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Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Scope & Importance/Impacts Chemistry underlies other breakout topics Chemistry underlies other breakout topics Chemical industry vs. broad definition Chemical industry vs. broad definition Catalysis: understanding particles morphology, Catalysis: understanding particles morphology, reactivity; what properties are important? reactivity; what properties are important? Manufacturing of nanoparticles and nanosystems; Manufacturing of nanoparticles and nanosystems; roles they play in chemical industry; classes roles they play in chemical industry; classes of chemistry and problems, chemical of chemistry and problems, chemical interactions (non-bonded interactions interactions (non-bonded interactions determining self-assembly; understanding determining self-assembly; understanding bonding for different classes of systems; how bonding for different classes of systems; how reliable are rate predictions? reliable are rate predictions? What few things can we do well to drive to the What few things can we do well to drive to the next level? next level?

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Page 1: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Scope & Importance/ImpactsScope & Importance/Impacts

Chemistry underlies other breakout topicsChemistry underlies other breakout topics

Chemical industry vs. broad definitionChemical industry vs. broad definition

Catalysis: understanding particles morphology, Catalysis: understanding particles morphology, reactivity; what properties are important?reactivity; what properties are important?

Manufacturing of nanoparticles and Manufacturing of nanoparticles and nanosystems; roles they play in chemical nanosystems; roles they play in chemical industry; classes of chemistry and problems, industry; classes of chemistry and problems, chemical interactions (non-bonded interactions chemical interactions (non-bonded interactions determining self-assembly; understanding determining self-assembly; understanding bonding for different classes of systems; how bonding for different classes of systems; how reliable are rate predictions?reliable are rate predictions?

What few things can we do well to drive to the What few things can we do well to drive to the next level?next level?

Page 2: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Scope & Importance/ImpactsScope & Importance/Impacts

Fundamental science & crosscutting chemical issues: Fundamental science & crosscutting chemical issues: non-covalent bonding; bonding; composition/morphology; non-covalent bonding; bonding; composition/morphology; self-assembly; reactivityself-assembly; reactivity

Modeling, simulation for discovery, process design & Modeling, simulation for discovery, process design & process controlprocess control

Characterization techniques and tools for the above: in-Characterization techniques and tools for the above: in-process and off-line; highly accurate vs. fast or cheap; process and off-line; highly accurate vs. fast or cheap; benchmarking vs. tool; performance-based (empirical) vs. benchmarking vs. tool; performance-based (empirical) vs. physiochemical properties testingphysiochemical properties testing

Chemical industry identified high-impact applications Chemical industry identified high-impact applications areas: catalysis, ceramics, coatings, sorbents, areas: catalysis, ceramics, coatings, sorbents, membranes, high-strength materials, composites (link to membranes, high-strength materials, composites (link to other breakouts)other breakouts)

Matrix of fundamental issues vs. applications areas that Matrix of fundamental issues vs. applications areas that relate to them? (application determines what needs to be relate to them? (application determines what needs to be measured and how accurately)measured and how accurately)

Page 3: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Current State of the ArtCurrent State of the Art

See Table 2 in chem industry implementation plan See Table 2 in chem industry implementation plan (next slide): offline tools; more examples to be (next slide): offline tools; more examples to be provided by session participants later, via emailprovided by session participants later, via email

Probe microscopiesProbe microscopies NMRNMR Etc.Etc.

In-process tools: very limited examples analogous In-process tools: very limited examples analogous to IBM example for semiconductor industry to IBM example for semiconductor industry presented this a.m. to measure product.presented this a.m. to measure product.

