摘要：Five polymer bonded explosives(PBXs)with the base explosive epsilon-CL-20(hexanitrohexaazaisowurtzi-tane),the most important high energy density compound(HEDC),and five polymer binders(Estane 5703,GAP,HTPB,PEG,and F_(2314))were *** dynamics(MD)method was employed to investigate their binding energies(E_(bind))< compatibility,safety,mechanical properties,and energetic *** information and rules were reported for choosing better binders and guiding formulation design of high energy density material(HEDM).According to the calculated binding energies,the ordering of compatibility and stability of the five PBXs was predicted as epsilon-CL-20/PEG < epsilon-CL-20/ Estane5703 ≈ epsilon-CL-20/GAP < epsilon-CL-20/HTPB < epsilon-CL-20/F_(2314).By pair correlation function g(r)analyses,hydrogen bonds and vdw are found to be the main interactions between the two *** elasticity and isotropy of PBXs based epsilon-CL-20 can be obviously improved more than pure epsilon-CL-20 *** is not by changing the molecular structures of epsilon-CL-20 for each binder to affect the *** safety and energetic properties of these PBXs are mainly influenced by the thermal capability(C_p^(deg))and density(p)of binders,respectively.

摘要：As future soft robotic devices necessitate a level of complexity surpassing current standards,a new design approach is needed that integrates multiple systems necessary to synchronize the motions of soft actuators and the response of signals,thereby enhancing the intelligence of flexible ***,we propose a liquid crystal elastomer unit cell-based platform that organizes the cells in a group to create expandable *** unit cell behaves like a flexible module that can expand biaxially into a specific,stable,and controllable *** the unit cells in different manners results in an adaptable soft grasper,a half-adder for information processing,and a tunable phononic *** implies a high level of reconfigurability and scalability in both structures and functions by elegantly reassembling the unit *** design strategy has the potential to integrate multiple functions that traditional soft actuators cannot accommodate,providing a platform for developing intelligent soft robotics.

摘要：Advanced programmable metamaterials with heterogeneous microstructures have become increasingly prevalent in scientific and engineering disciplines attributed to their tunable ***,exploring the structure-property relationship in these materials,including forward prediction and inverse design,presents substantial *** inhomogeneous microstructures significantly complicate traditional analytical or simulation-based ***,we establish a novel framework that integrates the machine learning(ML)-encoded multiscale computational method for forward prediction and Bayesian optimization for inverse *** prior end-to-end ML methods limited to specific problems,our framework is both load-independent and *** means that a single training session for a constitutive model suffices to tackle various problems directly,eliminating the need for repeated data collection or *** demonstrate the efficacy and efficiency of this framework using metamaterials with designable elliptical holes or lattice honeycombs *** accelerated forward prediction,we can precisely customize the stiffness and shape of metamaterials under diverse loading scenarios,and extend this capability to multi-objective customization ***,we achieve topology optimization for stress alleviation at the crack tip,resulting in a significant reduction of Mises stress by up to 41.2%and yielding a theoretical interpretable *** framework offers a general,efficient and precise tool for analyzing the structure-property relationships of novel metamaterials.

摘要：The development of low-cost,highly active platinum(Pt)-based electrocatalysts for oxygen reduction reaction(ORR)is crucial for widespread applications of fuel *** effective approach lies in alloying Pt with non-noble transition metals to modulate the physicochemical state of the Pt ***,fundamental challenges remain in understanding the structure-performance relationship due to the complexity of composition,crystal type,and surface structure during the alloying *** this study,we synthesized a series of PtCo bimetallic solid solutions with varying ratios using a liquid-phase synthesis *** exploiting the characteristics of solid solutions,the resulting PtCo bimetallic alloy maintains the face-centered cubic crystal structure of pure platinum,minimizing the complexities introduced during alloying and facilitating mechanism ***,under controlled alloy composition and crystal structure,we investigated the dependence of the electrocatalytic activity for the oxygen reduction reaction on the surface strain of the platinum *** S-PtCo-SNPs cathode designed accordingly endows both proton exchange membrane fuel cell(PEMFC)(2.08 W cm^(−2) at 4 A cm^(−2))and Zn-air battery(ZAB)(143.1 mW cm^(−2) at 214.5 mA cm^(−2))with outstanding performance.

摘要：Machine learning (ML) has been widely used todesign and develop new materials owing to its low computational cost and powerful predictive capabilities. In recentyears, the shortcomings of ML in materials science have gradually emerged, with a primary concern being the scarcity ofdata. It is challenging to build reliable and accurate ML modelsusing limited data. Moreover, the small sample size problemwill remain long-standing in materials science because of theslow accumulation of material data. Therefore, it is importantto review and categorize strategies for small-sample learningfor the development of ML in materials science. This reviewsystematically sorts the research progress of small-samplelearning strategies in materials science, including ensemblelearning, unsupervised learning, active learning, and transferlearning. The directions for future research are proposed, including few-shot learning, and virtual sample *** importantly, we emphasize the significance of embedding material domain knowledge into ML and elaborate on thebasic idea for implementing this strategy.

