@article{devarapalli_kadambi_chen_krishna_kammari_buehler_ramamurty_reddy_2019, title={Remarkably Distinct Mechanical Flexibility in Three Structurally Similar Semiconducting Organic Crystals Studied by Nanoindentation and Molecular Dynamics}, volume={31}, ISSN={["1520-5002"]}, DOI={10.1021/acs.chemmater.8b04800}, abstractNote={Distinct macroscopic mechanical responses of the three crystals of naphthalene diimide derivatives, 1Me, 1Et, and 1nPr, studied here are very intriguing because their molecular structures are very similar, with the difference only in the alkyl chain length. Among the three crystals examined, 1Me shows highly plastic bending nature, 1Et shows elastic flexibility, and 1nPr is brittle. A detailed investigation by nanoindentation and molecular dynamics (MD) simulations allowed us to correlate their distinct mechanical responses with the way the weak interactions pack in crystal structures. The elastic modulus (E) of 1Me is nearly an order of magnitude lower than that of 1Et, whereas hardness (H) is less than half. The low values of E and H of 1Me indicate that these crystals are highly compliant and offer a low resistance to plastic flow. As the knowledge of hardness and elastic modulus of molecular crystals alone is insufficient to capture their macroscopic mechanical deformation nature, that is, elastic, br...}, number={4}, journal={CHEMISTRY OF MATERIALS}, author={Devarapalli, Ramesh and Kadambi, Sourabh Bhagwan and Chen, Chun-Teh and Krishna, Gamidi Rama and Kammari, Bal Raju and Buehler, Markus J. and Ramamurty, Upadrasta and Reddy, C. Malla}, year={2019}, month={Feb}, pages={1391–1402} }
 @article{mishra_kadambi_ramamurty_ghosh_2018, title={Elastic flexibility tuning via interaction factor modulation in molecular crystals}, volume={54}, ISSN={["1364-548X"]}, DOI={10.1039/c8cc04132f}, abstractNote={We report the design of a series of nonhalogenated and halogenated molecular crystals with specific structural features, which are essential for pronounced elasticity.}, number={65}, journal={CHEMICAL COMMUNICATIONS}, author={Mishra, Manish Kumar and Kadambi, Sourabh B. and Ramamurty, Upadrasta and Ghosh, Soumyajit}, year={2018}, month={Aug}, pages={9047–9050} }