In-process tools are available to measure temp, gas In-process tools are available to measure temp, gas flow, pressure, etc.; need to link those to resulting flow, pressure, etc.; need to link those to resulting properties of productproperties of product

Not a lot known about catalystsNot a lot known about catalysts

Key question is where “nano” has special impact; Key question is where “nano” has special impact; emphasis is needed on fundamental theoretical emphasis is needed on fundamental theoretical understanding at nanoscale understanding at nanoscale

Page 4: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Current State of the Art; Offline Current State of the Art; Offline toolstools : Utility of various research tools in nanomaterial : Utility of various research tools in nanomaterial

property characterizationproperty characterizationNanomaterial PropertiesNanomaterial Properties

Research Tool ApplicationResearch Tool Application

Small AngleSmall Angle X-ray scatteringX-ray scattering

Mass SpectroscopyMass Spectroscopy Microscopy (SEM/TEM)Microscopy (SEM/TEM)

Particle sizeParticle size YesYes Yes (1000 particles/sec)Yes (1000 particles/sec) Yes (5000/hour SEM, TEM ?)Yes (5000/hour SEM, TEM ?)

Particle size distribution Particle size distribution YesYes YesYes YesYes

Bulk compositionBulk composition NoNoYes (photo ionization of Yes (photo ionization of sample)sample)

NoNo

Surface compositionSurface composition NoNo ?? YesYes

Surface composition-ligandsSurface composition-ligands NoNo ?? ??

Particle structureParticle structure(Architecture)(Architecture)

?? ??Aberration Corrected TEM Aberration Corrected TEM carbon sensitivity?carbon sensitivity?

Level of dispersion/aggregationLevel of dispersion/aggregation YesYes ?? Yes (if in matrix)Yes (if in matrix)

Particle shapeParticle shape ??Yes, with ion mobility Yes, with ion mobility measurementmeasurement

YesYes

Particle aspect ratioParticle aspect ratio ?? NoNo YesYes

Surface chargeSurface charge No?No? ?? ? ?

Surface functionality Surface functionality No?No? ? ? Yes? Yes?

Homogeneity/Heterogeneity (surface, size, Homogeneity/Heterogeneity (surface, size, composition)composition)

?? NoNo Yes (dependent on statistics)Yes (dependent on statistics)

Heterogeneity of populationHeterogeneity of population ?? ?? Depends on statisticsDepends on statistics

Heterogeneity of single particleHeterogeneity of single particle ?? ?? YesYes

? indicates utility still to be determined based on input from other experts

Page 5: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Vision for the FutureVision for the Future

To support and develop To support and develop instrumentation, metrology, instrumentation, metrology, and standards that enable and standards that enable rational design and rational design and manufacture of materials manufacture of materials through improved through improved understanding of mechanisms, understanding of mechanisms, processes, and structure – processes, and structure – property relationships at the property relationships at the nano/molecular levelnano/molecular level

Page 6: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

S&T Barriers: InstrumentationS&T Barriers: Instrumentation

Fundamental understanding of nanoscale Fundamental understanding of nanoscale phenomena; what atoms are there and where phenomena; what atoms are there and where are they?are they?

Measurement affects the system at the Measurement affects the system at the nanoscalenanoscale

Accuracy (quality as well as comparability) of Accuracy (quality as well as comparability) of measurement is not known with great certaintymeasurement is not known with great certainty

Background noise is significant issue, e.g., Background noise is significant issue, e.g., environmental impacts on measurement toolsenvironmental impacts on measurement tools

High accuracy vs. statistically significant High accuracy vs. statistically significant samplessamples

Limited data on when novel nanoscale Limited data on when novel nanoscale properties emergeproperties emerge

Page 7: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

S&T Barriers: ModelingS&T Barriers: Modeling

Fundamental understanding of nanoscale phenomena; Fundamental understanding of nanoscale phenomena; what atoms are there and where are they?what atoms are there and where are they?

Computer power; algorithm developmentComputer power; algorithm development

Need for accurate routine systematic benchmark data, Need for accurate routine systematic benchmark data, especially on novel nanoscale propertiesespecially on novel nanoscale properties

Deeper understanding of background noise, defects, and Deeper understanding of background noise, defects, and other external impacts that can make ideal model differ other external impacts that can make ideal model differ from the real worldfrom the real world

Need models for statistical design of experiments; Need models for statistical design of experiments; feedback to/from empirical resultsfeedback to/from empirical results

Incomplete data for models of nanoscale systems; and Incomplete data for models of nanoscale systems; and vice versa – incomplete models for data interpretation??vice versa – incomplete models for data interpretation??

