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This work explores the concept of structurally tailored and engineered macromolecular (STEM) networks by proposing a novel metal-free approach to prepare the networks.
Taking the return-airway 4204 with roof cutting in Longquan Coal Mine as the engineering background, roof structure, key parameters, and deviatoric stress evolution were studied. Conclusion: The Key Stratum within a 4–8 times mining height is considered as Near Key Stratum. Cutting the roof makes it possible to form a cantilever structure of the Key Stratum on the solid coal side, which is more conducive to the stability of gob-side roadway. During cutting angle of 90–55°, the deviatoric stress increases linearly, and the increase rate is coal pillar > solid coal > roof > floor. While cutting length from 0 to 35 m, the deviatoric stress decreases linearly, and the decreasing range: coal pillar > solid coal > roof > floor. When coal pillar width is from 30 to 4 m, the deviatoric stress of left side and floor presents a “single peak” distribution. The deviatoric stress of coal pillar changes from an asymmetric “double peak” to a bell-shaped distribution, and the deviatoric stress of roof changes from a “single peak” to an asymmetric “double peak” distribution. Under same coal pillar width, the deviatoric stress of left, coal pillar and roof after roof cutting decreases most obviously, followed by the floor. Finally, the coal pillar width is 8 m, the cutting angle is 75°, the cutting length is 20 m, and the hole spacing is 1.0 m. The support scheme is bolt + metal mesh + steel belt + anchor cable combined support. The stable period of roadway is about 10 days.
Two-dimensional materials with engineered composition and structure will provide designer materials beyond conventional semiconductors. Yet, the potentials of defect engineering remain largely untapped, because it hinges on a precise understanding of electronic structure and excitonic properties, which are not yet predictable by theory alone. In this report, we use correlative, nanoscale photoemission spectroscopy to visualize how local introduction of defects modifies electronic and excitonic properties of two-dimensional materials at the nanoscale. As a model system, we study chemical vapor deposition grown monolayer WS 2 , a prototypical, direct gap, two-dimensional semiconductor. By cross-correlating nanoscale angle-resolved photoemission spectroscopy, core level spectroscopy, and photoluminescence, we unravel how local variations in defect density influence electronic structure, lateral band alignment, and excitonic phenomena in synthetic WS 2 monolayers.
Rotating detonation engines (RDE) are increasingly favored as a viable approach to gener- ating pressure gain combustion for both propulsion and power generation purposes. Practical designs involve discrete injection of fuel and air, which then partially mix to produce the reac- tive mixture that is processed by a continuously moving detonation wave within the detonation chamber. In this study, the wave structure of the detonation wave within a linearized RDE with fully premixed stoichiometric fuel and air injection is analyzed. The direct numerical simula- tion of the linearized model detonation engine (LMDE) is compared to experimental results, and wave behavior is correlated to the wave structure and flow turbulence. The flow properties and chemical composition of the gases across the detonation wave is studied to examine the reaction zone characteristics. This analysis is extended to equivalence ratios of φ = 0.8 and 1.2.
Nondestructive testing and evaluation (NDT&E) are interdisciplinary fields that require a significant amount of interconnection between fundamental physics, measurement techniques, data processing, decision making, and reporting to have a significant impact on industry. NDT&E practitioners are challenged to keep up with the fast-paced evolution of materials, structures, processing, and manufacturing technologies. The development of engineered materials, complex structures and composites, and novel forming techniques require NDT&E to rapidly evolve to meet the needs of industry.
