Integrated Strategic Multiscale Framework

INTEGRATED STRATEGIC

MULTISCALE FRAMEWORK

ARCHITECTURE

A NEW

“VIRTUAL MULTISCALE

SCIENCE - ENGINEERING – MANUFACTURING

WORLD”

FOR

TECHNOLOGY INNOVATION, ENGINEERING

AND MANUFACTURING

Alessandro Formica

DECEMBER 2013

2

Alessandro Formica, December 2013 All rights reserved

Table of Contents

1. The role of Multiscale Science – Engineering Integration to Shape the Future of

Virtual Engineering and Manufacturing……………………………………..………………….. pag. 3

2. Integrated Strategic Multiscale Framework Structure……………………….……………….. pag. 17

About the Author…………………………………………………………………………………. pag. 19

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1. The Role of Multiscale Science – Engineering Integration to

shape the Future of Virtual Engineering and Manufacturing Computational Multiscale has become a key asset in the R&D World and it begins to be applied in the

Engineering and Manufacturing Fields. Multiscale methods helped to establish a bridge between Science

and Engineering and the related domains of knowledge. These trends and the continuous advances in High

Performance Computing, Information and Communication Technologies provided the basis to define a new

vision of Multiscale we refer to as "Strategic Multiscale”. The term “Strategic” means that Multiscale

Concepts and Methodologies are applied not only to improve Computational Methodologies, but, also, to

improve in a significant way R&D, Engineering and Manufacturing Organization and Strategies.

New Reference Concept: Multiscale Modeling and Simulation as “Knowledge Multipliers and Integrators” and Unifying Paradigm for Scientific and Engineering Methodologies and Knowledge Domanis

Strategic Multiscale Origins and Foundations In mid of nineties several researchers in the Chemical Engineering field (Sapre and Katzer, Lerou and Ng,

and Villermaux) and the author of this document (Alessandro Formica) highlighted the need of a

comprehensive multiscale approach as a key strategy to establish a new “Unifying Paradigm” to enable a

better correlation between scientific and engineering advances and knowledge domains. Later on, Prof.

Charpentier, past European Federation of Chemical Engineering President, illustrated similar concepts.

In 2013 the awarding of the Nobel Prize in Chemistry to three scientists for the development of Multiscale Models for Complex Chemical Systems has confirmed this “Vision” and helped to create the optimal intellectual and scientific context to introduce high level Projects and Initiatives in the “Multiscale Science – Engineering Integration“ field

Multiscale as “Unifying Paradigm for Chemical Engineering

Prof. Charpentier, past European Federation of Chemical Engineering (EFCE) President, at the 6th

World Congress of Chemical Engineering - Melbourne 2001, described his Vision of Multiscale as

“Strategic Paradigm” for Chemical Engineering. We report his words :

“One key to survival in globalization of trade and competition, including needs and challenges, is the

ability of chemical engineering to cope with the society and economic problems encountered in the

chemical and related process industries. It appears that the necessary progress will be achieved via a

multidisciplinary and time and length multiscale integrated approach to satisfy both the market

requirements for specific end use properties and the environmental and society constraints of the

industrial processes and the associated services.

This concerns four main objectives for engineers and researchers:

(a) total multiscale control of the process (or procedure) to increase selectivity and productivity,

(b) design of novel equipment based on scientific principles and new methods of production: process

intensification,

(c) manufacturing end-use properties for product design: the triplet ‘processus-product-process’

engineering,

(d) implementation of multiscale application of computational modeling and simulation to real-life

situations: from the molecular scale to the overall complex production scale.”

The Royal Swedish Academy of Sciences has awarded the Nobel Prize in Chemistry for 2013 to Martin Karplus of Université de Strasbourg, France and Harvard University, Cambridge, MA, USA; Michael Levitt of Stanford University School of Medicine, Stanford, CA, USA; and Arieh Warshel of the University of Southern California, Los Angeles, CA, USA "for the development of multiscale models for complex chemical systems chemical systems."

