Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Composites and Materials Composites and Materials  Scope (note that this refers to the areas of discussion – not intended to be all-inclusive): Instrumentation, Standards and Metrology for Organic and Inorganic Nanocomposite Products; as well as associated:  Free Standing Structures (e.g. wings)  Engineered coatings and thin films  Inclusions: Nanoparticles (3D), Nanotubes (2D), Nanoclays (1D) NNI def. of nano  Importance (already here)  Automotive, aerospace, building materials, chemicals,electronics,etc  Impacts – all phases of the Product Design Cycle  Predictive Product Design  Controllable Processing/Mfg techniques  Supply Chain Consistency  Ultimate Functionality and Product capability/reliability  Product stewardship (EHS for manufacturers and consumers; life-cycle and end- of-life issues, e.g. recycling)

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Current State of the Art: Point Solutions Application-specific Application-specific  Structural member vs. coating, electrical vs. mechanical etc Value Stage Dependent Value Stage Dependent  Integrators had different needs than raw materials suppliers (e.g. Designer might be most concerned with a great new material, while the producer is more concerned with consistent output on the line)  Current SOA is insufficient in its limits of detection to meet the needs  Modulus to 10 nm  Need to understand structure, chemistry, properties on an ever-decreasing scale (this scale is advancing more quickly than our ability to provide) Mfg Volume Dependent Mfg Volume Dependent  300 aircraft wings vs 3M auto bumpers Institutional Variability Institutional Variability  Not everyone has access to the same “state of the art” Current macro metrics must be met/exceeded for new material acceptance (old tests)

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Vision for the Future Integrated approach to multiscale component / product development and predictive capability Integrated approach to multiscale component / product development and predictive capability  Requires reliability/consistency (consistency can be designed around) (quality)  Enable broad applicability of solutions  As you change length/time scales, predictions should still be valid (especially modeling—need sufficient degree of accuracy)  Transfer from lab/drawing table to reality  Validation/verification of data at all stages (lab through performance)  Design for multi-component systems (interfaces important) Seamless communications between computational modeling world and applied R&D world Seamless communications between computational modeling world and applied R&D world Cradle-to-grave representation of performance / predictive capability – how does small sample test result relate to actual performance of product… Cradle-to-grave representation of performance / predictive capability – how does small sample test result relate to actual performance of product… Toolbox that enables one to create a system that will behave in a predictable and desired fashion, and then create it in the lab and as a product Toolbox that enables one to create a system that will behave in a predictable and desired fashion, and then create it in the lab and as a product  Modeling  Raw Materials synthesis  Characterization  Processing EHS controls/protocols implemented and sustainable EHS controls/protocols implemented and sustainable EHS Processing Properties Performance

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scientific and Technological Barriers Modeling Modeling  Modeling does not yet allow one to predict material properties and product performance based on inputs of raw materials, and processing.  Metrology to support such modeling often does not exist  Does not yet provide smooth continuum in scale.  Not sensitive to end need (performance) in complex systems  We often do not know what it is we need to model  Interdependency issues Metrology Metrology  Needs are approaching and going beyond the theoretical limits of current techniques; we lack basic understanding of nanocharcterization. New tools are needed (ex: nanotomography)  Our ability to make fundamental measurements (force, length, voltage, etc.) outstrips our ability to usefully interpret the data through analytic and computational models.  Unmet need for characterization of interfacial properties (particle-particle, particle-matrix, particle-coating, film-substrate, etc.)  Needle-in-a-haystack problem / multiscale problem; How do you measure nanoparticles in a room? A defect in a nanotube?  Metrology needed to enable the needs of product manufacturing (cheap, fast, easy, operator independent)  Insufficient interoperability and standardization  Interdependency issues Limited Access to existing State of the art, especially for small businesses Limited Access to existing State of the art, especially for small businesses Insufficiently educated workforce Insufficiently educated workforce EHS is empirical and therefore lags discovery EHS is empirical and therefore lags discovery  Toxicity, exposure routes,  Effectiveness of PPE and engineering controls all experimentally determined