The 11th American Conference on Neutron Scattering (ACNS 2022) will be held on June 5-9, 2022, in Boulder, CO. The Conference will provide essential information on the breadth and depth of current neutron-related research worldwide. Hosted by the Neutron Scattering Society of America, this year’s Conference will feature a combination of invited and contributed talks, poster sessions, and tutorials. Topics of the conference are: Advances in Neutron Facilities, Instrumentation and Software: Developments in sources, instrumentation, sample environments and control software. Hard Condensed Matter: Magnetism, correlated metals, quantum/topological materials, superconductors, ferroelectrics, multiferroics, glasses, and disorder phenomena. Submissions outlining examples of neutron scattering in industrial and engineering applications involving hard condensed matter systems are also encouraged. Soft Matter: Neutron studies of soft materials and related fields including in situ and in operando studies. Polymers, surfactants, emulsions, gels, nanoparticles, colloidal suspensions and more. Submissions of computational studies or applications of machine learning beneficial to neutron scattering experiments, as well as examples of neutron scattering in industrial and engineering applications are strongly encouraged. Biology, Biophysics and Biotechnology: Neutron studies of biological and biologically relevant systems. Proteins, bio membranes, biological assemblies, natural materials, nucleic acids, drug-delivery platforms and biomedical systems. Submissions of computational studies or applications of machine learning beneficial to biological neutron scattering experiments, as well as examples of neutron scattering in applied research involving biological systems, are strongly encouraged. Materials Chemistry and Energy: Neutron-based studies of functional materials and materials for energy applications. Examples include porous materials such as metal organic frameworks (MOFs), zeolites; phosphors; novel pigments; electrolytes; catalysts; ionic conductors/cathode materials; photovoltaic materials (hybrid perovskites); thermoelectrics; magnetocalorics/electrocalorics. Structural Materials and Engineering: Neutron scattering studies of materials and engineering processes including structural materials, concrete and metals, as well as engineering processes including combustion, corrosion, additive manufacturing, and others. Neutron Physics: Fundamental physical studies of the neutron and related areas. Emerging Applications in Neutron Scattering: Machine Learning and Data Science: Advances in computing power have contributed to rapidly evolving machine learning and data science fields that can be leveraged to the benefit of the neutron scattering community. The purpose of this session is to highlight recent advances in machine learning and data science and to serve as the foundation of a parallel data and computation track highlighting computation advances and applications in neutron scattering throughout the conference.
Topology and superconductivity, two distinct phenomena, offer unique insight into quantum properties and their applications in quantum technologies, spintronics, and sustainable energy technologies. Tin (Sn) plays a pivotal role here as an element because of its two structural phases, α-Sn exhibiting topological characteristics and β-Sn showing superconductivity. Here, we demonstrate precise control of these phases in Sn thin films using molecular beam epitaxy with systematically varied lattice parameters of the buffer layer. The Sn films exhibit either β-Sn or α-Sn phases as the buffer layer's lattice constant varies from 6.10 Å to 6.48 Å, spanning the range from GaSb (like InAs) to InSb. Further, the crystal structures of α- and β-Sn films are characterized by x-ray diffraction and confirmed by Raman spectroscopy and scanning transmission electron microscopy. Atomic force microscopy validates the smooth, continuous surface morphology. Electrical transport measurements further verify the phases: resistance drop near 3.7 K for β-Sn superconductivity and Shubnikov-de Haas oscillations for α-Sn topological characteristics. Density functional theory shows that α-Sn is stable under tensile strain and β-Sn under compressive strain, aligning well with experimental findings. Hence, this study introduces a platform controlling Sn phases through lattice engineering, enabling innovative applications in quantum technologies and beyond.
Epitaxial films of vanadium dioxide (VO 2 ) on rutile TiO 2 substrates provide a means of strain-engineering the transition pathways and stabilizing of the intermediate phases between monoclinic (insulating) M1 and rutile (metal) R end phases. In this work, we investigate structural behavior of epitaxial VO 2 thin films deposited on isostructural MgF 2 (001) and (110) substrates via temperature-dependent Raman microscopy analysis. The choice of MgF 2 substrate clearly reveals how elongation of V–V dimers accompanied by the shortening of V–O bonds triggers the intermediate M2 phase in the temperature range between 70–80 °C upon the heating–cooling cycles. Consistent with earlier claims of strain-induced electron correlation enhancement destabilizing the M2 phase our temperature-dependent Raman study supports a small temperature window for this phase. The similarity of the hysteretic behavior of structural and electronic transitions suggests that the structural transitions play key roles in the switching properties of epitaxial VO 2 thin films.