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The definition of new Frameworks like the “Integrated Computational Materials Engineering (ICME)” and the “Integrated Compuitational Materials Science Engineering (ICMSE)” ones and the launch of the US Presidential Materials Genome Initiative (MGI) put the bases for a wide Industrial Application of Multiscale Science – Engineering Integration Strategies and Frameworks

The writer, synthesizing multiannual experience with some of the most important industrial and research Italian, European and International and taking advantage of his participation in the EUMAT, has developed a new Integrated Strategic Multiscale Framework which is characterized by interesting innovations compared to current programs and projects incorporating, at the same time, their most significant elements and achievements. This strategy allows to define a specific evolutionary line. The “Integrated Strategic Multiscale” Framework is constituted by:

� A common theoretical, conceptual and methodological core we refer to as “Integrated Multiscale Science – Engineering” Framework [described in the Integrated Strategic Multiscale document]

� Four “Application Frameworks”

– “Integrated Multiscale Science – Engineering Technology, Product and Process Development (IMSE-TPPD) Application Framework” [described in theIntegrated Strategic Multiscale document]

– Integrated Multiscale Science – Engineering Technology and Systems Development (IMSE-TSD)Application Framework [described in the Integrated Strategic Multiscale document]

– Multiscale Science – Engineering From Space To Earth Application Framework [described in the Multiscale Science - Engineering From Space To Earth document]

– Multiscale Science Based Education, Information and Communication Application Framework [described in the Multiscale Science Based Education, Information and Communication document]

A key distinguishing feature of the “Integrated Strategic Multiscale” Framework is that all the four “Application Frameworks” characterize themselves for having a common theoretical, conceptual and methodological basis described in the “Integrated Multiscale Science – Engineering Framework”

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Integrated Strategic Multiscale Framework Architecture

Basic Conceptual, Theoretical and Methodological Framework

Integrated Multiscale Science – Engineering Framework

Integrated Multiscale Science –

Engineering Technology, Product

and Process Development

(IMSE-TPPD) Framework

Analysis And Design of a New Generation of Materials, Devices Systems, and related Manufacturing Processes

Integrated Multiscale Science

Engineering Technology and

Systems Development

(IMSE-TSD) Framework

Analysis And Design of a New Generation of Civil And Infrastructural Systems

Multiscale Science - Engineering

From Space To Earth Framework

− A New Vision and Cultural Policy for Space: “Virtual Space Station”

− New Multiscale Science – Based Earth Monitoring Framework

− A new “Smart City” vision: “Multiscale Science – Based From Space To Earth Virtual Distributed Cyber City”

− New Education, Information and Communication Strategies And Frameworks Based Upon The Space Environment

Multiscale Science Based

Education, Information and Communication Framework

A New Integrated Framework which, for the first time, applies, in a sistematic way, the Strategic Multiscale concept and methods to the Education, Information and Communication Fields

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Multiscale Science – Engineering Integration

International Initiatives

John Hopkins Center of Excellence on Integrated Materials Modeling (CEIMM)

Application of the Integrated Computational Materials Science Engineering (ICMSE) Concept and Strategy

CEIMM is a multi-institutional research and educational consortium, including the following

members:

Academia: The John Hopkins University (lead) –University of Illinois at Urbana Champaign –

University of California, Santa Barbara

Air Force Laboratories: Metals and Composites & Hybrid Materials branches at AFRL/RX at

Wright Patterson Air Force Base, Dayton

Industry: Pratt & Whitney – GE Aviation – Lockheed Martin – Boeing – Simpleware – Scientific

Forming Technologies Corporation

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US Materials Genome Initiatives Innovation – (Science – Engineering and Methodological) Integration – Education

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What is lacking in these Frameworks?

� A New Vision and Concept for Multiscale Modeling and Simulation and related

Application Schemes

� A New Context to Manage Complexity of the R&D and Engineering/Manufacturing

Processes

� New Education Languages and Frameworks

The theoretical and methodological basis of the “ Integrated Strategic Multiscale Framework” addresses these Issues and it is constituted by the following key elements:

� A new “Vision” of Multiscale Modeling & Simulation as “Knowledge Integrators and Multipliers” and “Unifying Paradigm” for Scientific and Engineering Methodologies and Knowledge Domains. In this perspective “Modeling & Simulation” integrate the full spectrum of science and engineering methodological approaches and knowledge environments.

