Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Crystal Growth: Principles of Crystallization

Crystal Growth: Principles of Crystallization

Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...

Recrystallization: Solid–Solution Equilibria

Recrystallization: Solid–Solution Equilibria

Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

A unified descriptor framework for hydrogen storage capacity and equilibrium pressure in interstitial hydrides.

Chemical science·2026

Same author

Synchrotron x-ray diffraction study of liquid and glassy toluene.

The Journal of chemical physics·2026

Same author

Superconductivity of elements.

Journal of physics. Condensed matter : an Institute of Physics journal·2026

Same author

Molecular Dynamics Study of Polymer Coiling in a Water-Organic Binary Solvent System.

ACS omega·2026

Same author

Physically interpretable descriptors drive the materials design of metal hydrides for hydrogen storage.

Chemical science·2025

Same author

douka: A universal platform of data assimilation for materials modeling.

The Journal of chemical physics·2025

Search research articles

Related Experiment Video

Updated: Jun 5, 2025

$On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature$

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature

Published on: March 11, 2022

Data-assimilated crystal growth simulation for multiple crystalline phases.

Yuuki Kubo¹, Ryuhei Sato², Yuansheng Zhao³

¹Department of Physics, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan.

The Journal of Chemical Physics

|December 5, 2024

Summary

This summary is machine-generated.

A new data-assimilated crystal growth (DACG) simulation method determines crystal structures from powder X-ray diffraction (PXRD) data. This method successfully identified multiple crystal structures in carbon and SiO2 systems without needing prior lattice parameter information.

More Related Videos

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Published on: March 8, 2024

Optimizing the Growth of Endothiapepsin Crystals for Serial Crystallography Experiments

Optimizing the Growth of Endothiapepsin Crystals for Serial Crystallography Experiments

Published on: February 4, 2021

Related Experiment Videos

Last Updated: Jun 5, 2025

$On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature$

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature

Published on: March 11, 2022

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Published on: March 8, 2024

Optimizing the Growth of Endothiapepsin Crystals for Serial Crystallography Experiments

Optimizing the Growth of Endothiapepsin Crystals for Serial Crystallography Experiments

Published on: February 4, 2021

Area of Science:

Crystallography
Materials Science
Computational Chemistry

Background:

Determining crystal structures from powder X-ray diffraction (PXRD) data with multiple unknown phases is challenging.
Existing methods often require prior knowledge of lattice parameters or phase identification.

Purpose of the Study:

To develop a novel simulation method for crystal structure determination from multi-phase PXRD data.
To enable crystal structure analysis without prior knowledge of lattice parameters.

Main Methods:

A data-assimilated crystal growth (DACG) simulation method was developed.
The method utilizes a PXRD penalty function within simulated annealing to stabilize and grow crystal structures matching experimental data.
The PXRD pattern is derived from the Fourier transform of the pair distribution function, avoiding the need for pre-determined lattice parameters.

Main Results:

The DACG simulation successfully reproduced multiple crystal structures for carbon (graphite, diamond) and SiO2 (low-quartz, low-cristobalite, coesite) systems.
The method demonstrated its capability to handle complex multi-phase PXRD data.

Conclusions:

The developed DACG simulation method is effective for ab initio crystal structure determination from multi-phase PXRD data.
This approach offers a powerful tool for analyzing complex crystalline materials without prior structural information.