Growth diagram of La0.7Sr0.3MnO3 thin films using pulsed laser deposition

An experimental study was conducted on controlling the growth mode of La0.7Sr0.3MnO3 thin films on SrTiO3 substrates using pulsed laser deposition (PLD) by tuning growth temperature, pressure and laser fluence. Different thin film morphology, crystallinity and stoichiometry have been observed depending on growth parameters. To understand the microscopic origin, the adatom nucleation, step advance processes and their relationship to film growth were theoretically analyzed and a growth diagram was constructed. Three boundaries between highly and poorly crystallized growth, 2D and 3D growth, stoichiometric and non-stoichiometric growth were identified in the growth diagram. A good fit of our experimental observation with the growth diagram was found. This case study demonstrates that a more comprehensive understanding of the growth mode in PLD is possible

Efficient Prediction of Peptide Self-assembly through Sequential and Graphical Encoding

In recent years, there has been an explosion of research on the application of deep learning to the prediction of various peptide properties, due to the significant development and market potential of peptides. Molecular dynamics has enabled the efficient collection of large peptide datasets, providing reliable training data for deep learning. However, the lack of systematic analysis of the peptide encoding, which is essential for AI-assisted peptide-related tasks, makes it an urgent problem to be solved for the improvement of prediction accuracy. To address this issue, we first collect a high-quality, colossal simulation dataset of peptide self-assembly containing over 62,000 samples generated by coarse-grained molecular dynamics (CGMD). Then, we systematically investigate the effect of peptide encoding of amino acids into sequences and molecular graphs using state-of-the-art sequential (i.e., RNN, LSTM, and Transformer) and structural deep learning models (i.e., GCN, GAT, and GraphSAGE), on the accuracy of peptide self-assembly prediction, an essential physiochemical process prior to any peptide-related applications. Extensive benchmarking studies have proven Transformer to be the most powerful sequence-encoding-based deep learning model, pushing the limit of peptide self-assembly prediction to decapeptides. In summary, this work provides a comprehensive benchmark analysis of peptide encoding with advanced deep learning models, serving as a guide for a wide range of peptide-related predictions such as isoelectric points, hydration free energy, etc

Structural and electronic origin of the magnetic structures in hexagonal LuFeO3_3

Using combined theoretical and experimental approaches, we studied the structural and electronic origin of the magnetic structure in hexagonal LuFeO$_3$. Besides showing the strong exchange coupling that is consistent with the high magnetic ordering temperature, the previously observed spin reorientation transition is explained by the theoretically calculated magnetic phase diagram. The structural origin of this spin reorientation that is responsible for the appearance of spontaneous magnetization, is identified by theory and verified by x-ray diffraction and absorption experiments.Comment: 5 pages, 2 tables and 4 figures, Please contact us for the supplementary material. Accepted in Phys. Rev. B, in productio

Room-temperature multiferroic hexagonal LuFeO3_3 films

The crystal and magnetic structures of single-crystalline hexagonal LuFeO$_3$ films have been studied using x-ray, electron and neutron diffraction methods. The polar structure of these films are found to persist up to 1050 K; and the switchability of the polar behavior is observed at room temperature, indicating ferroelectricity. An antiferromagnetic order was shown to occur below 440 K, followed by a spin reorientation resulting in a weak ferromagnetic order below 130 K. This observation of coexisting multiple ferroic orders demonstrates that hexagonal LuFeO$_3$ films are room-temperature multiferroics

A major change in precipitation gradient on the Chinese Loess Plateau at thePliocene-Quaternary boundary