� Extension of the “Model” concept to the Experimental, Testing and Sensing Worlds

� The “Multiscale Science-Engineering Information Space” concept to integrate data, information

and knowledge from a wide spectrum of computational models and methods and experimental, testing and sensing models and techniques

� The “Information – Driven Analysis” concept and scheme which, together with the Science – Engineering Information Space” concept is a key element to shape Multiscale Methodologically Integrated R&D and Engineering Analysis Strategies

� New Multiscale Science – Engineering Data, Information and Knowledge Management

Systems based upon the Multiscale Maps concept � New methods to “Design” the R&D and Engineering Process � A New Multiscale Science Based Education Language

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Multiscale Multiresolution Multi Abstraction Level Maps “Multidimensional Multiscale Multiresolution Multi Level Information and Knowledge Structures” describing complex networks of relationships, links and interdependencies between a large spectrum of “Information Variables” characterizing “Systems Structure, Dynamics and Processes”.

Multiscale Physics Maps

Multiscale Architectural/Structural Map

Multiscale Processing – Structure – Properties – Performance Map

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Multiscale Science – Engineering Information Space

Key Element to Design Integrated Strategic Multiscale Strategies

The “Science-Engineering Information Space” is associated to any computational model/method, and experimental and testing technique. It defines, following a multiscale analysis :

� what spectrum of physical phenomena and processes, at what space and time scales and � at what level of accuracy

can be described by a computational model/method or experimental/testing technique

The set of information we get from a model solved with a specific method/technique represents the “Information Space” associated with the model/method/technique for a specific Task as referred to a specific “System”

The need to define the “Information Space” associated to computational models and experimental techniques, in the context of the Verification & Validation process, has been analyzed by Tim Trucano in “Uncertainty in Verification and Validation: Recent Perspective Optimization and Uncertainty Estimation, Sandia National Laboratories Albuquerque

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“Multiscale Multiphysics Modeling and Simulation” can be regarded as “Knowledge Integrators and Multipliers” (KIM) and “Unifying Paradigm” for Scientific and Engineering Domains and Methodologies because Multiscale Models are able to integrate and synthesize, in a coherent framework, Data, information, and Knowledge from:

− a number of different disciplines,

− a wide range of scientific and engineering time and space domains,

− multiple scientific and engineering models (science-engineering integration) linked by a spectrum of coupling schemes.

− a wide spectrum of Computational, Experimentation, Testing and Sensing Multiscale Science – Engineering Information Spaces

− Knowledge described by several Maps generated by a wide range of methodologies (analytical theories, computation, experimentation, testing and sensing)

In this vision, we propose to extend the concept of “Model” to include not only its mathematical formulation, but, also, Information Spaces and Maps linked to it for specific tasks.

The Concept of Experimental, Testing and Sensing “Model” For “Model”, we mean an “Information and Knowledge Structure” that define:

− Characteristics (structure, composition, initial dynamics state, boundary conditions, external loadings) of the

− System to be probed − Characteristics of the equipment in terms of resolution, scale, physical and

biochemical phenomena which can be Probed

− Characteristics of the specific Experimental, Testing and Sensing operational conditions applied for specific R&D and Engineering Tasks

− The “Multiscale Science – Engineering Information Space” related to it − Multiscale Physics Maps .

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Computational Microscope: A New Integrated Paradigm

The concept of “Computational Microscope”, illustrated in the following figure, is considered as a basis to achieve a “self-consistent understanding” by integrating the two worlds: modeling & simulation and experimentation & testing. This view reflects, to some extent, our vision of Multiscale Modeling & Simulation as “Knowledge Integrators and Multipliers” (KIM). Note : (MSMP stands for Multi Scale Multi Physics)

A Computational Microscope

(from: An Introduction to Materials, Properties, and Microstructures : an Integrated Experiment – Modeling Paradigm – G. R. Odette (UCSB) at the Fusion Program Review – Santa Barbara (CA)

August 27-28, 2001)

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KEY FRAMEWORK DISTINGUISHING FEATURES

� The new Integrated Strategic Multiscale Framework allows us to give a New Dimension and Meaning to the term “Virtual” as far as Engineering and Manufacturing are concerned. and introduce a New Field: Virtual Technology Innovation, which is the connection element between Science and Engineering/Manufacturing Domains.

