Colin R. Pulham
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View article: Formation of Molybdenum Deuteride at High Pressure: A Neutron Diffraction Study
Formation of Molybdenum Deuteride at High Pressure: A Neutron Diffraction Study Open
View article: Synthesis, Characterization, and Energetic Performance of a New Copper Complex Based on 3,4,5‐Trinitro‐1H‐pyrazole
Synthesis, Characterization, and Energetic Performance of a New Copper Complex Based on 3,4,5‐Trinitro‐1H‐pyrazole Open
The urgent need for environmentally benign initiators is driving the innovation of nitrogen‐ and oxygen‐rich materials that serve as powerful oxidizing agents, minimizing particulate emissions and replacing toxic metals such as lead. Herei…
View article: Crystal Packing and Molecular Conformation of Nitrocellulose from Fiber X-ray Differaction and Molecular Dynamics Simulations
Crystal Packing and Molecular Conformation of Nitrocellulose from Fiber X-ray Differaction and Molecular Dynamics Simulations Open
We present an improved fiber diffraction pattern and interpretation for nitrocellulose, obtained using state-of-the-art facilities available at Diamond Light Source. Beamlines I24 and VMXm permitted unprecedented data collection for delica…
View article: Predicting impact sensitivities for an extended set of energetic materials <i>via</i> the vibrational up-pumping model: molecular-based structure–property relationships identified
Predicting impact sensitivities for an extended set of energetic materials <i>via</i> the vibrational up-pumping model: molecular-based structure–property relationships identified Open
Vibrational up-pumping model predicts the mechanically-induced impact sensitivities of 33 molecular energetic crystals.
View article: Evaluating the impact sensitivity of energetic materials using inelastic neutron scattering and low frequency THz-Raman spectroscopies
Evaluating the impact sensitivity of energetic materials using inelastic neutron scattering and low frequency THz-Raman spectroscopies Open
We report a spectroscopic approach for rapid, small-scale, non-destructive testing of energetic material impact sensitivity.
View article: Understanding impact sensitivity of energetic molecules by supervised machine learning
Understanding impact sensitivity of energetic molecules by supervised machine learning Open
Machine learning models have been developed to rationalise correlations between molecular structure and sensitivity to initiation by mechanical impact for a data set of 485 energetic molecules.
View article: Finding heterogeneous nucleating agents for ice using a data-driven approach
Finding heterogeneous nucleating agents for ice using a data-driven approach Open
We present a high-throughput data-driven workflow to identify potential heterogeneous nucleating agents from structural databases for phase change materials, such as ice.
View article: Towards understanding and directing the nitration of cellulose
Towards understanding and directing the nitration of cellulose Open
Nitrocellulose is industrially produced from cellulose by treatment with nitric and sulfuric acid. While sulfuric acid is known to catalyse the hydrolysis of cellulose, its effect on nitrated cellulose has not been reported before. Herein …
View article: Stabilizing Amorphous Solid Dispersions of 2,4,6-Trinitrotoluene
Stabilizing Amorphous Solid Dispersions of 2,4,6-Trinitrotoluene Open
View article: Effects of compression on the halogen bonding of iodic acid – a neutron diffraction study
Effects of compression on the halogen bonding of iodic acid – a neutron diffraction study Open
View article: Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone: 4,4′-bipyridine
Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone: 4,4′-bipyridine Open
A highly piezochromic co-crystal of the energetic molecule NTO with bipyridine. Colour change attributed to direct compresion of the crystal lattice. No phase transition observed between 0–8 GPa. Impact sensitivity reduced compared to NTO.
View article: Is the impact sensitivity of RDX polymorph dependent?
Is the impact sensitivity of RDX polymorph dependent? Open
Impact-sensitivity predictions based on the vibrational up-pumping model show a strong polymorph dependency for RDX and highlight that one of the high-pressure forms, which forms during shock-wave experiments, is appreciably more susceptib…
View article: Correction: Large scale recyclable monolithic methyltrimethoxysilane aerogels formed by self-reinforcement
Correction: Large scale recyclable monolithic methyltrimethoxysilane aerogels formed by self-reinforcement Open
Correction for ‘Large scale recyclable monolithic methyltrimethoxysilane aerogels formed by self-reinforcement’ by Gylen Odling et al. , Mater. Adv. , 2023, DOI: https://doi.org/10.1039/d3ma00085k.
View article: Accounting for super-, plateau- and mesa-rate burning by lead and copper-based ballistic modifiers in double-base propellants: a computational study
Accounting for super-, plateau- and mesa-rate burning by lead and copper-based ballistic modifiers in double-base propellants: a computational study Open
Controlled carbon-activation of lead oxide by copper oxide accounts for burn rate modification in double base propellants.
View article: High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole
High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole Open
Herein we report the first high-pressure study of the energetic material 3,4,5-trinitro-1 H -pyrazole (3,4,5-TNP) using neutron powder diffraction and single-crystal X-ray diffraction.
View article: Structure and properties of nitrocellulose: approaching 200 years of research
Structure and properties of nitrocellulose: approaching 200 years of research Open
This review brings together almost 200 years of research on the structure of nitrocellulose to give an overview covering its production from cellulose through to application in composite materials such as propellants or biomedical tests.
View article: Large scale recyclable monolithic methyltrimethoxysilane aerogels formed by self-reinforcement
Large scale recyclable monolithic methyltrimethoxysilane aerogels formed by self-reinforcement Open
Re-introduction or recycling of methyltrimethoxysilane (MTMS) aerogel back into the production process of MTMS aerogels allows the avoidance of cracking during preparation, and thereby enables large scale monoliths to be prepared.
View article: CCDC 2154579: Experimental Crystal Structure Determination
CCDC 2154579: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154574: Experimental Crystal Structure Determination
CCDC 2154574: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154573: Experimental Crystal Structure Determination
CCDC 2154573: Experimental Crystal Structure Determination Open
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 …
View article: High-Pressure Structural Behavior of <i>para</i>-Xylene
High-Pressure Structural Behavior of <i>para</i>-Xylene Open
A high-pressure neutron powder diffraction study was conducted on perdeuterated para-xylene (C8D10). para-Xylene crystallizes in the monoclinic crystal system (space group P21/n) at ambient temperature and ca. 0.1 GPa. The structure is con…
View article: CCDC 2151091: Experimental Crystal Structure Determination
CCDC 2151091: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154575: Experimental Crystal Structure Determination
CCDC 2154575: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154577: Experimental Crystal Structure Determination
CCDC 2154577: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154572: Experimental Crystal Structure Determination
CCDC 2154572: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154576: Experimental Crystal Structure Determination
CCDC 2154576: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154580: Experimental Crystal Structure Determination
CCDC 2154580: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2154578: Experimental Crystal Structure Determination
CCDC 2154578: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2013616: Experimental Crystal Structure Determination
CCDC 2013616: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2013615: Experimental Crystal Structure Determination
CCDC 2013615: Experimental Crystal Structure Determination Open
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 …