Event Information
Dates: August 13–15, 2013
Workshop scope and format
The DOE Office of Basic Energy Sciences Advisory Committee (BESAC) report From Quanta to the Continuum: Opportunities for Mesoscale Science identified six (6) Priority Research Directions (PRDs) for mesoscale science. Three (3) PRDs most directly overlap with the Lawrence Livermore National Laboratory's interests, capabilities and competencies:
- Mastering Defect Mesostructure and its Evolution
- Optimizing Transport and Response Properties by Design and Control of Mesoscale Structure
- Directing Assembly of Hierarchical Functional Materials
As a result, the workshop focused on these topics. Moreover, an underlying theme of the workshop was the control and tailoring of interfaces towards targeted functionality and enhanced performance.
The structure of the workshop followed the general format used for the BES "Basic Research Needs" workshops.
Following a series of plenary and invited presentation, the workshop participants broke out into four (4) panels approximately aligned with the three topics indicated above:
- Panel 1: Super-grain structures and collective microstructural phenomena
Chairs: James Stolken (LLNL) and Tony Rollett (CMU) - Panel 2: Defect interactions from dislocations to grains and shear bands
Chairs: Robert Rudd (LLNL) and Christian Mailhiot (WSU) - Panel 3: Directed assemblies and collective phenomena at the mesoscale
Chairs: Tony van Buuren (LLNL), Chris Orme (LLNL), Yong Han (LLNL) and Geoff Strouse (FSU) - Panel 4: Mesoscale architectures in advanced manufacturing
Chairs: Chris Spadaccini (LLNL) and Bill Carter (HRL)
The responsibilities of the panelists were to present a perspective with a view towards the future (e.g., not a retrospective of accomplishments in their respective field of expertise), including: challenges and opportunities, research directions, knowledge gaps, scientific approach and methods, impact, and cross-cutting capabilities.
The break-out panel topics included a discussion and integration of cross-cutting capabilities:
- Synthesis and fabrication
- Advanced characterization
- Modeling and simulation
Background
Broadly defined, the field of mesoscale science connects the microscopic and macroscopic worlds. The differences in sizes, arrangements, complexity, and operating principles between microscopic objects (atoms and molecules) and macroscopic assemblies (chemically and structurally complex bulk materials) are enormous. However, these entities are linked and connected by a series of intermediate — or "mesoscale" — architectures and phenomena that can be experimentally probed and observed, theoretically understood, and ultimately physically controlled, manipulated, and tailored. Mesoscale science encompasses the observation, understanding, and control of these intermediate-scale architectures and phenomena.
The systematic investigations of mesoscale architectures and phenomena — ubiquitous as the hierarchical "staircase" connecting atoms to bulk materials — are somewhat in their infancy, but offer unprecedented opportunities. Because of the ever-accelerating advances in modern experimental, theoretical, and computational capabilities, the opportunities afforded by mesoscale science can now be seized – and the benefits resulting from controlling and mastering mesoscale architectures can be fully exploited to create and optimize new functionality.
A set emerging basic research needs in the field of mesoscale science has been identified and documented in a report from the DOE Office of Basic Energy Sciences (BES) Advisory Committee (BESAC) entitled From Quanta to the Continuum: Opportunities for Mesoscale Science. This report broadly outlines the status of knowledge in the field, the challenges and opportunities, and the benefits of mastering mesoscale science phenomena.
