The non-exponential character of the structural relaxation is considered one of the hallmarks of the glassy dynamics, and in this context, the relatively narrow shape observed by dielectric techniques for polar glass formers has attracted the attention of the community for long time. This work addresses the phenomenology and role of specific non-covalent interactions in the structural relaxation of glass-forming liquids by the study of polar tributyl phosphate. We show that dipole interactions can couple to shear stress and modify the flow behavior, preventing the occurrence of the simple liquid behavior. We discuss our findings in the general framework of glassy dynamics and the role of intermolecular interactions.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/5.0145433 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Hypertrophic cardiomyopathy: insights into pathophysiology and novel therapeutic strategies from clinical studies.
Egypt Heart J
January 2025
Department of Physiology, Faculty of Basic Medical Sciences, Obafemi Awolowo College of Health Sciences, Olabisi Onabanjo University, Sagamu Campus, Sagamu, Ogun State, Nigeria.
Background: Hypertrophic cardiomyopathy (HCM) is a frequently encountered cardiac condition worldwide, often inherited, and characterized by intricate phenotypic and genetic manifestations. The natural progression of HCM is diverse, largely due to mutations in the contractile and relaxation proteins of the heart. These mutations disrupt the normal structure and functioning of the heart muscle, particularly affecting genes that encode proteins involved in the contraction and relaxation of cardiac muscle.
View Article and Find Full Text PDFTuning anomalous Hall conductivity antiferromagnetic configurations in GdPtBi.
Phys Chem Chem Phys
January 2025
Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha No 10, Bandung 40132, Jawa Barat, Indonesia.
The magnetic, electronic, and topological properties of GdPtBi were systematically investigated using first-principles density functional theory (DFT) calculations. Various magnetic configurations were examined, including ferromagnetic (FM) and antiferromagnetic (AFM) states, with particular focus on AFM states where the Gd magnetic moments align either parallel (AFM) or perpendicular (AFM) to the [111] crystal direction. For AFM, the in-plane angles were varied at = 0°, 15°, and 30° (denoted as AFM, AFM, and AFM, respectively).
View Article and Find Full Text PDFSuppression of Photoexcited Small Polarons-Mediated Energy Transfer to Boost Photoluminescence of Lanthanide-Titanium Nanoclusters.
Nano Lett
January 2025
State Key Laboratory of Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, 2699 Qianjin Street, Changchun 130012, P. R. China.
Lanthanide (Ln)-titanium-based molecular nanoclusters (NCs) have attracted much attention due to their atomically precise total structure and promising optical behavior, while there is still minimal cognition of structure-dictated electron relaxation dynamics in such an NCs regime with unsatisfied photoluminescence quantum yield (PLQY, in general below 20%). Herein, the photoexcited small polarons (i.e.
View Article and Find Full Text PDFMolecular Dynamics Simulation Study on Heterogeneous Structure, Rheology, and Dynamic Correlation of Concentrated Aqueous Solutions of a Lithium Salt.
J Phys Chem B
January 2025
Graduate School of Engineering, Nagoya University, Chikusa, Nagoya 464-8603, Japan.
Molecular dynamics simulation of an aqueous solution of lithium bis(trifluoromethanesulfonyl)amide, LiTFSA, was performed at various concentrations to relate its liquid structure with frequency-dependent shear viscosity. The structure factor exhibited a low- peak that represents a heterogeneous structure composed of water and anion domains, and the lithium ion existed in the water domain due to its strong hydration. The frequency-dependent shear viscosity showed bimodal relaxation, and the relative contribution of the slower mode increased with an increase in the salt concentration.
View Article and Find Full Text PDFDetermining Minimum Energy Conical Intersections by Enveloping the Seam: Exploring Ground and Excited State Intersections in Coupled Cluster Theory.
J Phys Chem Lett
January 2025
Department of Chemistry, Norwegian University of Science and Technology, NTNU, 7491 Trondheim, Norway.
Minimum energy conical intersections can be used to rationalize photochemical processes. In this Letter, we examine an algorithm to locate these structures that does not require the evaluation of nonadiabatic coupling vectors, showing that it minimizes the energy on hypersurfaces that envelop the intersection seam. By constraining the states to be separated by a small non-zero energy difference, the algorithm ensures that numerical artifacts and convergence problems of coupled cluster theory at conical intersections are not encountered during the optimization.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!