Dirac and Weyl semimetals are a central topic of contemporary condensed matter physics, and the discovery of new compounds with Dirac/Weyl electronic states is crucial to the advancement of topological materials and quantum technologies. Here we show a widely applicable strategy that uses high configuration entropy to engineer relativistic electronic states. We take the A MnSb 2 ( A = Ba, Sr, Ca, Eu, and Yb) Dirac material family as an example and demonstrate that mixing of Ba, Sr, Ca, Eu and Yb at the A site generates the compound (Ba 0.38 Sr 0.14 Ca 0.16 Eu 0.16 Yb 0.16 )MnSb 2 (denoted as A 5 MnSb 2 ), giving access to a polar structure with a space group that is not present in any of the parent compounds. A 5 MnSb 2 is an entropy-stabilized phase that preserves its linear band dispersion despite considerable lattice disorder. Although both A 5 MnSb 2 and A MnSb 2 have quasi-two-dimensional crystal structures, the two-dimensional Dirac states in the pristine A MnSb 2 evolve into a highly anisotropic quasi-three-dimensional Dirac state triggered by local structure distortions in the high-entropy phase, which is revealed by Shubnikov–de Haas oscillations measurements.
Significance While computational engineering of therapeutic proteins is a desirable goal, in practice the optimization of protein–protein interactions requires substantial experimental intervention. We present here a computational approach that focuses on stabilizing core protein structures rather than engineering the protein–protein interface. Using this approach, we designed thermostabilized interleukin-2 (IL-2) variants that bind tightly to their receptor without experimental optimization, mimicking the properties of the yeast-display engineered IL-2 variant “super-2.” Our results suggest that structure-guided stabilization may be a general method for in silico affinity maturation of protein–protein interactions.
Carbon aerogels (CAs) combine unique properties including ultra-high surface area, high electrical conductivity, corrosion resistance, and robust mechanical properties making them ideal materials for electrochemical applications. Traditional CA synthesis results in isotropic, random nanoporous networks that work well for applications relying on diffusional mass transport. However, many applications would benefit from integration of engineered macroporous network structures that enable directed pressure-gradient-driven mass transport. In this study, we report on using 3D-printed sacrificial polymeric templates to generate templated CAs (t-CAs) with integrated engineered nonrandom macroporous network structures. Specifically, we used projection micro-stereo-lithography (PμSL) and two-photon polymerization direct laser writing (2PP-DLW) to fabricate millimeter-to-centimeter-sized 3D sacrificial polymeric templates with features ranging from tens of microns (PμSL) to 100s of nanometers (2PP-DLW). T-CAs were fabricated by infiltrating the templates with resorcinol-formaldehyde (RF) precursor solution, followed by carbonization at 1050 °C to simultaneously convert the RF gel to a CA and decompose the 3D-printed template, leaving an embedded templated macroporous network structure behind. X-ray computer tomography confirms integration of the macroporous architecture defined by the template. The templated macroporous architecture improves mass transport in t-CAs compared to traditional bulk CA as demonstrated by more uniform activation and their response in electrochemical cyclic voltammetry and galvanostatic charge-discharge tests.
The electrochemical performance of vanadium redox flow batteries (VRFBs) was enhanced via laser-patterned graphite felt (GF) electrodes. The laser-structured GF electrodes engineered via preparing a series of well-ordered microscopic channel structures with an average width of 200 μm, creating a three-dimensional carbon framework. The ultrafast laser patterning increased the porosity by 10%, as compared to pristine electrode. The analysis of the overpotential distribution using electrochemical impedance spectroscopy revealed that the electrode polarization involving charge transfer and diffusion resistance is strongly alleviated with the aid of carbon micro-perforation. The advanced design of laser-structured GF electrode also exhibits high rate capability, low internal resistance, and excellent cyclability. The improved performance was attributed to the synergistic effect involving (i) high electrochemically active surface area for rapid electrochemical reactions (i.e., V(II)/V(III) and V(IV)/V(V) redox couples) and (ii) excellent transport properties for facile electron/ion/species transport. The micro-scale channels created with the laser-ablation technique act as capillary structures and enabled homogeneous and rapid wetting of GF electrodes as formulated with the classical Washburn equation. The VRFB equipped with the laser-structured GF electrodes delivered a high discharge capacity with exceptional capacity retention upon extended cycling (>84.9%). In conclusion, accordingly, the design of laser-structured electrode paves the pathway towards finely tuning the electrode internal microstructure for improved cyclability, durability, and capacity retention in various electrochemical energy storage/conversion devices (e.g. all-vanadium redox flow batteries).
