Nonequilibrium transport and the fluctuation theorem in the thermodynamic behaviors of nonlinear photonic systems by Yang Liu, Jincheng Lu, Zhongfei Xiong, Fan O. Wu, Demetrios Christodoulides, Yuntian Chen, Jian-Hua Jiang

“…Our findings closely align with numerical simulations based on first-principles nonlinear wave equations. In this paper, we seek to deepen the understanding of irreversible nonequilibrium processes and statistical fluctuations in nonlinear many-body photonic systems which will enhance our grasp of collective phenomena of photons and foster a fruitful intersection between optics and statistical physics.…”
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Surface-specific thermal spin-depolarization on the half-metallic Heusler films by Kazuki Sumida, Masaaki Kakoki, Yuya Sakuraba, Keisuke Masuda, Kazuki Goto, Takashi Kono, Koji Miyamoto, Yoshio Miura, Kazuhiro Hono, Taichi Okuda, Akio Kimura

“…Here, using surface-sensitive spin- and angle-resolved photoelectron spectroscopy combined with first-principles calculations, we verify the temperature- and momentum-dependent spin-polarization of Co2MnSi thin-film. …”
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Structural, Elastic, and Electronic Properties of Antiperovskite Chromium-Based Carbides ACCr3 (A = Al and Ga) by D. F. Shao, W. J. Lu, S. Lin, P. Tong, Y. P. Sun

“…We theoretically investigated antiperovskite chromium-based carbides ACCr3 through the first-principles calculation based on density functional theory (DFT). …”
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Machine learning-assisted design of Ti–V–Nb–Mo refractory high-entropy alloys with higher ductility and specific yield strength by Yan Li, Junjie Gong, Shilong Liang, Wei Wu, Yongxin Wang, Zheng Chen

“…A dataset of the alloys' performance parameters was established by applying first-principles and molecular dynamics calculations. The combination of the aforementioned dataset with the solid solution strengthening (SSH) model and the D (γs/γusf) parameter enabled the construction of a highly accurate strength-ductility prediction model for the alloys through the use of an XGBoost algorithm. …”
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Modeling and simulation of seasonal performance of silica-polymethylpentene for diurnal radiative cooling under direct sunlight by G. N. Nwaji, C. R. Oraka, H. O. Okoro, A. C. Okoronkwo, N. V. Ogueke, E. E. Anyanwu

“…A 2D mathematical model of a diurnal radiative cooler was developed from first principles based on thermal energy balance and was parameterized using the climatic data of Owerri, Nigeria, to evaluate the thermal performance of the cooler during the late Harmattan (January), early rainy (April), late rainy (September), and early Harmattan (November) seasons in the study location. …”
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Realized stable BP-N at ambient pressure by phosphorus doping by Guo Chen, Chengfeng Zhang, Yuanqin Zhu, Bingqing Cao, Jie Zhang, Xianlong Wang

“…Here, on the basis of first-principles simulations, we find that P-atom doping can effectively reduce the synthesis pressure of BP-N and maintain its stability at 0 GPa. …”
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Quantum order by disorder is a key to understanding the magnetic phases of BaCo2(AsO4)2 by Sangyun Lee, Shengzhi Zhang, S. M. Thomas, L. Pressley, C. A. Bridges, Eun Sang Choi, Vivien S. Zapf, Stephen M. Winter, Minseong Lee

“…This model, supported by combined first principles calculations and theoretical modeling, quantitatively reproduces our experimental data. …”
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Pressure Prediction of Electronic, Anisotropic Elastic, Optical, and Thermal Properties of Quaternary (M2/3Ti1/3)3AlC2 (M = Cr, Mo, and Ti) by Liang Sun, Yimin Gao, Yangzhen Liu, Guoliang Wang, Yiran Wang, Wenyan Zhai, Wen Wang

“…The electronic, mechanical, anisotropic elastic, optical, and thermal properties of quaternary (M2/3Ti1/3)3AlC2 (M = Cr, Mo, and Ti) under different pressure are systematically investigated by first-principles calculations. The bonding characteristics of these compounds are the mixture of metallic and covalent bonds. …”
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Electronic Structure and Optical Properties of GaAs Doped with Rare-Earth Elements (Sc, Y, La, Ce, and Pr) by Yongrong Deng, Chunhong Zhang, Xinmao Qin, Wanjun Yan

“…Herein, the electronic structure and optical properties of GaAs doped with rare-earth elements (Sc, Y, La, Ce, and Pr) were evaluated using the first-principles method. Results showed that the lattice constants and cell volume of GaAs increased after doping. …”
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Novel properties of vacancy-ordered perovskite-Cs2BCl6 induced by d-orbital electrons by Siyu Zhang, Lu Wang, Yujia Guo, Jie Su, Haidong Yuan, Zhenhua Lin, Lixin Guo, Yue Hao, Jingjing Chang