摘要：Conjugated polymers exhibit exceptional adaptability in flexible thin-film transistors,owing to their inherent flexibility and high charge ***,achieving conjugated polymers that demonstrate both high mobility and stability under mechanical stress,such as bending or stretching,remains a significant *** this study,we synthesized an ethylene-bridged conjugated polymer,PDPPVIDT,derived from methyl-side diketopyrrolopyrrole(DPP)and indacenodithiophene(IDT)aldehydes,using an environmentally friendly Knoevenagel condensation reaction under mild conditions,resulting in a moderate yield with promising *** characterization techniques revealed enhanced backbone planarity with stableπ-πstacking,while thin films of PDPPVIDT displayed a nearamorphous nature due to the conformational isomerism of the ethylene *** structure enables simultaneous charge transport and ***,flexible organic thinfilm transistor(OTFT)devices based on PDPPVIDT demonstrated excellent hole mobility(μh)reaching up to 1.70 cm^(2) V^(−1) s^(−1),along with high mechanical bending *** work underscores the potential of vinyl-bridged donor-acceptor conjugated polymers,highlighting the industrial adaptability of their production process and offering new insights for the design and synthesis of future flexible electronic materials.

摘要：The A–D–A′–D–A-type non-fused ring electron acceptors(NFREAs),consisting of electron-donating unit(D)as the bridge to link electron-accepting units(A and A′),have emerged as promising electron acceptors for organic solar cells(OSCs)and organic photodetectors(OPDs).As the units are linked by the carbon–carbon single bonds,these electron acceptors generally possess feasible synthesis and tunable optoelectronic ***,the recent progress of A–D–A′–D–A-type NFREAs is reviewed,including molecular design,device performance,structure–property relationships,and their applications in OSCs and ***,we discuss the challenges and propose the perspectives for the further development of A–D–A′–D–A-type NFREAs.

摘要：Water loss rate is crucial in evaluating the efficiency of atmospheric water harvesting(AWH)***,most moisture-absorbing salts and gels have fixed heat transfer rates,limiting the development of high-performance AWH ***,an anisotropic PEG/CS/MF nanocomposite(APCM)with adjustable thermal transfer efficiency is *** was synthesized using polyethylene glycol(PEG),melamine foam(MF),and chitosan(CS)solution through a freeze orientation *** resulting material exhibits a stable oriented laminated structure formed by hydrogen bonding between PEG,CS,and *** unique structure imparts excellent mechanical ***’s large lamellar gaps and pore diameters enable rapid absorption of atmospheric water molecules at low temperatures without leakage(61.79 kg m^(−3)).The compressible nature of APCM allows for efficient heat transfer at high temperatures,and the release of 80%of absorbed water within 15 *** a proof-of-concept demonstration using a custom-built AWH device,each cubic meter of APCM achieved three AWH cycles within 24 h,producing over 185 kg of ***,this innovative design offers a promising solution for enhancing the efficiency of AWH,potentially addressing water scarcity issues in various regions.

摘要：Molybdenum-based catalysts have demonstrated significant potential in the electrocatalytic hydrogen evolution reaction(HER).However,the limited exposure of active sites and strong hydrogen adsorption result in suboptimal ***,a Mo_(2)N±MoSe_(2) heterojunction is prepared on carbon cloth(MNS/CC)to enhance the *** strong electronic interaction between Mo_(2)N and MoSe_(2),combined with the lower work function of Mo_(2)N,creates an intrinsic electric field at the heterojunction interface,which markedly improves charge transfer ***,the optimized electronic structure of Mo sites further enhances charge transfer and intrinsically catalytic activity in *** a result,MNS/CC requires overpotentials of mere 65 and 210 mV to achieve current densities of 20 mA cm^(−2) and 1 A cm^(−2),respectively,with a Tafel slope of only 96 mV dec−***,MNS/CC maintains stable operation at 1 A cm^(−2) for 240 h without significant *** results offer insights into the design of non-precious metal-based electrocatalysts for industrial hydrogen production.

摘要：In this paper, we present the design of multilayer microwave absorbers comprised of Co Fe alloy nano-particles and nano-flakes as fillers. The thickness of the unite layer is optimized by using the Genetic Algorithm. Efficient microwave absorptions over a wide frequency band and a range of incident angles are achieved by using multilayer absorbers. We show that the absorbers are effective not only for a planar surface but also for arbitrarily shaped objects as well.