� The “Integrated Strategic Multiscale Framework” defines a “Comprehensive Theoretical and Methodological Environment” to design and implement a New Generation of Virtual Science – Based Technology Innovation, Engineering and Manufacturing Environments and Strategies

Where

Multiscale Modeling and Simulation become “Pivotal” and “Integration Elements” for R&D and Engineering / Manufacturing Strategies overcoming classical divisions between the Computational and the Experimental, Testing and Sensing Areas.

� MULTISCALE SCIENCE – ENGINEERING INTEGRATION; A New Cooperative

Environment for Academia – Research – Industry – SW & Consulting Companies

A Fundamental Characteristics of the “Integrated Strategic Multiscale Framework” is to allow for a smooth, continuous, efficient, structured and timely transfer of scientific knowledge inside the Technology Development, Engineering and Manufacturing Processes and related Computational Frameworks. Multiscale Modeling and Simulation Allows to establish a firm two – way connection between the Scientific and the Engineering/Manufacturing Worlds

� A NEW GENERATION OF MULTISCALE PRODUCTS AND MANUFACTURING PROCESSES Engineering and Manufacturing are quickly changing. Science has already become a key issue and value for both the fields and this trend will become increasingly important in the coming years. Many Projects have clearly demonstrated that, today, is possible to use Multiscale (Science – Engineering) Computational Methodologies to Design and Manufacture A New Generation of new “Inherently” Hierarchical Multiscale Materials, Devices, Components, Systems (Nano To Macro Integration) and related Manufacturing Processes (Additive Manufacturing).

Multiscale System Design (MIT)

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� Strategic Multiscale as A New Frontier for Computing Information and Communication Organization, Structure and Application Strategies

Multiscale Modeling and Simulation as Key Elements for Computing, Information and

Communication (CIC) Technologies And Architectural Progress (Prof. Peter Zoller)

A New Environment: Multiscale Knowledge Integrator and Multiplier Computing, Information and Communication (CIC) Infrastructural Framework

as

Application Strategies

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Innovative Technology and System Development Analysis and Planning Framework or

“Virtual Multi Space and Time Scale R&D and Engineering Machine”

The Innovative Technology and Systems Development Processes can be regarded as a Multi (Space and Time Processes) and, accordingly, they can be modeled and simulated using Multiscale Science – Engineering Frameworks

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KEY MESSAGE

The New “Integrated Multiscale Science – Engineering” “Vision” puts Computational

Frameworks and High Performance Computing at the center of the R&D and

Engineering/Manufacturing World much more than do classical “Virtual” concepts and

approaches

INNOVATION (SCIENCE - ENGINEERING AND METHODOLOGICAL) INTEGRATION

EDUCATION

Are Key Pillars of the

Integrated Multiscale Science – Engineering Framework

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2. Integrated Strategic Multiscale Framework Structure

� Integrated Multiscale Science - Engineering Framework Described in the Integrated Strategic

Multiscale Document - which represents the theoretical, conceptual and methodological core of the

“Integrated Strategic Multiscale Framework”. Key Elements:

− Multiscale Data, Information and Knowledge Analysis and Management System

− Multiscale Science – Engineering Information Space

− The Information – Driven Concept and Analysis Scheme

− Multiscale Modeling & Simulation as Knowledge Integrators and Multipliers

− Multiscale Multiresolution Multiphysics Testing, Experimentation and Sensing

− Integrated Multiscale Science – Engineering Analysis Strategies

� Methodologically Integrated Multiscale Science - Engineering Strategies

� Multiscale Science - Engineering Analysis Schemes

− Designing the R&D and Engineering/Manufacturing Processes

� R&D and Engineering/Manufacturing Process Architecture

� R&D and Engineering/Manufacturing Strategy Management System

� Integrated R&D and Engineering Analysis Strategies

� Integrated Multiscale Science – Engineering Technology, Product and Process Development (IMSE-TPPD) Framework Described in the Integrated Strategic Multiscale

Document – which represents the Application Framework specifically conceived for the Industrial

World.

