cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2mcgwc
title: CCDC 2424103: Experimental Crystal Structure Determination

description: Related Article: Gang Liang, De-Jian Chen, Zhu-Jun Long, Hao Zhuo, Xiao-Feng Zhong, Xiong-Hai Chen, Huai-Yu Shao, Zong-Wen Mo, Xiao-Ming Chen|2025|Chemical Science|16|19867|doi:10.1039/d5sc05093f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2mcgxd
title: CCDC 2424104: Experimental Crystal Structure Determination

description: Related Article: Gang Liang, De-Jian Chen, Zhu-Jun Long, Hao Zhuo, Xiao-Feng Zhong, Xiong-Hai Chen, Huai-Yu Shao, Zong-Wen Mo, Xiao-Ming Chen|2025|Chemical Science|16|19867|doi:10.1039/d5sc05093f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.17399071
title: URANS–FSI Case Files for Axial Flow-Induced Vibration of a Cantilever Rod for Nuclear Application

description: This repository contains the input files, setup scripts, and documentation for the URANS–FSI simulation framework developed during the author’s PhD at the University of Manchester.

This version includes two simulation cases of axial flow-induced vibration (FIV) of a blunt-ended cantilevered rod in turbulent axial flow:





A case using the Reynolds Stress Model (RSM–LRR), and




A case using the Eddy Viscosity Model (EVM–k–ω SST).



Both configurations employ an unsteady Reynolds-averaged Navier–Stokes (URANS) turbulence approach coupled with a structural solver through two-way fluid–structure interaction (FSI), implemented in foam-extend 4.0 using the solids4Foam library.

The work forms part of the following publications and supplementary materials:

1. Muhamad Pauzi, A., Iacovides, H., Cioncolini, A., Li, H., & Nabawy, M. R. A. (2024). Application of URANS Simulation and Experimental Validation of Axial Flow-Induced Vibrations on a Blunt-End Cantilever Rod for Nuclear Applications. Arabian Journal for Science and Engineering. https://doi.org/10.1007/s13369-024-09505-5

2. Muhamad Pauzi, A. (2025). Axial Flow-Induced Vibrations over a Blunt-Ended Cantilevered Rod. PhD thesis, University of Manchester. https://research.manchester.ac.uk/en/studentTheses/axial-flow-induced-vibrations-over-a-blunt-ended-cantilevered-rod

3. Muhamad Pauzi, A. (2024a). Video of axial flow-induced vibration (FIV) simulations at different axial positions using RSM LRR and EVM k–ω SST models. https://doi.org/10.48420/27925344.v1

4. Muhamad Pauzi, A. (2024b). Video of axial flow-induced vibration (FIV) simulations at varying annulus Reynolds numbers using RSM LRR and EVM k–ω SST models. https://doi.org/10.48420/27936300.v1

These datasets are intended to support reproducibility, validation, and benchmarking of FSI research in nuclear and energy applications.
DOI: 10.5281/zenodo.17475514
title: URANS–FSI Case Files for Axial Flow-Induced Vibration of a Cantilever Rod for Nuclear Application

description: This repository contains the input files, setup scripts, and documentation for the URANS–FSI simulation framework developed during the author’s PhD at the University of Manchester.

This version includes two simulation cases of axial flow-induced vibration (FIV) of a blunt-ended cantilevered rod in turbulent axial flow:





A case using the Reynolds Stress Model (RSM–LRR), and




A case using the Eddy Viscosity Model (EVM–k–ω SST).



Both configurations employ an unsteady Reynolds-averaged Navier–Stokes (URANS) turbulence approach coupled with a structural solver through two-way fluid–structure interaction (FSI), implemented in foam-extend 4.0 using the solids4Foam library.

The work forms part of the following publications and supplementary materials:

1. Muhamad Pauzi, A., Iacovides, H., Cioncolini, A., Li, H., & Nabawy, M. R. A. (2024). Application of URANS Simulation and Experimental Validation of Axial Flow-Induced Vibrations on a Blunt-End Cantilever Rod for Nuclear Applications. Arabian Journal for Science and Engineering. https://doi.org/10.1007/s13369-024-09505-5

2. Muhamad Pauzi, A. (2025). Axial Flow-Induced Vibrations over a Blunt-Ended Cantilevered Rod. PhD thesis, University of Manchester. https://research.manchester.ac.uk/en/studentTheses/axial-flow-induced-vibrations-over-a-blunt-ended-cantilevered-rod

3. Muhamad Pauzi, A. (2024a). Video of axial flow-induced vibration (FIV) simulations at different axial positions using RSM LRR and EVM k–ω SST models. https://doi.org/10.48420/27925344.v1

4. Muhamad Pauzi, A. (2024b). Video of axial flow-induced vibration (FIV) simulations at varying annulus Reynolds numbers using RSM LRR and EVM k–ω SST models. https://doi.org/10.48420/27936300.v1

