific Technologies Multiphysics CAE for Innovation TM |www.atoastech.com | RICH | 5th Bangalore NANO 12