“…Herein, we present a first-principles study of the structural stability, optical absorption, electronic structure, and mechanical behavior of Cs2BCl6 compounds with B-site substitutions (BGe, Sn, Pb, Cr, Mo, W, Ti, Zr, and Hf). …”
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Calculation and Analysis of the Structure and Viscosity of B2O3-Regulated CaO-Al2O3-Based Mold Fluxes by Lifeng Chen, Kun Liu, Peng Han, Bin Yang, Lianghua Feng

“…The thermodynamic properties were studied based on the first principles of quantum mechanics. The results show that the formation of stable structures of B-O and O-B-O in the mold fluxes was beneficial to reduce the probability of structural interconnection, degree of polymerization, and viscosity of the molten slag. …”
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Danger Is a Signal, Not a State: Bigaagarri—An Indigenous Protocol for Dancing Around Threats to Wellbeing by Phillip Orcher, Victoria J. Palmer, Tyson Yunkaporta

“…The paper connects the first principles of this protocol to literature, then, using code-switching between academic and informal settler and Indigenous voices, it introduces personal lived experience narratives that include utilisation of the participatory and immersive protocol seen in the graphical abstract image to mitigate suicidal ideation. …”
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Predicting thermodynamic stability of inorganic compounds using ensemble machine learning based on electron configuration by Hao Zou, Haochen Zhao, Mingming Lu, Jiong Wang, Zeyu Deng, Jianxin Wang

“…Validation results from first-principles calculations indicate that our method demonstrates remarkable accuracy in correctly identifying stable compounds.…”
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TOMO AKVINIEČIO ŽMOGAUS LAISVĖS TEORIJOS TYRIMAI XX AMŽIUJE (I STRAIPSNIS) by Lina Šulcienė

“…The studies of this type put in question traditional Neothomist view maintaining that Aquinas' ethics is theory of natural law which it the basis of the free human actions, so that man's practical decision is deducible from the first principles of natural law. The second line of investigation, introduced in this article, discusses Aquinas' general theory of freedom and free human activity. …”
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Superconductivity of electron-doped chalcohydrides under high pressure by Yu Du, Zefang Wang, Hanyu Liu, Guoji Liu, Xin Zhong

“…Here, we introduce Li into binary chalcohydrides and investigate ternary Li-M-H (M = S, Se, and Te) compounds using the state-of-the-art structure prediction method in conjunction with first-principles calculations. As a result, five stable stoichiometries, including LiSH_{7}, Li_{2}SH_{6}, LiSH, Li_{2}SH, and LiS_{2}H, are identified at 100–200 GPa. …”
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Real‐Time Detection, Location, and Measurement of Geoeffective Stellar Flares From Global Navigation Satellite System Data: New Technique and Case Studies by Manuel Hernández‐Pajares, David Moreno‐Borràs

“…Abstract An alternative approach to detect solar flares and quantify the associated extreme ultraviolet (EUV) solar flux rate was introduced in this journal by the authors: Global Navigation Satellite Systems Solar FLAre Indicator (GSFLAI) was founded on the dependence of the sudden electron content increase of the Earth ionosphere versus the angle regarding the flare source, the Sun, given by a simple but accurate first‐principles‐based model. Such overionization is directly measured from the dual‐frequency phase measurements gathered from hundreds of worldwide permanent receivers of the Global Navigation Satellite Systems, GNSS (like the Global Positioning System GPS), working many of them in real time. …”
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Energetically Consistent Eddy‐Diffusivity Mass‐Flux Convective Schemes: 1. Theory and Models by M. Perrot, F. Lemarié, T. Dubos

“…Abstract This paper presents a self‐contained derivation, from first principles, of a convective vertical mixing scheme based on the Eddy‐Diffusivity Mass‐Flux (EDMF) approach. …”
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Predictability of Geomagnetically Induced Currents as a Function of Available Magnetic Field Information by Matthew A. Grawe, Jonathan J. Makela

“…Sun‐to‐mud prediction of the surface magnetic field (and/or its time derivative) is a long‐standing goal for both first‐principles and data‐driven models. Here, we quantify the upper limits of peak GIC predictability as a function of how much magnetic field information is accurately predictable. …”
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Phase stability, microstructure and thermodynamic properties of NbMoZrTiV lightweight high-entropy refractory alloy by Wenjie Chen, Xinmei Li

“…In this paper, the effects of pressure and temperature on the stability and thermodynamic properties of the NbMoZrTiV LRHEA phase have been investigated using first-principles calculations of density functional theory calculations. …”
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Design and fabrication of {111}-textured nanotwinned silver coating for enhancing surface wear resistance of depleted uranium by Kunming Yang, Xiaobo Wang, Shengfa Zhu, Yawen Zhao, Qingdong Xu, Yiyun Wei, Chao Lu, Zhiyuan Wen, Tongxiang Fan, Mingyu Gong, Anyi Yin, Wenhua Luo

“…Deposited nanotwinned (NT) silver (Ag), which is relatively “soft” in-plane and “hard” out-of-plane with respect to surface, may serve as wear-resistant coating. In this work, first-principles density functional theory (DFT) calculations were performed to reveal the energetics of possible Ag/α-U interfaces. …”
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