Session: Rising Stars of Mechanical Engineering Celebration & Showcase

Paper Number: 148996

148996 - Nonlinear Rod Mechanics and Inverse Models Inspired by Biological Filaments 

This research focuses on the mechanics of biological filaments, specifically how their mechanical deformability is influenced by atom-level details of their chemical structures. Understanding the deformation behavior of biological filaments, which form the basis of genetic material and biological tissues, is crucial for bioengineering and medicine. This study aims to bridge a significant gap by developing an inverse approach using a nonlinear computational rod model to estimate the constitutive laws of thin filaments from all-atom simulations and physical experiments.

The primary objective is to develop an inverse method within a rod model framework for estimating the constitutive laws of thin filaments based on data from molecular dynamics (MD) simulations and physical experiments. This approach will eliminate the need for a priori assumptions about the form of constitutive laws, which can be nonlinear, coupled, and non-homogeneous. By leveraging advanced state estimation techniques, the method will robustly handle uncertainties and noise in the deformation data to accurately estimate the internal forces and moments, crucial for understanding the mechanics of these filaments. This approach will provide a systematic and robust method for deriving the bulk-scale constitutive law of filaments in bending and torsion without making any assumptions on the functional form of the constitutive law.

The second objective is to analyze how spatial configurations of atoms and bond potentials individually influence the constitutive laws. This involves studying various atomic structures to determine factors that lead to coupling in constitutive laws and examining whether nonlinear constitutive behavior can emerge from simple harmonic bond potentials. This analysis is critical for designing filaments with specific mechanical properties by altering their atomistic structures. By understanding the intricate relationships between atomic configuration and mechanical properties, this research will lay the groundwork for manipulating biological filaments to enhance their functionality.

The developed methodologies will enable the mechanical design of biological filaments at the atomistic level, potentially transforming gene therapy and treatments for diseases like cancer. For instance, manipulating mechanical and chemical signals of genetic material could revolutionize gene therapy or lead to new treatments for cancer. This foundational research in mechanical engineering will significantly impact bioengineering applications and expand the theoretical understanding of material mechanics. The ability to design DNA sequences with specific mechanical behaviors through mechanical coding could transform the way we approach medical treatments and bioengineering solutions.

Furthermore, this work will transform the way engineering students learn about the mechanics of materials. By developing educational tools and virtual labs, students will gain hands-on experience with the principles of beam mechanics and the novel concepts derived from this research. This integrated educational approach will enhance the learning experience for engineering students and provide them with valuable insights into the connection between atomistic details and macroscopic mechanical properties.

Ultimately, this research bridges engineering, technology, basic science, and mathematics, offering novel insights and educational opportunities for students and educators alike. Through its interdisciplinary approach and potential applications, it stands to make significant contributions to both fundamental science and practical engineering education.

Presenting Author: Sachin Goyal University of California

Presenting Author Biography: Sachin Goyal is an Associate Professor in the Department of Mechanical Engineering at the University of California, Merced. He holds a Ph.D. and M.S. in Mechanical Engineering and Scientific Computing from the University of Michigan, Ann Arbor, and a B.Tech in Mechanical Engineering from the Indian Institute of Technology, Varanasi. His core expertise lies in nonlinear continuum mechanics, computational dynamics, and controls, with cross-disciplinary work in single-molecule experiments, theoretical biophysics, and molecular biology.

Dr. Goyal has made significant contributions to the field through his development of computational models that bridge the gap between atomistic simulations and continuum mechanics. His innovative research has earned him numerous accolades, including the prestigious NSF CAREER Award in 2021. He is also known for his interdisciplinary approach, integrating engineering with health science to address complex problems in prosthetics and neurodegenerative diseases.

In addition to his research, Dr. Goyal is actively involved in academic service and leadership. He has served on the executive committee of the Health Science Research Institute (HSRI) since 2017 and holds leadership roles in the American Society of Mechanical Engineers (ASME). His dedication to education is evident through his development of virtual labs and educational tools to enhance the learning experience for engineering students.

Ultimately, Dr. Goyal's work bridges engineering, technology, basic science, and mathematics, offering novel insights and educational opportunities for students and educators alike.

Authors:

Muhammad Hassaan Ahmed University of California
Sachin Goyal University of California