Need experiments designed to delineate the Need experiments designed to delineate the fundamental chemistry and physicsfundamental chemistry and physics

To solve one single problem requires multiple modeling To solve one single problem requires multiple modeling disciplines – integration of disciplines is a problemdisciplines – integration of disciplines is a problem

Page 8: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

S&T Barriers: ManufacturingS&T Barriers: Manufacturing Common problem for both top-down & bottom-up Common problem for both top-down & bottom-up

processes often is lack of precise controlprocesses often is lack of precise control

Controlling what atoms are there and where are theyControlling what atoms are there and where are they

Real-time process control & feedback; knowing what Real-time process control & feedback; knowing what process parameters control, monitoring the process; then process parameters control, monitoring the process; then controlling these parameters in real timecontrolling these parameters in real time

Scale-upScale-up

Art vs. science: repeatability; no two people working on Art vs. science: repeatability; no two people working on same system; latent variables you don’t know you need to same system; latent variables you don’t know you need to controlcontrol

Best practices for handling materials during and after Best practices for handling materials during and after manufacture, both from EHS and stability/aging/shelf life manufacture, both from EHS and stability/aging/shelf life points of view – lack of understanding of surfaces of points of view – lack of understanding of surfaces of nanomaterials; cost trade-offs in determining optimal nanomaterials; cost trade-offs in determining optimal handling procedureshandling procedures

Correlation between measurements in ideal laboratory Correlation between measurements in ideal laboratory environment vs. real world conditionsenvironment vs. real world conditions

Page 9: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

S&T Barriers: Manufacturing, Self S&T Barriers: Manufacturing, Self AssemblyAssembly

““At present, the best techniques to produce large At present, the best techniques to produce large numbers of nanoscale systems are self-assembly numbers of nanoscale systems are self-assembly techniques, which are only likely to produce fairly regular techniques, which are only likely to produce fairly regular structures with low information content. These simple structures with low information content. These simple structures contrast to the components found in today’s structures contrast to the components found in today’s computers, which derive their capabilities from the great computers, which derive their capabilities from the great complexity that has been imposed by human designers.” complexity that has been imposed by human designers.” -- -- http://www.nano.gov/html/res/small_wonders_pdf/smallwonder.pdf

Yes, only simple structures are accessible currently from Yes, only simple structures are accessible currently from man-made materials. man-made materials.

But we know more is possible:But we know more is possible:

In biological systems, self-assembly produces remarkable In biological systems, self-assembly produces remarkable structuresstructureswhose depths of information content are yet to be fully whose depths of information content are yet to be fully explored. explored.

Why??Why?? Highly directional interactionsHighly directional interactions.. Need process methods to make anisotropic building blocks.Need process methods to make anisotropic building blocks. Need to characterize particle anisotropy.Need to characterize particle anisotropy. Need measurements of anisotropic interparticle forces.Need measurements of anisotropic interparticle forces. Need efficient computational methods to develop design rules.Need efficient computational methods to develop design rules.

Page 10: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Future R&D DirectionsFuture R&D Directions Identify model systems (e.g., the next “fruit fly” or the gold Identify model systems (e.g., the next “fruit fly” or the gold

nanoparticle reference material) that would be of highest nanoparticle reference material) that would be of highest priority; need a few model systems that are of interest to priority; need a few model systems that are of interest to multiple agencies and industries in a coordinated program. multiple agencies and industries in a coordinated program. Potential candidates include:Potential candidates include:

CNTs for purity and separation (initial project underway at NIST/NASA)CNTs for purity and separation (initial project underway at NIST/NASA) Ultra-thin films of Si0Ultra-thin films of Si022 for dimensional metrology for dimensional metrology GaN nanowire GaN nanowire Ceramic supported platinumCeramic supported platinum Metal oxides (e.g., inert, catalytic, etc.)Metal oxides (e.g., inert, catalytic, etc.) Standard reference nanocomposite??Standard reference nanocomposite?? Models, measurements needed to assess exposure (e.g. for safety Models, measurements needed to assess exposure (e.g. for safety

testing)testing) Challenge to bracket chemical space w/ limited number of systemsChallenge to bracket chemical space w/ limited number of systems

