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DOE OSTI · 3363032

Why Seeding Works When Nucleation Barriers Vanish

Abstract

This paper explains why seeds can speed up crystallization even when the formation of new crystal nuclei is not the slow step. In zeolite synthesis, local crystalline order can form relatively early, but the material may still appear poorly crystalline by X-ray diffraction because many small crystallites are misoriented and lack long-range coherence. Using coarse-grained molecular simulations, the study showed that seeds help solve this coherence problem. Rather than primarily lowering a nucleation barrier, seeds impose a common orientation on nearby growing crystallites, allowing them to merge into larger, better aligned domains. This accelerates the development of X-ray-detectable crystallinity even if the total amount of locally ordered material has not changed much. The work changes how induction times in zeolite synthesis should be interpreted: the delay before X-ray crystallinity appears can reflect the time needed to build long-range structural coherence, not simply the time needed to form crystalline material. This provides a new explanation for why seeding is effective in growth-limited crystallization and offers design principles for controlling crystallization rate and crystal quality.

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BibTeXRIS

Martinez, Eli [University of Utah, Salt Lake City, UT (United States)] (ORCID:0009000326042647), Chu-Jon, Carlos [University of Utah, Salt Lake City, UT (United States)], Turizo-Pinilla, Edgar E. [University of Houston, TX (United States)], Sundararaman, Siddharth [University of Illinois, Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)], Sankaranarayanan, Subramanian K. R. S. [University of Illinois, Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)], Rimer, Jeffrey D. [University of Houston, TX (United States)] (ORCID:0000000222963428), Molinero, Valeria [University of Utah, Salt Lake City, UT (United States)] (ORCID:0000000285774675). 2026-04-12. Why Seeding Works When Nucleation Barriers Vanish. https://doi.org/10.26434/chemrxiv.10002063%2Fv2

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36 MATERIALS SCIENCE↗