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Future R&D Directions Prediction Prediction  Computational Multiscale modeling  Reactivity, reaction pathways, real systems  Transfer function between lab and operating environment Processing Processing  Scale up, Scale up, Scale up  Need realistic sample volumes for macroscale testing as well as statistically valid nanoscale sampling Properties Properties  Interface Characterization  Nanotomography  Particle agglomeration, particle surface chemistry  Particle Mechanical Behavior EHS EHS

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Infrastructure needs Infrastructure for integration of experimental results and modeling Infrastructure for integration of experimental results and modeling  Toolbox of available models, materials, and processing methods in open domain that can be combined to give desired properties and perfomance.  Information management (including but not limited to data).  Technology for integrating parts of the toolbox (Integration technology).  Tools must cross time and length scales Metrology Metrology  Standard reference materials and methods  Ability to measure multiple properties simultaneously (magnetic, mechanical, electrical, optical, etc.) at the nanoscale in particular interfaces. More inter-agency (industry, gov’t, academia) and even international cooperation to solve pre-competitive issues (like Sematech). No single company can address these problems in a competitive way. More inter-agency (industry, gov’t, academia) and even international cooperation to solve pre-competitive issues (like Sematech). No single company can address these problems in a competitive way. Education at all levels (should be a major consideration for any interagency cooperative effort.) Education at all levels (should be a major consideration for any interagency cooperative effort.)

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Implementation Strategies: Federal Be a unifying force Be a unifying force Provide stewardship Provide stewardship Provide rules of engagement Provide rules of engagement Create MOU, define IP, etc Create MOU, define IP, etc Foster collaboration Foster collaboration Define roadmap that is sensitive to industrial needs and bring appropriate parties to the table. Define roadmap that is sensitive to industrial needs and bring appropriate parties to the table. Define limits of pre-competitive state Define limits of pre-competitive state Foster (and enforce?) EHS Foster (and enforce?) EHS Foster standardization Foster standardization

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Implementation Strategies: Int’l community U.S. needs to coordinate with EU (which has nanotech roadmaps), Asia (CNTs), China, Japan U.S. needs to coordinate with EU (which has nanotech roadmaps), Asia (CNTs), China, Japan

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Implementation Strategies: Academia Education Education Provide cross-disciplinary capabilities Provide cross-disciplinary capabilities Pursue high risk, limited reward, projects. Once others articulate truly difficult, longer term problems, work on these. Pursue high risk, limited reward, projects. Once others articulate truly difficult, longer term problems, work on these. Provide knowledge of R&D “pod” Provide knowledge of R&D “pod” Make suggestions to close gaps. Make suggestions to close gaps.

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Implementation Strategies: Industry Participate/commit to developing roadmap Participate/commit to developing roadmap Obtain commitment at no cost to gov’t Obtain commitment at no cost to gov’t Provide research requests and figures of merit Provide research requests and figures of merit Identify and articulate key specific end states (desires and goals). (Players at different parts of value chain have different end states.) Identify and articulate key specific end states (desires and goals). (Players at different parts of value chain have different end states.) Negotiate pre-competitive line (MOU) Negotiate pre-competitive line (MOU) Bring product to marketplace Bring product to marketplace Participate in standardization efforts Participate in standardization efforts

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Miscellaneous Small business: SBIR/STTR/corporate funding to handle work that is not glamorous but very important (ex: systematically characterizing dispersion as a function of processing for a specific material system.) Small business: SBIR/STTR/corporate funding to handle work that is not glamorous but very important (ex: systematically characterizing dispersion as a function of processing for a specific material system.) Consortia and trade organizations: Consortia and trade organizations:  Work on pre-competitive issues  Focus standardization efforts with the appropriate organizations (ASTM, ISO, IEEE)

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Cross-cutting issues Education Education Foster EHS Foster EHS Information management Information management Integration of modeling, materials, processing, properties, and performance. Further, all of these must be supported by metrology. Integration of modeling, materials, processing, properties, and performance. Further, all of these must be supported by metrology. Cradle to grave of products; sustainability (Ex: Does burning for disposal cause problems? First- responder issues?) Cradle to grave of products; sustainability (Ex: Does burning for disposal cause problems? First- responder issues?)