Develop standard reference materials, better Develop standard reference materials, better measurements, better modelsmeasurements, better models

Instrumentation: tools that measure more than one Instrumentation: tools that measure more than one property; multi-platform, multi-modal (data fusion)property; multi-platform, multi-modal (data fusion)

3D assembly tools, instrumentation, protocols, processes3D assembly tools, instrumentation, protocols, processes

3D chemical characterization tools: elemental and molecular3D chemical characterization tools: elemental and molecular

Page 11: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Future R&D DirectionsFuture R&D Directions High-throughput characterization tools; either High-throughput characterization tools; either

in-process or offlinein-process or offline

Tools for measurement in real world Tools for measurement in real world environmental conditionsenvironmental conditions

Tools for measurement spanning multiple Tools for measurement spanning multiple length and time scales simultaneously length and time scales simultaneously

Techniques for separation and purificationTechniques for separation and purification

Tools for understanding chemical reactivity at Tools for understanding chemical reactivity at the interfacesthe interfaces

Tools for measuring and visualizing chemical Tools for measuring and visualizing chemical dynamics; time-resolved chemistrydynamics; time-resolved chemistry

Page 12: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Infrastructure NeedsInfrastructure Needs

IT infrastructureIT infrastructure Exchange and interoperability of dataExchange and interoperability of data; meta-data; ; meta-data;

ontology/data dictionaries (e.g., similar to program in ontology/data dictionaries (e.g., similar to program in place already in the cancer research community); place already in the cancer research community); XML-based applicationsXML-based applications

Interoperability between data from experiments and Interoperability between data from experiments and simulationsimulation, and between simulation methods (e.g., , and between simulation methods (e.g., what was done for World Trade Center collapse what was done for World Trade Center collapse analysis)analysis)

Information management and databasesInformation management and databases, e.g., tracking , e.g., tracking of products on the market currently, impendingof products on the market currently, impending

Economic analysesEconomic analyses, growth projections with published , growth projections with published methodologymethodology

Physical property measurements database Physical property measurements database for chemicals/materials at the nanoscalefor chemicals/materials at the nanoscale

Chemweb book at the nanoscaleChemweb book at the nanoscale Nanoparticle information library (new NIOSH project)Nanoparticle information library (new NIOSH project)

Page 13: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

The Problem in Materials Design(analogous problem in chemicals)

If we are interested in perhaps 50 elements on the periodic table, there are:

2,500 binary combinations, 125,000 ternary combinations, etc. . . .

How to vary concentration and distribution? Materials with identical chemical compositions can have totally different mechanical properties, depending upon processing and dimensions (nano vs. macro)

Screening classes of materials prior to a synthesis and testing cycle is essential.

The ever-increasing pace of science and technology has already outstripped our ability to produce needed data.

Page 14: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Numberof atoms

1 10 100 1000 104 105 …10n

Electronic

Optical

Magnetic

Mechanical

Thermal

Reactivity

Structure

For pure material X: ^

^ ^ ^

^

^

^

^

^^

^How do these points change as X is doped with Y?For other AB binaries? For XYA ternary compounds….?

What is reasonable to try next? (For industrial design)What is reasonable to measure next? (For NIST to develop SR data)

All these properties may

be important for device or particle

performance

MorphologyWhat can

we currently

measure to provide

data and guidance?

What can we

calculate?

Where are the gaps?

The Problem for Design of Nanoproperties: The Problem for Design of Nanoproperties: As size decreases, at As size decreases, at what point do qualitatively different properties emerge? How do what point do qualitatively different properties emerge? How do

these points change with material and property? With temperature, these points change with material and property? With temperature, pressure, and environment?pressure, and environment?

