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Tutorial FF06—Advanced Manufacturing and Computational Tools for Reactive Materials Science

Dec 1, 2019
08:30 AM - 05:00 PM
Hynes, Level 2, Room 209

The tutorial will provide the attendees with a short course in advanced experimental and computational techniques as applied to the study of reactive materials.  In the experimental section, additive manufacturing techniques, specifically direct ink write (DIW), are discussed in this context.  The content will cover the tools, safety considerations for using this technique with reactive materials, challenges associated with material development and toolpath development. The goal of this section is to provide 3D printing novices with the background to start working in this area, while also providing experienced users with advanced tips and tricks to improve the quality of their prints.

The computational section will focus on the use of molecular and atomistic modeling as they pertain to reactive materials.  This content will contain a review of modern tools and state-of-the-art techniques for the modeling of energetic materials and their combination into a multiscale approach to describe material behavior.  The potential of these modeling approaches for the future of energetic materials, from manufacturing issues to advanced modeling of combustion fundamentals and applications, is also presented.

8:30 am
Practical Aspects of 3D Printing with Reactive Materials

Michael D. Grapes, Lawrence Livermore National Laboratory

Introduction to DIW Printing

A description of DIW in the context of all 3D printing techniques, highlighting ways that it is similar and different.

Materials for DIW Printing (DIW “Inks”)

What are the characteristics of a good DIW ink? How are inks made? How are they tested? Illustrate with specific examples of both inert and reactive inks.

Hardware for DIW Printing

Schematic of a typical DIW printer. Highlight options for materials dispensing and their relative strengths and weaknesses, illustrated with examples.

10:00 am BREAK

10:30 am
DIW Print Design

DIW presents unique challenges for print (toolpath) design.  Common design decisions are highlighted, including how material properties and the choice of hardware influence the outcome.  Introduction to G-code, manual code development and automated code construction and post-processing.

Mixed and Multimaterial Printing for Reactive Materials

Reactive materials consist of physical mixtures of two or more reactants.  Rather than printing a pre-mixed material, these reactants can be mixed on-the-fly or simply deposited in close proximity to each other.  This section will review techniques and special considerations for both approaches.

1:30 pm
Atomic-Scale Modeling Tools for Investigating Reactive Materials and Processes

Santanu Chaudhuri, Argonne National Laboratory

A review of modern tools for the modelling of energetic materials (including DFT, Molecular Dynamics, force fields and more phenomenological modelling tools) and their combination into a multiscale approach.

An overview of the state of the art, using atomic-scale modelling in the specific context of energetic and reactive materials.

3:00 pm BREAK

3:30 pm

The potential of these modelling approaches for the future of energetic materials, from manufacturing issues to advance modelling of combustion fundaments and applications.