Topology optimization of 3D structures with design-dependent loads

Topology optimization of continuum structures with design-dependent loads has long been a challenge. In this paper, the topology optimization of 3D structures subjected to design-dependent loads is investigated. A boundary search scheme is proposed for 3D problems, by means of which the load surface can be identified effectively and efficiently, and the difficulties arising in other approaches can be overcome. The load surfaces are made up of the boundaries of finite elements and the loads can be directly applied to corresponding element nodes, which leads to great convenience in the application of this method. Finally, the effectiveness and efficiency of the proposed method is validated by several numerical examples.

Offlattice Model in the Prediction of Protein 3D Structure

3-dimension HPNX offiattice model is developed from the 2-dimension HP offiattice model. In the HP model, 20 types of amino acid monomers are divided into two classes, H （non-polar monomer） and P （polar monomer）. In the HPNX model, polar monomers are split into positively charged （P）, negatively charged （N） and neutral （X） monomers. A new evolutionary algorithm is applied to study long chains of the HPNX offiattice protein model. This method successfully predict the structures of several proteins in the 3-dimension space that are similar to the structures gotten by X-Ray Crystallography and NMR and published in the PDB（Protein Data Bank）.

A novel knowledge-based potential for RNA 3D structure evaluation

Ribonucleic acids(RNAs)play a vital role in biology,and knowledge of their three-dimensional(3D)structure is required to understand their biological functions.Recently structural prediction methods have been developed to address this issue,but a series of RNA 3D structures are generally predicted by most existing methods.Therefore,the evaluation of the predicted structures is generally indispensable.Although several methods have been proposed to assess RNA 3D structures,the existing methods are not precise enough.In this work,a new all-atom knowledge-based potential is developed for more accurately evaluating RNA 3D structures.The potential not only includes local and nonlocal interactions but also fully considers the specificity of each RNA by introducing a retraining mechanism.Based on extensive test sets generated from independent methods,the proposed potential correctly distinguished the native state and ranked near-native conformations to effectively select the best.Furthermore,the proposed potential precisely captured RNA structural features such as base-stacking and base-pairing.Comparisons with existing potential methods show that the proposed potential is very reliable and accurate in RNA 3D structure evaluation.

A three-dimensional co-continuous network structure polymer electrolyte with efficient ion transport channels enabling ultralong-life all solid-state lithium metal batteries

Solid polymer electrolytes(SPEs)have emerged as one of the most promising candidates for the construction of solid-state lithium batteries due to their excellent flexibility,scalability,and interface compatibility with electrodes.Herein,a novel all-solid polymer electrolyte(PPLCE)was fabricated by the copolymer network of liquid crystalline monomers and poly(ethylene glycol)dimethacrylate(PEGDMA)acts as a structural frame,combined with poly(ethylene glycol)diglycidyl ether short chain interspersed serving as mobile ion transport entities.The preparaed PPLCEs exhibit excellent mechanical property and out-standing electrochemical performances,which is attributed to their unique three-dimensional cocontinuous structure,characterized by a cross-linked semi-interpenetrating network and an ionic liquid phase,resulting in a distinctive nanostructure with short-range order and long-range disorder.Remarkably,the addition of PEGDMA is proved to be critical to the comprehensive performance of the PPLCEs,which effectively modulates the microscopic morphology of polymer networks and improves the mechanical properties as well as cycling stability of the solid electrolyte.When used in a lithiumion symmetrical battery configuration,the 6 wt%-PPLCE exhibites super stability,sustaining operation for over 2000 h at 30 C,with minimal and consistent overpotential of 50 mV.The resulting Li|PPLCE|LFP solid-state battery demonstrates high discharge specific capacities of 160.9 and 120.1 mA h g^(-1)at current densities of 0.2 and 1 C,respectively.Even after more than 300 cycles at a current density of 0.2 C,it retaines an impressive 73.5%capacity.Moreover,it displayes stable cycling for over 180 cycles at a high current density of 0.5C.The super cycle stability may promote the application for ultralong-life all solid-state lithium metal batteries.

3D characterization and analysis of pore structure of packed ore particle beds based on computed tomography images

Methods and procedures of three-dimensional （3D） characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional images of specimens with single particle size of 1-2, 2-3, 3-4, 4-5, 5-6, 6-7, 7-8, 8-9, 9-10 ram. Based on the in-house developed 3D image analysis programs using Matlab, the volume porosity, pore size distribution and degree of connectivity were calculated and analyzed in detail. The results indicate that the volume porosity, the mean diameter of pores and the effective pore size （d50） increase with the increasing of particle size. Lognormal distribution or Gauss distribution is mostly suitable to model the pore size distribution. The degree of connectivity investigated on the basis of cluster-labeling algorithm also increases with increasing the particle size approximately.

