A proof-theoretical analysis of ptykes

JRG Catlow - Archive for Mathematical Logic, 1994 - Springer
The notion of a “ptyx” is formalised in second-order arithmetic, and, using proof-theoretic
techniques based on sequent-calculus, bounds are obtained for the ptykes of type 1 and 2 …

Functoroids and ptykoids

JRG Catlow - Archive for Mathematical Logic, 1995 - Springer
A type of first-order analogues of ptykes, namely 'ptykoids', are introduced, and bounds are
found for the ptykoids of level 1 and 2 which can be proved to be ptykoids in Peano …

Structure prediction of crystals, surfaces and nanoparticles

SM Woodley, GM Day, R Catlow - … Transactions of the …, 2020 - royalsocietypublishing.org
We review the current techniques used in the prediction of crystal structures and their surfaces
and of the structures of nanoparticles. The main classes of search algorithm and energy …

Molecular dynamics simulation of silica glass

LB Vessal, M Leslie, CRA Catlow - Molecular Simulation, 1989 - Taylor & Francis
… CRA CATLOW … Also listed in Table I1 are the properties of a-quartz calculated using
the potential model developed by Sanders, Leslie and Catlow [20]. … 166, edited by CRA …

An origin-of-life reactor to simulate alkaline hydrothermal vents

…, C Watson, L Dartnell, J Ward, JRG Evans… - Journal of molecular …, 2014 - Springer
Chemiosmotic coupling is universal: practically all cells harness electrochemical proton
gradients across membranes to drive ATP synthesis, powering biochemistry. Autotrophic cells, …

Modeling chemical reactions in classical molecular dynamics simulations

JR Gissinger, BD Jensen, KE Wise - Polymer, 2017 - Elsevier
An algorithm capable of incorporating multi-step reaction mechanisms into atomistic
molecular dynamics simulations using traditional fixed valence force fields is proposed and …

Silicon-oxygen region infrared and Raman analysis of opals: The effect of sample preparation and measurement type

NJ Curtis, JR Gascooke, A Pring - Minerals, 2021 - mdpi.com
An extensive infrared (IR) spectroscopy study using transmission, specular and diffuse
reflectance, and attenuated total reflection (ATR) was undertaken to characterise opal-AG, opal-…

Fine spatial resolution simulated satellite sensor imagery for land cover mapping in the United Kingdom

P Aplin, PM Atkinson, PJ Curran - Remote sensing of Environment, 1999 - Elsevier
This article presents a set of techniques developed to classify land cover on a per-parcel (herein
termed per-field) basis by integrating fine spatial resolution simulated satellite sensor …

The effect of Mg location on Co-Mg-Ru/γ-Al2O3 Fischer–Tropsch catalysts

JR Gallagher, P Boldrin… - … of the Royal …, 2016 - royalsocietypublishing.org
The effectiveness of Mg as a promoter of Co-Ru/γ-Al 2 O 3 Fischer–Tropsch catalysts depends
on how and when the Mg is added. When the Mg is impregnated into the support before …

Tunable and rapid crystallisation of phase pure Bi2MoO6 (koechlinite) and Bi2Mo3O12 via continuous hydrothermal synthesis

R Gruar, CJ Tighe, LM Reilly, G Sankar, JA Darr - Solid state sciences, 2010 - Elsevier
Herein, we report the rapid single step hydrothermal synthesis of phase pure Bi 2 MoO 6 (koechlinite)
and Bi 2 Mo 3 O 12 , via a continuous hydrothermal flow synthesis (CHFS) reactor, …