Derivation of Multiple Covarying Material and Process Parameters Using Physics-Based Modeling of X-ray Data

Gurdaman Khaira, Manolis Doxastakis, Alec Bowen, Jiaxing Ren, Hyo Seon Suh, Tamar Segal-Peretz, Xuanxuan Chen, Chun Zhou, Adam F. Hannon, Nicola J. Ferrier, Venkatram Vishwanath, Daniel F. Sunday, Roel Gronheid, R. Joseph Kline, Juan J. De Pablo, Paul F. Nealey

Research output: Contribution to journalArticlepeer-review


There is considerable interest in developing multimodal characterization frameworks capable of probing critical properties of complex materials by relying on distinct, complementary methods or tools. Any such framework should maximize the amount of information that is extracted from any given experiment and should be sufficiently powerful and efficient to enable on-the-fly analysis of multiple measurements in a self-consistent manner. Such a framework is demonstrated in this work in the context of self-assembling polymeric materials, where theory and simulations provide the language to seamlessly mesh experimental data from two different scattering measurements. Specifically, the samples considered here consist of diblock copolymers (BCP) that are self-assembled on chemically nanopatterned surfaces. The copolymers microphase separate into ordered lamellae with characteristic dimensions on the scale of tens of nanometers that are perfectly aligned by the substrate over macroscopic areas. These aligned lamellar samples provide ideal standards with which to develop the formalism introduced in this work and, more generally, the concept of high-information-content, multimodal experimentation. The outcomes of the proposed analysis are then compared to images generated by 3D scanning electron microscopy tomography, serving to validate the merit of the framework and ideas proposed here.

Original languageEnglish
Pages (from-to)7783-7793
Number of pages11
Issue number19
StatePublished - 10 Oct 2017

All Science Journal Classification (ASJC) codes

  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry


Dive into the research topics of 'Derivation of Multiple Covarying Material and Process Parameters Using Physics-Based Modeling of X-ray Data'. Together they form a unique fingerprint.

Cite this