− Multiscale Multidisciplinary Science – Engineering Cyber Extended Enterprise Framework

− Computer Aided R&D, Engineering and Manufacturing /Processing (CARDE-MP) Framework

� Multiscale Manufacturing and Processing

� Multiscale Environmental Monitoring and Impact Analysis

− Multiscale Science – Engineering Virtual Testing

− Virtual Multiscale Innovative Technology and Systems Development Framework � 91

− Virtual Multiscale Life Cycle Engineering Framework

− Multiscale Science – Engineering Knowledge Integrator and Multiplier (KIM)Computing

Information Communication Infrastructural Framework

� Integrated Multiscale Science – Engineering Technology and Systems Development (IMSE-TSD) Framework Described in the Integrated Strategic Multiscale

Document – which represents the Application Framework specifically conceived for the Civil and

Infrastructural World

− Multiscale Multidisciplinary Science – Engineering Cyber Extended Systems

− Framework

− Computer Aided R&D and Engineering (CARDE-MP) Framework

− Computer Aided Design of Systems (CADS) Framework

� Architecture and Functionalities

� Multiscale Environmental Monitoring and Impact Analysis

− Multiscale Science – Engineering Virtual Testing

− Virtual Multiscale Innovative Technology and Systems Development Framework

− Virtual Multiscale Life Cycle Engineering Framework

− Multiscale “Knowledge Integrator and Multiplier CIC Framework

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� Multiscale Science – Engineering From Space To Earth Framework Described in the

Multiscale Science- Engineering From Space To Earth Document – which represents a New Vision

and Application Framework for Space Technologies and Systems

− A New Vision and Cultural Policy for Space: Virtual Multiscale Science - Engineering

− Space Station

− Multiscale Science Based Earth Observation/Monitoring

− New “Smart City” Vision

− Multiscale Science – Based From Space To Earth Education, Training Information and

Communication Framework

− Appendix 1 Multiscale From Space To Earth Monitoring Examples

� Multiscale Science – Based Education, Training, Information and Communication Framework Described in the Multiscale Science Based Education, Information and

Communication Document– which represents the Application Framework specifically conceived for the

Education, Training, Information and Communication World

� Architecture

− Key Features of the New Framework

− Framework Architecture

− Multiscale Science – Based “Language” Concepts and Principles

� “Language” Implementation Structure

� Settings

� Presentation Schemes

� Objectives

� Application Areas

− University Education Programs (Lessons, Lectures, Seminars)

− Information and Communication Programs

� Information Programs

� Documentaries

� Meetings

� Conferences

� University – Industry -Public Bodies – Society” Communication Environments

� Communication Programs

� Multiscale Science – Based Talk Shows

� Multiscale Webs

� From Space to Earth Framework

� Multiscale Science Based Entertainment Programs

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About the Author

- Alessandro Formica, born in Milano (Italy) 3/20/51

- University Education : Nuclear Engineering at Polytechnic of Milan.

- Mobile 338 71 52 564

- E Mail [email protected]

� Professional Skills - Alessandro Formica has more than thirty years of experience in the following

fields:

− Analysis, Design and Management of Computer-Aided Engineering, Computing, Information and

Communication, Modeling and Simulation, R&D and Engineering Projects and Initiatives (Aerospace

and Defense, Chemical and Environmental Engineering, Materials, High Performance Computing,….)

in the European and International scenario.