Page 15: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

We can’t measure everything

We can’t calculate everything either…

Uncertainty

Data

Measurement

Model

Measurement, data, and

models are all necessary to

quantify uncertainty

Objectives:

• To develop a synergy between experiment, theory, and modeling to delineate the essential physics required for quantitative predictions and transferability of models to novel systems.

•To develop guidelines and standards to achieve quantitative simulations

Page 16: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Implementation Strategies: Implementation Strategies: Federal (F), Academia (A), Industry (I), SDOs (S), Roadmap Federal (F), Academia (A), Industry (I), SDOs (S), Roadmap

(R)(R)

Define roadmap for reference materials; convene all Define roadmap for reference materials; convene all the interested parties: examine (a) widely available the interested parties: examine (a) widely available materials; (b) which materials have largest current & materials; (b) which materials have largest current & potential economic impact; (c) ability to derive potential economic impact; (c) ability to derive meaningful data set and what you can model; (d) meaningful data set and what you can model; (d) information already available; (e) consistent with information already available; (e) consistent with EHS issues; (f) potential users and their EHS issues; (f) potential users and their requirementsrequirements

XX XX XX XX XX

Define standardized operating procedures (SOPs) for Define standardized operating procedures (SOPs) for synthesis, sample preparation for measurement, synthesis, sample preparation for measurement, handling and storage, etc. for specific reference handling and storage, etc. for specific reference nanomaterials, e.g., start development of standard nanomaterials, e.g., start development of standard labeling and MSDS requirements: establish core labeling and MSDS requirements: establish core group of people to develop these.group of people to develop these.

XX XX xx xx

Develop standard meta-data formats for capture, Develop standard meta-data formats for capture, storage, interpretation of raw data for pedigree and storage, interpretation of raw data for pedigree and data quality evaluation, e.g., standard data quality evaluation, e.g., standard crystallography structure format (CCD), and crystallography structure format (CCD), and minimum information about micro-array experiment minimum information about micro-array experiment (MIAME): form teams of experts for different classes (MIAME): form teams of experts for different classes of measurements and instruments to develop and of measurements and instruments to develop and recommend to journals (NIST lead)recommend to journals (NIST lead)

xx xx xx xx

Strategy ElementStrategy Element F – A – I – S - RF – A – I – S - R

Page 17: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Implementation Strategies: Implementation Strategies: Federal (F), Academia (A), Industry (I), SDOs (S), Roadmap Federal (F), Academia (A), Industry (I), SDOs (S), Roadmap

(R)(R)

Establish & populate database of physical property data Establish & populate database of physical property data (nano chem/material webbook): “human genome (nano chem/material webbook): “human genome project” to map properties of the combinations of project” to map properties of the combinations of elements in the periodic table (chemicals & materials) elements in the periodic table (chemicals & materials)

xx xx xx

Support systematic (“non-glamorous”) evaluated Support systematic (“non-glamorous”) evaluated property measurements work (opportunity for property measurements work (opportunity for undergrad. education)undergrad. education)

XX XX XX

Support development of predictive multiscale models Support development of predictive multiscale models for discovery from physical property data and reference for discovery from physical property data and reference materials: fund multidisciplinary teams of modelers and materials: fund multidisciplinary teams of modelers and experimentalists; Federal agencies need to coordinate experimentalists; Federal agencies need to coordinate integration, HEC accessintegration, HEC access

XX XX

Develop predictive multiscale models for process Develop predictive multiscale models for process development, control, & predicting product development, control, & predicting product performance & life cycle: involve end-users in performance & life cycle: involve end-users in multidisciplinary development teams; Federal agencies multidisciplinary development teams; Federal agencies need to coordinate integration & access to HECneed to coordinate integration & access to HEC

XX XX XX

Strategy ElementStrategy Element F – A – I – S - RF – A – I – S - R

Page 18: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Implementation Strategies: Implementation Strategies: Federal (F), Academia (A), Industry (I), SDOs (S), Roadmap Federal (F), Academia (A), Industry (I), SDOs (S), Roadmap

(R)(R)