Agenda
Tuesday, August 13, 2013
| 8:00 a.m. | Westgate Badge Office | |
| 8:30 a.m. | Welcome | G. Fox (LLNL) |
| 8:35 a.m. | LLNL Mission Needs in Mesoscale Science | G. Fox (LLNL) |
| 9:00 a.m. | LLNL Mission Needs in Mesoscale Engineering | A. Krishnan (LLNL) |
| 9:30 a.m. | Mesoscopic Phenomena in Metal Microstructures | C. Schuh (MIT) |
| 10:15 a.m. | Break | |
| 10:30 a.m. | Modeling Materials at the Mesoscale | D. Srolovitz (U. Penn) |
| 11:15 a.m. | Connecting Atomistic Processes to Device Performance with Quantified Uncertainties | A. Strachan (Purdue) |
| 12:00 p.m. | Lunch by Invite | |
| 1:30 p.m. | Overview of the BESAC Mesoscale Science Report and Townhalls | J. Hemminger (UC Irvine) |
| 2:30 p.m. | Break | |
| 2:40 p.m. | Breakout Sessions Mesoscale Science Presentations and Discussions |
|
| Panel 1: Super-grain Structures and Collective Microstructural Phenomena Chairs: James Stolken (LLNL) and Tony Rollett (CMU) |
Bldg. 170 R2107 | |
| Panel 2: Defect Interactions from Dislocation to Grains and Mesostructure Evolution Chairs: Robert Rudd (LLNL) and Christian Mailhiot (WSU) |
Bldg. 170 R1091 | |
| Panel 3: Directed Assemblies and Collective Phenomena at the Mesoscale Chairs: Tony Van Buuren (LLNL), Yong Han (LLNL) and Geoff Strouse (FSU) |
Bldg. 170 R1092 | |
| Panel 4: Mesoscale Architectures and Advanced Manufacturing Chairs: Chris Spadaccini (LLNL) and Bill Carter (HRL) |
Bldg. 1739 R1020 | |
| 5:00 p.m. | Adjourn | |
| 6:00 p.m. | No-Host Dinner |
Wednesday, August 14, 2013
| 9:00 a.m. | Breakout Sessions Identify Priority Research Directions |
|
| Panel 1: Super-grain Structures and Collective Microstructural Phenomena Chairs: James Stolken (LLNL) and Tony Rollett (CMU) |
Bldg. 170 R2107 | |
| Panel 2: Defect Interactions from Dislocation to Grains and Mesostructure Evolution Chairs: Robert Rudd (LLNL) and Christian Mailhiot (WSU) |
Bldg. 170 R1091 | |
| Panel 3: Directed Assemblies and Collective Phenomena at the Mesoscale Chairs: Chris Orme (LLNL), Yong Han (LLNL) and Geoff Strouse (FSU) |
Bldg. 170 R1092 | |
| Panel 4: Mesoscale Architectures and Advanced Manufacturing Chairs: Chris Spadaccini (LLNL) and Bill Carter (HRL) |
Bldg. 1739 R1020 | |
| 12:30 p.m. | No-Host Lunch | |
| 2:00 p.m. | Breakout Sessions Prepare to report out | |
| Panel 1: Super-grain Structures and Collective Microstructural Phenomena Chairs: James Stolken (LLNL) and Tony Rollett (CMU) |
Bldg. 170 R2107 | |
| Panel 2: Defect Interactions from Dislocation to Grains and Mesostructure Evolution Chairs: Robert Rudd (LLNL) and Christian Mailhiot (WSU) |
Bldg. 170 R1091 | |
| Panel 3: Directed Assemblies and Collective Phenomena at the Mesoscale Chairs: Chris Orme (LLNL), Yong Han (LLNL) and Geoff Strouse (FSU) |
Bldg. 170 R1092 | |
| Panel 4: Mesoscale Architectures and Advanced Manufacturing Chairs: Chris Spadaccini (LLNL) and Bill Carter (HRL) |
Bldg. 1739 R1020 | |
| 3:30 p.m. | Report Out | B170 R1091/1092 |
| 3:40 p.m. | Panel 1 Report Out | |
| 4:00 p.m. | Panel 2 Report Out | |
| 4:20 p.m. | Panel 3 Report Out | |
| 4:40 p.m. | Panel 4 Report Out | |
| 5:00 p.m. | Adjourn | |
| 6:00 p.m. | No-Host Dinner |
Thursday, August 15, 2013
| 9:00 a.m. | Write Report Chairs, Co-Chairs and Panelists | B170 R1091/1092 |
| 12:00 p.m. | Adjourn |
Breakout Sessions
Breakout Panel 1: Super-Grain Structures and Collective Microstructural Phenomena
August 13, 2013
| 2:40 p.m. | Overview and Charge to the Panel |
| 3:00 p.m. | Topic 1: Granular Systems (20 min. per speaker) T. Antoun (LLNL), D. Penumadu (UTenn), C. Schuh (MIT) |
