The static and dynamic properties of several bulk liquid 3d transition metals at thermodynamic conditions near their respective melting points have been evaluated by using ab initio molecular dynamics simulations. The calculated static structure factors show an asymmetric second peak followed by a more or less marked shoulder which points to a sizeable amount of icosahedral local order. Special attention is devoted to the analysis of the longitudinal and transverse current spectral functions and the corresponding dispersion of collective excitations. For some metals, we have found the existence of two branches of transverse collective excitations in the second pseudo-Brillouin zone. Finally, results are also reported for several transport coefficients.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1088/1361-648X/ab6f16 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Are the Imidazole Ionic Liquids Suitable Lubricants for Slippery Coatings?
Langmuir
January 2025
A. N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 119071 Moscow, Russia.
The results of an investigation of an impact of the structure of recently synthesized bis(trifluoromethylsulfonyl)imide mono- and dicationic ionic liquids on their properties and behavior as lubricants for slippery liquid infused superhydrophobic coatings are presented for a wide temperature range. In this study, a new approach based on monitoring the surface tension of a liquid sessile droplet on top of a coating was exploited for the analysis of the evolution of the coating properties in prolonged contact with the liquid. It was found that the continuous contact with water flow results in slippery property degradation according to two different scenarios.
View Article and Find Full Text PDFHighly Efficient and Stable CsPbI Perovskite Quantum Dots Light-Emitting Diodes Through Synergistic Effect of Halide-Rich Modulation and Lattice Repair.
Small
January 2025
College of Physics and Optoelectronic Engineering, Harbin Engineering University, Harbin, 150001, P. R. China.
Currently, CsPbI quantum dots (QDs) based light-emitting diodes (LEDs) are not well suited for achieving high efficiency and operational stability due to the binary-precursor method and purification process, which often results in the nonstoichiometric ratio of Cs/Pb/I. This imbalance leads to amounts of iodine vacancies, inducing severe non-radiative recombination processes and phase transitions of QDs. Herein, red-emitting CsPbI QDs are reported with excellent optoelectronic properties and stability based on the synergistic effects of halide-rich modulation passivation and lattice repair.
View Article and Find Full Text PDFUPLC-MS/MS Method for Givinostat in Rat Plasma: Development, Validation, in vivo Pharmacokinetics Study and in vitro Metabolic Stability Research.
Drug Des Devel Ther
January 2025
The First Affiliated Hospital of Wenzhou Medical University, Zhejiang, People's Republic of China.
Background: Givinostat, a potent histone deacetylase (HDAC) inhibitor, is promising for the treatment of relapsed leukemia and myeloma.
Purpose: This study aimed to develop and verify a quick assay for the measurement of givinostat concentration using ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) with eliglustat as the internal standard (IS), establishing a basic pharmacokinetic profile for its pre-clinical application and metabolic stability in vitro.
Methods: Sample preparation was performed via protein precipitation using acetonitrile.
From Sea Cucumbers to Soft Robots: A Photothermal-Responsive Hydrogel Actuator with Shape Memory.
ACS Appl Mater Interfaces
January 2025
College of Food Science and Technology, Shanghai Ocean University, Shanghai 201306, China.
Soft robotics has undergone considerable progress driven by materials that can effectively transduce external stimuli into mechanical actuation. Here, we report the development of a photothermal-responsive hydrogel actuator with shape memory capabilities inspired by the adaptive locomotion of sea cucumbers. This actuator is based on sea cucumber peptides (SCP) and a liquid metal (LM) hydrogel network that is responsive to near-infrared (NIR) light.
View Article and Find Full Text PDFLiquid Crystalline Networks Hamper the Malignancy of Cancer Cells.
Adv Healthc Mater
January 2025
Department of Clinical and Experimental Biomedical Sciences, University of Florence, Viale G.B. Morgagni, 50, Florence, 50134, Italy.
Mimicking compositions and structures of extracellular matrix is widely studied to create in vitro tumor models, to deepen the understanding of the pathogenesis of the different types of cancer, and to identify new therapies. On the other hand, the use of synthetic materials to modulate cancer cell biology and, possibly, to reduce the malignancy of cancer cells through their exploitation is far less explored. Here, the study evaluates the effects of Liquid Crystalline Networks (LCNs) based scaffolds on the growth of A375 metastatic melanoma cells.
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!