Develop instrumentation for real-time process Develop instrumentation for real-time process development, scale-up, control of mfg. processes, development, scale-up, control of mfg. processes, quality control, EHS monitoring & control: coordinate quality control, EHS monitoring & control: coordinate with instrument developers and manufacturers early in with instrument developers and manufacturers early in tool development; provide central funding for tool development; provide central funding for demonstration projects; enable tech transfer to demonstration projects; enable tech transfer to instrument vendorsinstrument vendors

XX XX XX

Develop nano-assembly/manipulation tools and Develop nano-assembly/manipulation tools and processes (research leading to manufacturing): fund processes (research leading to manufacturing): fund broad researchbroad research

XX XX XX

Develop advanced materials off-line characterization Develop advanced materials off-line characterization tools: emphasize ways of increasing functionality of tools: emphasize ways of increasing functionality of AFM, SEM, TEM multi-functionality, combinatorial AFM, SEM, TEM multi-functionality, combinatorial methods: fund integrated research teamsmethods: fund integrated research teams

XX XX XX

Continue fundamental Continue fundamental metrology/instrumentation/standards work at NIST, metrology/instrumentation/standards work at NIST, which provides underpinnings for coordinated which provides underpinnings for coordinated interagency activities and applications by industryinteragency activities and applications by industry

XX

Continue support for R&D on measurement science, Continue support for R&D on measurement science, novel instrumentationnovel instrumentation

XX

Strategy ElementStrategy Element F – A – I – S - RF – A – I – S - R

Page 19: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Implementation Strategies: Can a Roadmap be Implementation Strategies: Can a Roadmap be Defined?Defined?

If so it would be far short of the extensive and expensive If so it would be far short of the extensive and expensive activity that ITRS representsactivity that ITRS represents

Some participants questioned whether it is appropriate given Some participants questioned whether it is appropriate given that this area (metrology, instrumentation, and standards for that this area (metrology, instrumentation, and standards for chem. Mfg.) is far more diverse than the semiconductor mfg. chem. Mfg.) is far more diverse than the semiconductor mfg. Industry is today.Industry is today.

One step that might be doable is roadmap for reference One step that might be doable is roadmap for reference materials (see next slide for example)materials (see next slide for example)

Another might be a roadmap for nanoscale catalysts of Another might be a roadmap for nanoscale catalysts of various classesvarious classes

Even for nanomfg. instrumentation a roadmap could be Even for nanomfg. instrumentation a roadmap could be defined and could be useful; some participants still expressed defined and could be useful; some participants still expressed skepticism as to what the driver for such an effort would be or skepticism as to what the driver for such an effort would be or whether the resources could be made available; would need whether the resources could be made available; would need several more workshops like this ea. year; there was some several more workshops like this ea. year; there was some debate on this issue.debate on this issue.

There are lots of things we can do short of a roadmap that There are lots of things we can do short of a roadmap that might be in the direction of a roadmap, e.g., what this might be in the direction of a roadmap, e.g., what this workshop is tasked with, and that could provide foundation workshop is tasked with, and that could provide foundation for future roadmap efforts.for future roadmap efforts.

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Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Implementation Strategies: Implementation Strategies: Roadmap?Roadmap? Who are the roadmap users? Why do they need this?Who are the roadmap users? Why do they need this?

Both government (mission) agencies and industry; opportunity for Both government (mission) agencies and industry; opportunity for interagency coordinationinteragency coordination

Avoid duplication of effort; but competition is good between, e.g., Avoid duplication of effort; but competition is good between, e.g., instrument manufacturersinstrument manufacturers

For end-users, instrumentation is pre-competitive, but not for For end-users, instrumentation is pre-competitive, but not for instrument manufacturersinstrument manufacturers

EHS clearly is an area where there is an opportunity for mutually EHS clearly is an area where there is an opportunity for mutually beneficial pre-competitive R&Dbeneficial pre-competitive R&D