| 4:00 p.m. | Audience Input and Panel Discussion |
| 4:30 p.m. | Topic 2: Microstructures and Mechanics (20 min. per speaker) T. Rollett (CMU), N. Barton (LLNL), A. Beaudoin (UIUC), J. Stolken (LLNL) |
| 5:00 p.m. | Adjourn |
August 14, 2013
| 9:00 a.m. | Topic 2: Microstructures and Mechanics (20 min. per speaker) Continued from Day 1 T. Rollett (CMU), N. Barton (LLNL), A. Beaudoin (UIUC), J. Stolken (LLNL) |
| 10:00 a.m. | Audience Input and Panel Discussion |
| 10:30 a.m. | Topic 3: Statistical Mechanics Tools (20 min. per speaker) D. Fullwood (BYU) and P. Duxbury (Mich. State) |
| 11:15 a.m. | Topic 4: Emerging Experiments (Joint w/Panel2, 20 min. per speaker) J. Bernier (LLNL) and D. Penumadu (UTenn.) |
| 11:55 a.m. | Audience Input and Panel Discussion |
| 12:30 p.m. | Lunch |
| 2:00 p.m. | Panel to Prepare for Report Out |
| 3:30 p.m. | Report Out |
Breakout Panel 2: Defect Interactions from Dislocation to Grains and Mesostructure Evolution
August 13, 2013
| 2:30 p.m. | Advanced Batteries, B. Kozinsky (Bosch) |
| 2:50 p.m. | Challenges and Opportunities for Mesoscale Modeling of Electrochemical Systems, B. Wood (LLNL) |
| 3:05 p.m. | Characterization of Mesoscale Materials for Energy Storage Using Synchrotron Light Sources, J. Lee (LLNL) |
| 3:20 p.m. | Panel Discussion: Energy Storage with Mesoscale Architecture E. Duoss, T.W. Heo, B. Kozinsky, J. Lee, T. Haximali and B. Wood |
| 3:45 p.m. | Break |
| 4:00 p.m. | Challenges of Dislocation Dynamics in Pure Metals Alloys, W. Cai (Stanford) |
| 4:20 p.m. | Dislocation Dynamics Interacting with Grain Boundaries and Other Non-Dislocation Microstructure, T. Arsenlis (LLNL) |
| 4:35 p.m. | Panel Discussion: Mesoscale Plasticity T. Arsenlis, V. Bulatov, W. Cai, G. Campbell, J. Marian, R. Rudd, and D. Srolovitz |
| 5:00 p.m. | Adjourn |
August 14, 2013
| 9:00 a.m. | Dynamic Transmission Electron Microscopy for Mesoscale Characterization, G. Campbell (LLNL) |
| 9:15 a.m. | Radiation Damage and Phase Change at the Mesoscale, J. Marian (LLNL) |
| 9:30 a.m. | Co-Evolution of Dislocation and GB Microstructures at the Mesoscale, V. Bulatov (LLNL) |
| 9:45 a.m. | Panel Discussion: Mesoscale Microstructural Evolution V. Bulatov, W. Cai, G. Campbell, J. Marian and D. Srolovitz |
| 10:10 a.m. | Break |
| 10:20 a.m. | Mesoscale Science with Large-Scale Computing, D. Richards (LLNL) |
| 10:35 a.m. | Surface Growth with Mesoscale Features, L. Zepeda (LLNL) |
| 10:50 a.m. | Panel Discussion: Large-Scale Computer for Mesoscale Science, T. Arsenlis, T. Oppelstrup, D. Richards, E. Schwegler and L. Zepeda |
| 11:15 a.m. | Joint Session with Breakout 1: In Situ Characterization of Mesoscopic Structure in Materials |
| 12:30 p.m. | Lunch |
| 2:00 p.m. | Produce Viewgraphs on Priority Research Directions |
| 5:00 p.m. | Adjourn |
Breakout Panel 3: Directed Assemblies and Collective Phenomena at the Mesoscale
August 13, 2013
| 2:40 p.m. | Overview of the breakout session (Co-chairs) |
| Theme: Synthesis and assembly of particles | |
| 3:00 p.m. | Nano-Assembly by Design: from Structural Diversity to Tailored Materials, O. Gang (Brookhaven National Laboratory) |
| 3:30 p.m. | Rapid Synthesis, Functionalized and Assembly of Materials, Y. Han (LLNL) |
| 3:40 p.m. | TBD, C. Orme (LLNL) |
| 3:50 p.m. | What does the Mesoscale have to do with Nanomagnets? G. Strouse (Florida State University) |
| 4:20 p.m. | Electrophoretic Deposition of Materials, A. Pascall (LLNL) |
| 4:30 p.m. | Discussion |