We report on high‐performance computing (HPC) fully deterministic simulation of ground motions for a moment magnitude (Mw) 7.0 scenario earthquake on the Hayward fault resolved to 5 Hz using the SW4 finite‐difference code. We computed motions obeying physics‐based 3D wave propagation at a regional scale with an Mw 7.0 kinematic rupture model generated following Graves and Pitarka (2016). Both plane‐layered (1D) and 3D Earth models were considered, with 3D subsurface material properties and topography interpolated from a model of the U.S. Geological Survey (USGS). The resulting ground‐motion intensities cover a broader frequency range than typically considered in regional‐scale simulations, including higher frequencies relevant for engineering analysis of structures. Median intensities for sites across the domain are within the reported between‐event uncertainties (τ) of ground‐motion models (GMMs) across spectral periods 0.2–10 s (frequencies 0.1–5 Hz). The within‐event standard deviation ϕ of ground‐motion intensity measurement residuals range 0.2–0.5 natural log units with values consistently larger for the 3D model. Source‐normalized ratios of intensities (3D/1D) reveal patterns of path and site effects that are correlated with known geologic structure. These results demonstrate that earthquake simulations with fully deterministic wave propagation in 3D Earth models on HPC platforms produce broadband ground motions with median and within‐event aleatory variability consistent with empirical models. Systematic intensity variations for the 3D model caused by path and site effects suggest that these epistemic effects can be estimated and removed to reduce variation in site‐specific hazard estimates. This study motivates future work to evaluate the validity of the USGS 3D model and investigate the development of path and site corrections by running more scenarios.
TiO 2 nanorod (NR) array for perovskite solar cells (PSCs) has attached great importance due to superb power conversion efficiency (PCE) compared to traditional mesoporous TiO 2 film. A TiO 2 compact layer for the growth of TiO 2 NR array via spin-coating cannot meet the requirements for efficient NR based PSCs. Herein we have developed and demonstrated inserting an bifunctional extra-thin TiO 2 interlayer (5 nm) by atomic layer deposition (ALD) at the interface of FTO/TiO 2 compact layer to achieve an alleviated electron exchange and a reduced energetic barrier. Thus, an accelerated extraction of electrons from TiO 2 NR arrays via the compact layer to FTO substrate is ready for improving the PSC efficiency. The thickness of the spin-coated TiO 2 compact layer on the ALD-deposited TiO 2 layer is spontaneously optimized. Finally, an outstanding efficiency of 20.28% has been achieved from a champion PSC with negligible hysteresis and high reliability. To the best of our knowledge, this is the first time to demonstrate the superiority of TiO 2 -NR based PSCs withstanding in dry heat and thermal cycling tests. The results are of great importance for the preparation of efficient and durable PSCs for our real-world applications.
Recently, the manufacturing of porous polydimethylsiloxane (PDMS) with engineered porosity has gained considerable interest due to its tunable material properties and diverse applications. An innovative approach to control the porosity of PDMS is to use transient liquid phase water to improve its mechanical properties, which has been explored in this work. Adjusting the ratios of deionized water to the PDMS precursor during blending and subsequent curing processes allows for controlled porosity, yielding water emulsion foam with tailored properties. The PDMS-to-water weight ratios were engineered ranging from 100:0 to 10:90, with the 65:35 specimen exhibiting the best mechanical properties with a Young’s Modulus of 1.17 MPa, energy absorption of 0.33 MPa, and compressive strength of 3.50 MPa. This led to a porous sample exhibiting a 31.46% increase in the modulus of elasticity over a bulk PDMS sample. Dowsil SE 1700 was then added, improving the storage capabilities of the precursor. The optimal storage temperature was probed, with -60 °C resulting in great pore stability throughout a three-week duration. The possibility of using these water emulsion foams for paste extrusion additive manufacturing (AM) was also analyzed by implementing a rheological modifier, fumed silica. Fumed silica’s impact on viscosity was examined, revealing that 9 wt% of silica demonstrates optimal rheological behaviors for AM, bearing a viscosity of 10,290 Pa·s while demonstrating shear-thinning and thixotropic behavior. This study suggests that water can be used as pore-formers for PDMS in conjunction with AM to produce engineered materials and structures for aerospace, medical, and defense industries as sensors, microfluidic devices, and lightweight structures.