Infrastructure needs identified previously in this presentation are Infrastructure needs identified previously in this presentation are another area that might be ripe for roadmap and cooperative, pre-another area that might be ripe for roadmap and cooperative, pre-competitive R&Dcompetitive R&D

Identify which standard reference materials should come Identify which standard reference materials should come next. Criteria:next. Criteria:

Can be well characterized relatively easilyCan be well characterized relatively easily Possible examples:Possible examples:

Start with simple examples Metal oxides and particles first? Gold, over different sizes, e.g, 2 nm, 20 nm (currently under

development at NIST) Needs assessment for other possible examples

Page 21: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Cross-Cutting IssuesCross-Cutting Issues

EHS: separate chapter of report? Emphasize EHS: separate chapter of report? Emphasize development of compendium of EHS controls w/ development of compendium of EHS controls w/ supporting metrology/instruments/standardssupporting metrology/instruments/standards

Fundamental chemical and physical properties, per Fundamental chemical and physical properties, per discussion above under “scope” – overlap w/ all other discussion above under “scope” – overlap w/ all other breakout topics: non-covalent bonding breakout topics: non-covalent bonding (organic/organic interactions); separations; solubility; (organic/organic interactions); separations; solubility; bioavailability/bioperformance; dispersion; emulsion bioavailability/bioperformance; dispersion; emulsion stability; reactivity; directed self-assembly; bonding stability; reactivity; directed self-assembly; bonding (organic/inorganic interactions); (organic/inorganic interactions); composition/morphologycomposition/morphology

Metrology tools: Scale-up from small to large volume Metrology tools: Scale-up from small to large volume & vice versa& vice versa

Need for model systemsNeed for model systems

Multiscale modelingMultiscale modeling

Ontologies/dictionariesOntologies/dictionaries

Page 22: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Summary/Conclusions/PrioritiesSummary/Conclusions/Priorities

Integrated approach: data, models, theory, and Integrated approach: data, models, theory, and measurements to delineate the essential chemistry measurements to delineate the essential chemistry and physics for predictive multiscale model and physics for predictive multiscale model development with quantified uncertaintydevelopment with quantified uncertainty

““Human Genome Project” for mapping chemical Human Genome Project” for mapping chemical and physical properties of nanomaterialsand physical properties of nanomaterials

Development of suite of model reference materials: Development of suite of model reference materials: parallel development of ideal systems & complex parallel development of ideal systems & complex (real-world) systems(real-world) systems

Emphasis on need for development of real-time Emphasis on need for development of real-time “online” measurement tools; simple surrogate “online” measurement tools; simple surrogate teststests

Development of SOPs for synthesis, sample prep., Development of SOPs for synthesis, sample prep., etc.etc.

Page 23: Chemicals Breakout Report-Out Workshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06 Scope & Importance/Impacts Chemistry

Chemicals Breakout Report-OutWorkshop on Instrumentation, Metrology, and Standards for Nanomanufacturing, 10/17-19/06

Sidebars for Sidebars for Report/AssignmentsReport/Assignments Pinar – characterization by surface wavesPinar – characterization by surface waves

John Henry Scott – nanoparticle characterization via TEMJohn Henry Scott – nanoparticle characterization via TEM

David D. – highlights of realtime characterization of David D. – highlights of realtime characterization of nanoparticle production processnanoparticle production process

John Henry – one example of current 3D characterization; John Henry – one example of current 3D characterization; rubic’s cube sliderubic’s cube slide

Steve Strannick – nano-opticsSteve Strannick – nano-optics

Ask M. Postek to ask someone from Alis & Imago to write Ask M. Postek to ask someone from Alis & Imago to write up helium ion microscope and atom probeup helium ion microscope and atom probe

Anne Chaka – “fruitfly” example of model systemAnne Chaka – “fruitfly” example of model system

Diane Poster – current nano-related reference materials Diane Poster – current nano-related reference materials available or under development?available or under development?

?? – Automotive (IC &/or fuel cell) catalysts: Ellen Stechel ?? – Automotive (IC &/or fuel cell) catalysts: Ellen Stechel & Brian Valentine& Brian Valentine