Magnetic Frustration and Iron-Vacancy Ordering in Iron-Chalcogenide

We show that the magnetic and vacancy orders in the 122 $(A_{1-y}Fe_{2-x}Se_2)$ iron-chalcogenides can be naturally derived from the $J_1-J_2-J_3$ model with $J_1$ being the ferromagnetic (FM) nearest neighbor exchange coupling and $J_{2}, J_3$ being the antiferromagnetic (AFM) next and third nearest neighbor ones respectively, previously proposed to describe the magnetism in the 11(FeTe/Se) systems. In the 11 systems, the magnetic exchange couplings are extremely frustrated in the ordered bi-collinear antiferromagnetic state so that the magnetic transition temperature is low. In the 122 systems, the formation of iron vacancy order reduces the magnetic frustration and significantly increases the magnetic transition temperature and the ordered magnetic moment. The pattern of the 245 iron-vacancy order ($\sqrt{5}\times \sqrt{5}$) observed in experiments is correlated to the maximum reduction of magnetic frustration. The nature of the iron-vacancy ordering may hence be electronically driven. We explore other possible vacancy patterns and magnetic orders associated with them. We also calculate the spin wave excitations and their novel features to test our model.Comment: Figures are modified and more discussion is adde

A^2-Net: Molecular Structure Estimation from Cryo-EM Density Volumes

Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural biologists to perform 6D translation-rotation searching, which is extremely compute-intensive. In this paper, we propose a learning-based method and formulate this problem as a vision-inspired 3D detection and pose estimation task. We develop a deep learning framework for amino acid determination in a 3D Cryo-EM density volume. We also design a sequence-guided Monte Carlo Tree Search (MCTS) to thread over the candidate amino acids to form the molecular structure. This framework achieves 91% coverage on our newly proposed dataset and takes only a few minutes for a typical structure with a thousand amino acids. Our method is hundreds of times faster and several times more accurate than existing automated solutions without any human intervention.Comment: 8 pages, 5 figures, 4 table

Experimental Study of Fouling Performance of Air Conditioning System with Microchannel Heat Exchanger

Microchannel heat exchanger (MCHX) has many advantages compared with traditional heat exchanger. The research and application of it also develop fast in recent years. However, in the domestic air conditioning field, it has not been widely used yet. One of the obstacles is the dust fouling of the outside condenser. The affect of dust fouling problem on air conditioning systems with louver fin and wavy fin was researched in this article. The results show the fouling problem of the MCHX can cause drastically performance degradation of the system, the cooling capacity decreased by 23% and 17.2%, the energy consumption increased by 52.5% and 28.4%, and COP decreased by 49.5% and 35.6% for air condition systems with louver fin and wavy fin MCHX respectively after they run for 3 months in the factory environment. Based on this situation, a fan blowback control strategy was introduced into the air conditioning system. After adding the control strategy, the cooling capacity only decreased by 5.5% and 2%, the energy consumption increased by 7.8% and 2.3%, and COP decreased by 12.3% and 4.3% for the systems with louver fin and wavy fin MCHX respectively 3 months later