− Design and Management of European and International Cooperations

− Design and Management of European and International Events (Conferences and Workshops)

− Scenario, Marketing and Development Trend Analyses

− Design of Large Scale Projects and related Innovative Visions

� Professional Experiences (synthetic list):

− ARS S.p.A. (ENI Group R&D and Engineering Company), Director of Advanced Projects;

− Engineering Systems International, Head of Italian Branch;

− Singapore Government Industrial Group, Consultant;

− RCI Ltd. [US based International Consortium, operating in the Modeling & Simulation and High

Performance Computing areas] European Scientific Director, Director of Business Development and

Strategic Initiatives;

− RCI Consulting Branch, European Director;

− Executive Office of US President, Consultant [HPC Scenario, Development Trends, Advanced

Applications Analyses];

− HPC companies (Cray, Convex, Gould), Consultant [Modeling and Simulation Application to R&D and

Engineering Fields];

− European Space Agency, Consultant;

− Alenia Space, Consultant;

− Swiss Center for Scientific Computing (CSCS), Consultant;

− Computer Sciences Corporation, Consultant;

− Alenia Aeronautica and Finmeccanica Group, Consultant;

− Torino Wireless, Large Projects Direction, Consultant;

− Polytechnic of Milano, Consultant [European Programs];

− Polytechnic of Turin, Consultant (HPC and Modeling & Simulation Advanced Applications and

Development Trends];

− Polytechnic of Turin School of Doctorate Lecturer for Multiscale Science – Engineering Integration;

− EUMAT (European Union Materials Technology) Platform Working Group 2 Modeling and Simulation

member and consultant;

− Polimeri Europa (ENI Group Chemical Company), Consultant;

− Nanoshare consultant (Nanoshare is a new company promoted by University and Research Italian

Ministry and involving Rome University “Tor Vergata” and people from Rome University “La

Sapienza”);

− ISMB (Polytechnic of Turin and Compagnia di San Paolo Information and Communication

Technologies Research and Development Center) Consultant;

The “Strategic Multiscale” Document and the related “Strategic Multiscale Framework” synthesize several

years of studies and consulting activities by the author in the field of Multiscale Science – Engineering

integration and its application to Research, Technology Development and Engineering. Studies on Multiscale

started at the beginning of the nineties when Alessandro Formica held the position of RCI Ltd (US based

HPC International Consortium) European Scientific Director and Aerospace & Defense Area Director.

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− A first European Workshop on the “Multiscale Science – Engineering Integration” was organized by

Formica at ONERA (French Aerospace Research Center) premises in Paris (1996). Studies about

Multiscale and Applications were performed for EU and several European US Government

Organizations.

− In the Report “Fundamental R&D Trends in Academia and Research Centres and Their Integration into

Industrial Engineering” (September 2000), drafted for European Space Agency (ESA), a first version of

an “Integrated Multiscale Science - Engineering Framework” was outlined and its impact on R&D and

Engineering analyzed.

− The White Book “Multiscale Science – Engineering Integration – A New Frontier for Aeronautics, Space

and Defense (May 2003) promoted by Italian Association of Aeronautics and Astronautics (AIDAA)

introduced the concept of “Strategic Multiscale” and a more refined version of the related Integrated

Framework.

− A Framework version specifically conceived for Industrial Applications: “Integrated Multiscale Science

– Based Technology, Product and Process Development” was applied in the context of the consulting

cooperation with Alenia Aeronautica and Finmeccanica Group (November 2006). Consulting activities

with Alenia Aeronautica and Finmeccanica gave the birth to one of the largest R&D Project in the

Defense Area funded by Italian Ministry of Defense and named “Nanotechnology Multiscale Project”.

− The “Strategic Multiscale A New Frontier for R&D and Engineering” document which describes the

Formica Vision of the “Multiscale Science Engineering Integration” has contributed, in the last years, to

define the Computational Modeling Vision of the European Technology Platform for Advanced

Engineering Materials and Technologies (EUMAT).

− Multiscale Analyses and Studies were also carried out on behalf of Polytechnic of Milan and Turin and

in cooperation with University of Rome “La Sapienza” and University of Rome “Tor Vergata”. Seminars

and Lectures on Multiscale, in the recent years, were held at Polytechnic of Milan, Polytechnic of Turin,

Centro Sviluppo Materiali, Finmeccanica Group, Italian Ministry of Defense, Polimeri Europa (ENI

Group), University of Rome La Sapienza and University of Rome Tor Vergata.

Documents

Integrated Strategic Multiscale Framework