Abstract Dispersity ( Ð or M w /M n ) is an important parameter in material design and as such can significantly impact the properties of polymers. Here, polymer networks with independent control over the molecular weight and dispersity of the linear chains that form the material are developed. Using a RAFT polymerization approach, a library of polymers with dispersity ranging from 1.2—1.9 for backbone chain‐length (DP) 100, and 1.4—3.1 for backbone chain‐length 200 were developed and transformed to networks through post‐polymerization crosslinking to form disulfide linkers. The tensile, swelling, and adhesive properties were explored, finding that both at DP 100 and DP 200 the swelling ratio, tensile strength, and extensibility were superior at intermediate dispersity (1.3—1.5 for DP 100 and 1.6—2.1 for DP 200) compared to materials with either substantially higher or lower dispersity. Furthermore, adhesive properties for materials with chains of intermediate dispersity at DP 200 revealed enhanced performance compared to the very low or high dispersity chains.
Abstract Dispersity ( Ð or M w /M n ) is an important parameter in material design and as such can significantly impact the properties of polymers. Here, polymer networks with independent control over the molecular weight and dispersity of the linear chains that form the material are developed. Using a RAFT polymerization approach, a library of polymers with dispersity ranging from 1.2—1.9 for backbone chain‐length (DP) 100, and 1.4—3.1 for backbone chain‐length 200 were developed and transformed to networks through post‐polymerization crosslinking to form disulfide linkers. The tensile, swelling, and adhesive properties were explored, finding that both at DP 100 and DP 200 the swelling ratio, tensile strength, and extensibility were superior at intermediate dispersity (1.3—1.5 for DP 100 and 1.6—2.1 for DP 200) compared to materials with either substantially higher or lower dispersity. Furthermore, adhesive properties for materials with chains of intermediate dispersity at DP 200 revealed enhanced performance compared to the very low or high dispersity chains.
Highlights: • Novel ternary BiOI@MIL-88A(Fe)@g-C{sub 3}N{sub 4} core@shell photocatalyst is reported. • Photocatalytic degradation mechanism of organic pollutants is investigated. • It is divulged that the photodegradation is increased by BiOI supporting. • Core@shell structure of MIL-88A(Fe)@g-C{sub 3}N{sub 4} causes high activity. • Strong visible light absorption and electron transfer improve activity. - Abstract: Ternary novel BiOI@MIL-88A(Fe)@g-C{sub 3}N{sub 4} nanocomposite with core@shell structure was successfully synthesized by hydrothermal method. Fabricated photocatalysts were characterized and results confirmed the formation of MIL-88A(Fe)@g-C{sub 3}N{sub 4} core@shell structure and subsequently BiOI decoration on the surface of MIL-88A(Fe)@g-C{sub 3}N{sub 4}. Photocatalytic performances of prepared samples were investigated for degradation of Acid Blue 92 (AB92), Rhodamine B (RhB) and phenol under visible irradiation. It is clearly demonstrated that the as-prepared ternary BiOI@MIL-88A(Fe)@g-C{sub 3}N{sub 4} composites exhibits exceptional visible-light photocatalytic activities for cationic, anionic as well as neutral pollutant molecules compared to the widely accepted outstanding g-C{sub 3}N{sub 4}. It is mainly proved that the exceptional photocatalytic efficiencies are comprehensively ascribed to the porous structure of MIL-88A(Fe)@g-C{sub 3}N{sub 4}, greatly promoted charge separation and introduced catalytic functions to the carrier-related redox reactions by decorating BiOI and coupling g-C{sub 3}N{sub 4}, to modulate holes and electrons. Additionally, studies performed using radical scavengers showed the main reactive species in the photocataytic reaction for all chemical pollutant degradation.