Control of Self-Assembly with Dynamic Programming

Abstract This conference paper updates a previously-reported methodology for establishing feedback control of self-assembly (Griffin et al. (2016b)). The methodology combines dimension reduction, supervised learning, and dynamic programming to obtain an optimal feedback control policy for reaching a desired assembled state. The strategy is further demonstrated, with both simulation and experimental results, for two applications: control of colloidal assembly (to produce perfect colloidal crystals) and control of crystallization from solution (to produce crystals of desired average size).

[1]  Martha A. Grover,et al.  Controlling assembly of colloidal particles into structured objects: Basic strategy and a case study , 2015 .

[2]  Diwakar Shukla,et al.  Markov State Models Provide Insights into Dynamic Modulation of Protein Function , 2015, Accounts of chemical research.

[3]  Zoltan K. Nagy,et al.  Nonlinear Model-Based Control of a Semi-Industrial Batch Crystallizer Using a Population Balance Modeling Framework , 2012, IEEE Transactions on Control Systems Technology.

[4]  Jay H. Lee,et al.  From robust model predictive control to stochastic optimal control and approximate dynamic programming: A perspective gained from a personal journey , 2014, Comput. Chem. Eng..

[5]  Richard D. Braatz,et al.  Control of self-assembly in micro- and nano-scale systems , 2015 .

[6]  Daniel J. Griffin,et al.  Data-Driven Modeling and Dynamic Programming Applied to Batch Cooling Crystallization , 2016 .

[7]  George G. Lendaris Adaptive dynamic programming approach to experience-based systems identification and control , 2009, Neural Networks.

[8]  R. Jack,et al.  Controlling crystal self-assembly using a real-time feedback scheme. , 2012, The Journal of chemical physics.

[9]  M. Grover,et al.  The construction and application of Markov state models for colloidal self-assembly process control , 2017 .

[10]  Ali N. Saleemi,et al.  The impact of direct nucleation control on crystal size distribution in pharmaceutical crystallization processes , 2009 .

[11]  Dimitri P. Bertsekas,et al.  Dynamic Programming and Suboptimal Control: A Survey from ADP to MPC , 2005, Eur. J. Control.

[12]  Michael A. Bevan,et al.  Feedback Controlled Colloidal Self‐Assembly , 2012 .

[13]  Eric M Furst,et al.  Directed colloidal self-assembly in toggled magnetic fields. , 2014, Soft matter.

[14]  Michael A Bevan,et al.  Optimal Feedback Controlled Assembly of Perfect Crystals. , 2016, ACS nano.

[15]  Xun Tang,et al.  Optimal Design of a Colloidal Self-Assembly Process , 2014, IEEE Transactions on Control Systems Technology.

[16]  S. Aloni,et al.  In situ TEM imaging of CaCO3 nucleation reveals coexistence of direct and indirect pathways , 2014, Science.

[17]  Andrew W. Long,et al.  Machine learning assembly landscapes from particle tracking data. , 2015, Soft matter.

[18]  P. Willmott,et al.  Pulsed laser vaporization and deposition , 2000 .

[19]  Ioannis G. Kevrekidis,et al.  Equation-free: The computer-aided analysis of complex multiscale systems , 2004 .

[20]  Michael F. Doherty,et al.  Faceted crystal shape evolution during dissolution or growth , 2007 .

[21]  Richard D. Braatz,et al.  Assessment of Recent Process Analytical Technology (PAT) Trends: A Multiauthor Review , 2015 .

[22]  James B. Rawlings,et al.  Model identification and control strategies for batch cooling crystallizers , 1994 .

[23]  G. Whitesides,et al.  Self-Assembly at All Scales , 2002, Science.

[24]  Carsten Hartmann,et al.  Optimal control of molecular dynamics using Markov state models , 2012, Math. Program..

[25]  Martha A. Grover,et al.  A comparison of open-loop and closed-loop strategies in colloidal self-assembly , 2017 .

[26]  Prashant Mhaskar,et al.  Predictive control of crystal size distribution in protein crystallization , 2005, Nanotechnology.

[27]  Michael F Hagan,et al.  Using Markov state models to study self-assembly. , 2014, The Journal of chemical physics.

[28]  Martha A. Gallivan,et al.  Optimization of a thin film deposition process using a dynamic model extracted from molecular simulations , 2008, Autom..

[29]  Z. Nagy,et al.  Parallel Solution of Robust Nonlinear Model Predictive Control Problems in Batch Crystallization , 2016 .

[30]  Martha A. Grover,et al.  Using MC plots for control of paracetamol crystallization , 2017 .