| 5:00 p.m. | Adjourn |
August 14, 2013
| Theme: Collective Phenomena | |
| 9:00 a.m. | Three-Dimensionally Mesostructured Current collectors for High Power and Energy Density Secondary Batteries and Supercapacitors, P. Braun (University of Illinois, Urbana Champaign) |
| 9:30 a.m. | Hierarchical Graphene-based Assemblies, M. Worsley (LLNL) |
| 9:40 a.m. | Challenges and Opportunities for Mesoscale Modeling of Electrochemical Systems, B. Wood (LLNL) |
| 9:50 a.m. | Investigating Short-Pulse Shock Initiation in HMX-Based Explosives with Reactive Meso-Scale Simulations, K. Springer (LLNL) |
| 10:00 a.m. | Discussion/Break |
| Theme: Characterization at the Mesoscale | |
| 10:30 a.m. | Challenges (and Some Solutions) to Mesoscale Materials Characterization, M. Toney (Stanford Synchrotron Radiation Lightsource) |
| 11:00 a.m. | Characterization of Engineered Mesoscale Materials using Ultra-Small Angle X-ray Scattering, T. Willey (LLNL) |
| 11:10 a.m. | Probing Instability and Assembly Dynamics Using Ultrafast In-Situ Transmission Electron Microscopy, J. Mckeown (LLNL) |
| 11:20 a.m. | Discussion |
| Theme: Optimizing material properties at the Mesoscale | |
| 11:50 a.m. | Nanomaterials- Polymers Coupling in Multiscale Architectures for High-Performance Membranes, F. Fornasiero (LLNL) |
| 12:00 p.m. | Bioelectronics and Molecular Transport with Self-assembled Structures on Nanowire and Nanotube Templates, A. Noy (LLNL) |
| 12:10 p.m. | Discussion |
| 12:30 p.m. | Lunch |
| 2:00 p.m. | Breakout to prepare to report out |
| 3:30 p.m. | Report Out |
Breakout Panel 4: Mesoscale Architecture and Advanced Manufacturing
August 13, 2013
| 2:30 p.m. | Introduction and Goals for the Breakout, C. Spadaccini (LLNL) |
| 2:40 p.m. | Architected Materials and Metallic Microlattices, W. Carter (HRL) |
| 3:10 p.m. | Ultra-Stiff, Ultra-Light Mechanical Metamaterials, X. Zheng (LLNL) |
| 3:25 p.m. | Panel Discussion and Identification of New Directions and Critical Research Paths for Structural/Mechanical Architected Materials |
| 3:50 p.m. | Break |
| 4:00 p.m. | Architected Energetic Materials, K. Sullivan (LLNL) |
| 4:15 p.m. | Functional Materials, C. Spadaccini (LLNL) |
| 4:30 p.m. | Panel Discussion and Identification of New Directions and Critical Research Paths for Functional Architected Materials |
| 5:00 p.m. | Adjourn |
August 14, 2013
| 9:00 a.m. | Modeling and Simulations of Architected Materials, L. Valdevit (UC Irvine) |
| 9:30 a.m. | Modeling and Simulation of Cellular Silicones, T. Weisgraber (LLNL) |
| 9:45 a.m. | Panel Discussion and Identification of New Directions and Critical Research Paths for Modeling and Simulation of Architected Materials |
| 10:20 a.m. | Break |
| 10:30 a.m. | Manufacturing Processes – EPD and PµSL, J. Kuntz (LLNL) |
| 11:00 a.m. | Manufacturing Processes – Direct Ink Writing, E. Duoss (LLNL) |
| 11:30 a.m. | Panel Discussion and Identification of New Directions and Critical Research Paths for Manufacturing of Architected Materials |
| 12:15 p.m. | Lunch |
| 2:00p.m. | Produce Viewgraphs on Priority Research Directions |
| 3:30 p.m. | Rejoin Main Meeting to Report Out |
| 5:00 p.m. | Adjourn |
All Breakout Sessions
August 15, 2013
| 9:00 a.m. | Write Report (Co-chairs and Panelists) |
| 12:00 p.m. | Adjourn |
Committees and Contacts
Organizing Committee
- Yong Han (LLNL)
- Mukul Kumar (LLNL)
- Christian Mailhiot (WSU)
- Robert Rudd (LLNL)
- Eric Schwegler (LLNL)
- Chris Spadaccini (LLNL)
- Tony van Buuren (LLNL)
Administrative support
- Kim Elmore (LLNL)