Spatiotemporal variations in East Asian Monsoon (EAM) precipitation during the Quaternary have been intensively studied. However, spatial variations in pre-Quaternary EAM precipitation remain largely uninvestigated, preventing a clear understanding of monsoon dynamics during a warmer climatic period. Here we compare the spatial differences in heavy mineral assemblages between Quaternary loess and pre-Quaternary Red Clay on the Chinese Loess Plateau (CLP) to analyze spatial patterns in weathering. Prior studies have revealed that unstable hornblende is the dominant (&sim;50%) heavy mineral in Chinese loess deposited over the past 500 ka, whereas hornblende content decreases to &lt; 10% in strata older than &sim;1 Ma in the central CLP because of diagenesis. In the present study we found that hornblende is the dominant heavy mineral in 2&ndash;2.7 Ma loess on the northeastern CLP (at Jiaxian), which today receives little precipitation. Conversely, hornblende content in the upper Miocene-Pliocene Red Clay at Jiaxian is &lt; 10%, as in the central CLP. The early Quaternary abundance of hornblende at Jiaxian indicates that the current northwestward-decreasing precipitation pattern and consequent dry climate at Jiaxian must have been initiated since &sim;2.7 Ma, preventing hornblende dissolution to amounts &lt; 10% as observed in the central CLP. By contrast, the 7 Ma and 3 Ma Jiaxian Red Clay hornblende content is significantly less than that of the Xifeng samples, despite the fact that today Xifeng receives more precipitation than Jiaxian, with expected enhanced hornblende weathering. This suggests that the northeastern CLP received more precipitation during the Late Miocene-Pliocene than at Xifeng, indicating that the precipitation gradient on the CLP was more east&ndash;west during the Late Miocene-Pliocene rather than northwestsoutheast as it was in the Quaternary. A comparison of magnetic susceptibility records for these sections confirms this inference. We attribute this major change in climatic patterns at &sim;2.7 Ma to decreased northward moisture transportation associated with Northern Hemisphere glaciation and cooling in the Quaternary. This study therefore demonstrates the potential usefulness of employing heavy mineral analysis in both paleoclimatic and paleooceanographic reconstructions.<br style="line-height: normal; text-align: -webkit-auto; text-size-adjust: auto;" /

Growth diagram of La0.7Sr0.3MnO3 thin films using pulsed laser deposition

An experimental study was conducted on controlling the growth mode of La0.7Sr0.3MnO3 thin films on SrTiO3 substrates using pulsed laser deposition (PLD) by tuning growth temperature, pressure, and laser fluence. Different thin film morphology, crystallinity, and stoichiometry have been observed depending on growth parameters. To understand the microscopic origin, the adatom nucleation, step advance processes, and their relationship to film growth were theoretically analyzed and a growth diagram was constructed. Three boundaries between highly and poorly crystallized growth, 2D and 3D growth, stoichiometric and non-stoichiometric growth were identified in the growth diagram. A good fit of our experimental observation with the growth diagram was found. This case study demonstrates that a more comprehensive understanding of the growth mode in PLD is possible

Growth diagram and magnetic properties of hexagonal LuFe2O4 thin films

Agrowth diagram of Lu-Fe-O compounds on MgO (111) substrates using pulsed laser deposition is constructed based on extensive growth experiments. The LuFe2O4 phase can only be grown in a small range of temperature and O2 pressure conditions. An understanding of the growth mechanism of Lu-Fe-O compound films is offered in terms of the thermochemistry at the surface. Superparamagnetism is observed in the LuFe2O4 film and is explained in terms of the effect of the impurity hexagonal LuFeO3 (h-LuFeO3) phase and structural defects

Zr- and Hf-based nanoscale metal–organic frameworks as contrast agents for computed tomography

Nanoscale metal-organic frameworks (NMOFs) of the UiO-66 structure containing high Zr (37 wt%) and Hf (57 wt%) content were synthesized and characterized, and their potential as contrast agents for X-ray computed tomography (CT) imaging was evaluated. Hf-NMOFs of different sizes were coated with silica and poly(ethylene glycol) (PEG) to enhance biocompatibility, and were used for in vivo CT imaging of mice, showing increased attenuation in the liver and spleen

Growth Diagram and Magnetic Properties of Hexagonal LuFe2O4 Thin Films

A growth diagram of Lu-Fe-O compounds on MgO(111) substrates using pulsed laser deposition is constructed based on extensive growth experiments. The LuFe2O4 phase can only be grown in a small range of temperature and O2 pressure conditions. An understanding of the growth mechanism of Lu-Fe-O compound films is offered in terms of the thermochemistry at the surface. Superparamagnetism is observed in the LuFe2O4 film and is explained in terms of the effect of the impurity hexagonal LuFeO3 (h-LuFeO3) phase and structural defects