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Implementation Strategies: Roadmap? DiscoveryR&DProductionMarketDisposal Industry-specific goals Gov’t lead Industry lead Common goals

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Summary/Conclusions/Priorities Integration of modeling, materials, processing, properties, and performance. Integration of modeling, materials, processing, properties, and performance. Cross-cutting issues: EHS, metrology, education, information management. Cross-cutting issues: EHS, metrology, education, information management. Need to develop a roadmap for nano materials/composites with broad-based support. Need to develop a roadmap for nano materials/composites with broad-based support. Roles: Roles:  Industry needs to identify targets, metrics, and challenges;  government partners to facilitate, support, and inspire,  Academia educates and pursues fundamental research Industry-gov’t-academia consortia collectively bound pre-competitive steps on the roadmap. Industry-gov’t-academia consortia collectively bound pre-competitive steps on the roadmap.

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Issue: Don’t understand physical mechanisms Model NanoConsitituent interaction in complex resin system Tailor material system per requirements Issue: Can’t control material properties Dispersion/model interactions Validate modeling predictions Optimize system per requirements Issue: No standards for materials Establish acceptance criteria for material constituents and system Consistently produce material that meets targeted engineering requirements CoNECT Combines Three Needs Into One Solution Validated path for others to follow that unlocks the knowledge gate of nano

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Objective: Predict material properties Deliverables: Parametric model that allows for quick variable evaluations Technical Approach: Investigate nanotube interactions in a complex resin system by manipulating bond strength, volume percentage, etc. Investigate dispersion effects on material system Objective: Repeatably produce engineered material Deliverables: Quality-controlled manufacturing process for material system Technical Approach: Interactively work with modeling team on manufacturing challenges Use a building-block approach to manufacturing the modeled mechanisms to achieve targeted material properties Objective: Measurement criteria to evaluate manufacturing processes (constituents, modifications) to ensure reproducibility Deliverables: Standards, Specifications, Acceptance Test Technical Approach: Interactively work with modeling and material teams to identify critical mechanisms and processes that require quality criteria Set allowables Overview of Three Studies

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Increasing Performance Comes with Increased Complexity monomer Toughened resin systems Epoxy-resin systems Increasing Structural Benefits Increasing Polymer Complexity Today’s Material systems NanoModified Material systems Nanotubes “drop” mechanical properties Nanotubes “should” increase mechanical properties Tomorrow (CoNECT) Today

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Multi-Scale Modeling Continuum Molecular Dynamics Molecular Dynamics Monte Carlo Coarse Grain Monte Carlo Coarse Grain Micromechanics Finite Element Analysis Finite Element Analysis Today Tomorrow (CoNECT) Future Molecular Dynamics Molecular Dynamics Monte Carlo Coarse Grain Monte Carlo Coarse Grain Micromechanics Finite Element Analysis Finite Element Analysis Combined Analytical Method 100 characteristics Design material properties to meet requirement needs Design using requirements provided characteristics characteristics Model Enabled by bridging length scales No or limited links between length scales Significant links between length scales

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Depth of NanoValidation Today Tomorrow (CoNECT) Future Conductivity Indicator Validation Via Test Precedence Traditional Composite Metals Experimental Material Mechanical testingComponent testing Limited understanding Limited Testing

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Combined Efforts Scale Molecular Dynamics Molecular Dynamics Monte Carlo Coarse Grain Monte Carlo Coarse Grain Micromechanics Finite Element Analysis Finite Element Analysis Particle morphology, functionality, dispersion Particle morphology, functionality, dispersion Scalable Processes Scalable Processes Production Material Production Material Mechanical Testing Mechanical Testing Acceptable Morphology Acceptable Morphology Characterization Techniques Characterization Techniques Repeatable Processes Repeatable Processes Established and Published Standards Established and Published Standards Bridging the length scales of existing models CoNECT Enabler Design Allowables Design Allowables Industry Guidelines Industry Guidelines

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Participants/Contributors Text Text

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Sidebars for Report/Assignments Text Text

Composites Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 References Text Text