444 citations
- University of BathGB3 papers
- Faculty (United Kingdom)GB2 papers
- Kwansei Gakuin UniversityJP2 papers
- Phenikaa UniversityVN2 papers
- Phenikaa (Vietnam)VN2 papers
- Sanda UniversityCN2 papers
- Sustainable Energy Systems (United Kingdom)GB2 papers
- University of Silesia in KatowicePL2 papers
- Bath CollegeGB1 paper
- Curtin UniversityAU1 paper
- Georgia Institute of TechnologyUS1 paper
- Institute of PhysicsPL1 paper
6 papers
Coupling between structural relaxation and diffusion in glass-forming liquids under pressure variation
Anh D. Phan, Kajetan Koperwas, Marian Paluch +1
We theoretically investigate structural relaxation and activated diffusion of glass-forming liquids at different pressures using both the Elastically Collective Nonlinear Langevin…
Effects of Cooling Rate on Structural Relaxation in Amorphous Drugs: Elastically Collective Nonlinear Langevin Equation Theory and Machine Learning Study
Anh D. Phan, Katsunori Wakabayashi, Marian Paluch +1
Theoretical approaches are formulated to investigate the molecular mobility under various cooling rates of amorphous drugs. We describe the structural relaxation of a tagged molecu…
Thermal boundary conductance across epitaxial ZnO/GaN interfaces: Assessment of phonon gas models and atomistic Green's function approaches for predicting interfacial phonon transport
John T. Gaskins, George Kotsonis, Ashutosh Giri +13
We present experimental measurements of the thermal boundary conductance (TBC) from K across isolated heteroepitaxially grown ZnO films on GaN substrates. These data pro…
A general forcefield for accurate phonon properties of metal-organic frameworks
J. K. Bristow, J. M. Skelton, K. L. Svane +2
We report the development of a forcefield capable of reproducing accurate lattice dynamics of metal-organic frameworks. Phonon spectra, thermodynamic and mechanical properties, suc…
Ferroelectric Materials for Solar Energy Conversion: Photoferroics Revisited
Keith T. Butler, Jarvist M. Frost, Aron Walsh
The application of ferroelectric materials (i.e. solids that exhibit spontaneous electric polarisation) in solar cells has a long and controversial history. This includes the first…
Ab initio thermodynamic model of CuZnSnS
Adam J. Jackson, Aron Walsh
Thin-film solar cells based on the semiconductor CuZnSnS (CZTS) are a promising candidate for Terawatt-scale renewable energy generation. While CZTS is composed of earth ab…