Materials Literature
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The DSM-861 lattice is a finite triangular simplicial 3-torus with exactly N = 861 sites and enforced 72-fold rotational symmetry generated by the cyclic group C_72. This article is the definitive technical reference for Projected Entangled Pair States (PEPS) contraction on this geometry. All major algorithm families…
Abstract Two-dimensional hybrid porous materials depicted potential in recent years for advancing gas adsorption strategies, particularly in the field of physisorbed H2 storage to meet future energy demands. Owing to their unique features, hybrid porous materials exhibit enhanced induction interactions with H2, enabli…
ABSTRACT We report the synthesis, crystal structure, and properties of a self‐assembled hexanuclear Ni 6 complex of formula [{(TMEDANi) 2 OH} 3 (HHTP) 2 ](OH) 3 , where H 6 HHTP is hexahydroxytriphenylene and TMEDA is N,N,N′,N′‐tetramethylethylenediamine. Single‐crystal x‐ray crystallography reveals a trigonal archite…
We introduce Spectral Noise Engineering (SNE), a platform-agnostic framework for extending spin coherence times T₂ at room temperature through the co-design of material encapsulation layers and dynamic decoupling sequences. The framework is built on the Guaranteed Spectral Orthogonality (GSO) metric Λ, which quantifie…
We report the epitaxial stabilization of GdAuSb films and GdAuSb/LaAuSb superlattices via molecular beam epitaxy on (0001)-oriented ${\mathrm{Al}}_{2}{\mathrm{O}}_{3}$ substrates. GdAuSb crystallizes in the Au-Au dimerized YPtAs structure type (space group $P{6}_{3}/mmc$), the same structure as the Dirac semimetal LaA…
Abstract The thermomechanical response of semicrystalline polypropylene (PP) depends not only on temperature and loading conditions, but also on its prior thermal state. While the effects of post-crystallization and annealing are well documented, the combined influence of these processes on thermal expansion, thermome…
Abstract The kinetics of the electrodeposition process of polyporphyrins based on substituted tetraphenylporphyrins (5-(4-aminophenyl)-10,15,20-triphenylporphyrin, 5,15-di(4-aminophenyl)-10,20-diphenylporphyrin, 5,10,15-tri(4-aminophenyl)-20-phenylporphyrin, and 5,10,15,20-tetrakis(4-aminophenyl)porphyrin, 5-(4-hydrox…
Abstract In materials discovery, the integration of first-principles calculations with machine learning techniques has been actively studied for two key tasks: crystal structure prediction, which searches for stable structures given a chemical composition, and elemental substitution, which explores chemical compositio…
Abstract Collagen fibrils provide a templating scaffold for calcium phosphate deposition during bone mineralization, yet the molecular mechanism underlying the penetration of calcium and phosphate ions from the bulk phase into the collagen fibrils remains poorly understood. For the first time, we quantify the thermody…
Inverse molecular design imposes multiple property constraints, requiring them to be combined into a scalar reward for reinforcement-learning (RL) fine-tuning; a step that can be highly sensitive to the reward formulation. Here, we systematically analyze how scalarization choices and stabilization mechanisms shape opt…
Foundation models are transforming artificial intelligence by enabling generalizable, data-efficient solutions across diverse domains and applications. However, the lack of large and diverse datasets remains a key barrier to their development in nanophotonics. This work presents MOCLIP (Metasurface Optics Contrastive…
Accelerating the discovery of structural materials is essential for advancing applications in hard and refractory alloys, hypersonic platforms, nuclear systems, and other extreme-environment technologies. However, progress is often constrained by slow synthesis–characterization cycles and the need for extensive mechan…
Abstract We combine for the first time the properties of ordered mesoporous thin films and complex oxide nanoparticles in the design of heterostructures, taking advantage of the accessible tridimensional pore network. In this work, we demonstrate the feasibility of synthesizing La0.88Sr0.12MnO3 inside the pores of a m…
【v7】重力セクターの相対論的完備化。基本文書をv2.3に更新し、導出ノートv4「重力セクターの相対論的完備化 — テンソルセクター・1PNラグランジアン・観測制約」を新設。(1) 第3章の式(3.1)(3.2)の符号を訂正 — 前版の組はΦ>0規約の下で斥力を与えていた。正しくは∇²Φ−;(4πG/c²)ρ、F=+mc²∇Φ。(2) 二体表式Φ_AB=Φ₀−(τ_A+τ_B)/r²の位置づけを訂正 — (3.1)は線形方程式であり二点源解は各天体からの距離の1/r型である。1/r²項はニュートン解ではなく1PN補正と再定義し、τ_A=(2β_PPN−1)G²m_A/(2c²)と確定。加法形が1PN二体問題の静的項の構造をそのまま…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
In Abelian gauge theories with dynamical matter, Wilson lines can end on the insertions of charged fields. We study the endpoints of Wilson lines in large N N bosonic QED _3 3 at its critical point. We first study the stability of an infinite Wilson line in the \mathbb{CP}^{N-1} ℂ ℙ N − 1 model by computing the approp…
A formally complete bounded representational space may contain every candidate expression permitted by a specified encoding, but explicit enumeration of such a space rapidly becomes computationally infeasible. This paper examines the computational and technological requirements for turning representational scientific…
Atomically precise phosphine-stabilized gold nanoclusters are commonly characterized by single-crystal X-ray diffraction, yet the extent to which these static structures represent finite-temperature behavior remains unclear. To explore the free-energy landscapes, equilibrium populations, and isomerization kinetics of…
In this work, an implantation-free ohmic contact technology based on selectively MOCVD-regrown Si-doped n$^+$ layers is demonstrated for enhancement-mode vertical $β$-Ga$_2$O$_3$ U-trench MOSFETs. The regrown n$^+$ contact structure eliminates the need for implantation-based ohmic contact formation while maintaining e…
Bismuth selenide (Bi2Se3) is a topological insulator with potential applications in thermoelectrics, spintronics, and optoelectronics. However, its response to radiation remains poorly understood. We investigate cumulative X-ray damage in Bi2Se3 using simultane- ous transmission X-ray microscopy (TXM) and X-ray diffra…