These datasets are intended to support reproducibility, validation, and benchmarking of FSI research in nuclear and energy applications.
DOI: 10.5517/ccdc.csd.cc2mcgyf
title: CCDC 2424105: Experimental Crystal Structure Determination

description: Related Article: Gang Liang, De-Jian Chen, Zhu-Jun Long, Hao Zhuo, Xiao-Feng Zhong, Xiong-Hai Chen, Huai-Yu Shao, Zong-Wen Mo, Xiao-Ming Chen|2025|Chemical Science|16|19867|doi:10.1039/d5sc05093f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2mcgzg
title: CCDC 2424106: Experimental Crystal Structure Determination

description: Related Article: Gang Liang, De-Jian Chen, Zhu-Jun Long, Hao Zhuo, Xiao-Feng Zhong, Xiong-Hai Chen, Huai-Yu Shao, Zong-Wen Mo, Xiao-Ming Chen|2025|Chemical Science|16|19867|doi:10.1039/d5sc05093f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxw9r
title: CSD 2440825: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2mcgt9
title: CCDC 2424101: Experimental Crystal Structure Determination

description: Related Article: Gang Liang, De-Jian Chen, Zhu-Jun Long, Hao Zhuo, Xiao-Feng Zhong, Xiong-Hai Chen, Huai-Yu Shao, Zong-Wen Mo, Xiao-Ming Chen|2025|Chemical Science|16|19867|doi:10.1039/d5sc05093f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwbs
title: CSD 2440826: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwct
title: CSD 2440827: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwdv
title: CSD 2440828: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwfw
title: CSD 2440829: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwgx
title: CSD 2440830: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwhy
title: CSD 2440831: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwjz
title: CSD 2440832: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwk0
title: CSD 2440833: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwl1
title: CSD 2440834: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwm2
title: CSD 2440835: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwn3
title: CSD 2440836: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2mxwp4
title: CSD 2440837: Experimental Crystal Structure Determination

description: Related Article: Jacob Svane, Michael Anthony Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen|2025|Chemical Science|16|19888|doi:10.1039/d5sc04769b
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2mxrw6
title: CCDC 2440719: Experimental Crystal Structure Determination

description: Related Article: Yuming Gu, Yating Gu, Maochen Yang, Shisi Tang, Jiawei Chen, Xinyi Liang, Dong Zheng, Zekun Li, Fengqi Song, Yang Gao, Yan Zhu, Yinghuan Shi, Jing Ma|2025|Chemical Science|16|19644|doi:10.1039/d5sc04386g
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2mxrx7
title: CCDC 2440720: Experimental Crystal Structure Determination

description: Related Article: Yuming Gu, Yating Gu, Maochen Yang, Shisi Tang, Jiawei Chen, Xinyi Liang, Dong Zheng, Zekun Li, Fengqi Song, Yang Gao, Yan Zhu, Yinghuan Shi, Jing Ma|2025|Chemical Science|16|19644|doi:10.1039/d5sc04386g
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n3d8g
title: CCDC 2446125: Experimental Crystal Structure Determination

description: Related Article: Chun-Yan Guan, Tao Lu, Ya Li, Chao-Hua Liu, Xiao Xiao, Guang-Jian Mei|2025|Chemical Science|16|19683|doi:10.1039/d5sc05846e
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n5g4g
title: CCDC 2448105: Experimental Crystal Structure Determination

description: Related Article: Anna I. Elizondo, Kevin D. McCarty, Hadi D. Arman, F. Peter Guengerich, Francis K. Yoshimoto|2025|Org.Biomol.Chem.|23|9618|doi:10.1039/d5ob01218j
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n5fy7
title: CCDC 2448099: Experimental Crystal Structure Determination

description: Related Article: Anna I. Elizondo, Kevin D. McCarty, Hadi D. Arman, F. Peter Guengerich, Francis K. Yoshimoto|2025|Org.Biomol.Chem.|23|9618|doi:10.1039/d5ob01218j
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n5g3f
title: CCDC 2448104: Experimental Crystal Structure Determination

description: Related Article: Anna I. Elizondo, Kevin D. McCarty, Hadi D. Arman, F. Peter Guengerich, Francis K. Yoshimoto|2025|Org.Biomol.Chem.|23|9618|doi:10.1039/d5ob01218j
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n5fz8
title: CCDC 2448100: Experimental Crystal Structure Determination

description: Related Article: Anna I. Elizondo, Kevin D. McCarty, Hadi D. Arman, F. Peter Guengerich, Francis K. Yoshimoto|2025|Org.Biomol.Chem.|23|9618|doi:10.1039/d5ob01218j
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n5g1c
title: CCDC 2448102: Experimental Crystal Structure Determination

description: Related Article: Anna I. Elizondo, Kevin D. McCarty, Hadi D. Arman, F. Peter Guengerich, Francis K. Yoshimoto|2025|Org.Biomol.Chem.|23|9618|doi:10.1039/d5ob01218j
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n5g2d
title: CCDC 2448103: Experimental Crystal Structure Determination

description: Related Article: Anna I. Elizondo, Kevin D. McCarty, Hadi D. Arman, F. Peter Guengerich, Francis K. Yoshimoto|2025|Org.Biomol.Chem.|23|9618|doi:10.1039/d5ob01218j
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ndsjd
title: CCDC 2455154: Experimental Crystal Structure Determination

description: Related Article: Ye-Hui Qin, Xiu-Fang Ma, Xinlan Hou, Xin-Da Huang, Song-Song Bao, Yuxi Tian, Yi-Quan Zhang, Li-Min Zheng|2025|Chemical Science|16|19806|doi:10.1039/d5sc04192a
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.