The 3D magnetic structure beneath the continental margin of the northeastern South China Sea

Understanding the continental margin of the Northeastern South China Sea is critical to the study of deep structures, tectonic evolution, and dynamics of the region. One set of important data for this endeavor is the total-field magnetic data. Given the challenges associated with the magnetic data at low latitudes and with remanent magnetism in this area, we combine the equivalent-source technique and magnetic amplitude inversion to recover 3D subsurface magnetic structures. The inversion results show that this area is characterized by a north-south block division and east-west zonation. Magnetic regions strike in EW, NE and NW direction and are consistent with major tectonic trends in the region. The highly magnetic zone recovered from inversion in the continental margin differs visibly from that of the magnetically quiet zones to the south. The magnetic anomaly zone strikes in NE direction, covering an area of about 500 km × 60 km, and extending downward to a depth of 25 km or more. In combination with other geophysical data, we suggest that this strongly magnetic zone was produced by deep underplating of magma associated with plate subduction in Mesozoic period. The magnetically quiet zone in the south is an EW trending unit underlain by broad and gentle magnetic layers of lower crust. Its magnetic structure bears a clear resemblance to oceanic crust, assumed to be related to the presence of ancient oceanic crust there.

A full-length 3D structure for MAPK/ERK kinase 2 (MEK2)

As a pivotal signal pathway,the Ras/Raf/MEK/ERK cascade can be activated by multiple extracellular stimuli and can transmit signals to diverse substrates.It remains to be elucidated how so many different signals can be variously transferred by only two MEK molecules(MEK1 and MEK2) .Because of technological limitations the complete structures of the MEKs are still unavailable.Here,we report the full-length structure of MEK2 obtained by homology modeling and molecular dynamics simulations.The simulations show that the N-terminal part of MEK2 is highly flexible and this flexibility may enable MEK2 to interact with ERKs and other ligands in diverse manners that correspond to various upstream signals and downstream consequences.

How Many 3D Structures Do We Need to Train a Predictor?

It has been shown that the progress in the determination of membrane protein structure grows exponentially, with approximately the same growth rate as that of the water-soluble proteins. In order to investigate the effect of this, on the performance of prediction algorithms for both α-helical and β-barrel membrane proteins, we conducted a prospective study based on historical records. We trained separate hidden Markov models with different sized training sets and evaluated their performance on topology prediction for the two classes of transmembrane proteins. We show that the existing top-scoring algorithms for predicting the transmembrane segments of α-helical membrane proteins perform slightly better than that of β-barrel outer membrane proteins in all measures of accuracy. With the same rationale, a metaoanalysis of the performance of the secondary structure prediction algorithms indicates that existing algorithmic techniques cannot be further improved by just adding more non-homologous sequences to the training sets. The upper limit for secondary structure prediction is estimated to be no more than 70% and 80% of correctly predicted residues for single sequence based methods and multiple sequence based ones, respectively. Therefore, we should concentrate our efforts on utilizing new techniques for the development of even better scoring predictors.

Origami-Based Design for 4D Printing of 3D Support-Free Hollow Structures

The integration of additive manufacturing(AM)in design and engineering has prompted a wide spectrum of research efforts,involving topologically optimized solid/lattice structures,multimaterial structures,bioinspired organic structures,and multiscale structures,to name a few.However,except for obvious cases,very little attention has been given to the design and printing of more complex three-dimensional(3D)hollow structures or folded/creased structures.One of the main reasons is that such complex open or closed 3D cavities and regular/freeform folds generally lead to printing difficulties from support-structure-related issues.To address this barrier,this paper aims to investigate four-dimensional(4D)printing as well as origami-based design as an original research direction to design and build 3D support-free hollow structures.This work consists of describing the rough 3D hollow structures in terms of two-dimensional(2D)printed origami precursor layouts without any support structure.Such origami-based definitions are then embodied with folding functions that can be actuated and fulfilled by 3D printed smart materials.The desired 3D shape is then built once an external stimulus is applied to the active materials,therefore ensuring the transformation of the 2D origami layout to 3D structures.To demonstrate the relevance of the proposal,some illustrative cases are introduced.

Joint Inversion of the 3D P Wave Velocity Structure of the Crust and Upper Mantle under the Southeastern Margin of the Tibetan Plateau Using Regional Earthquake and Teleseismic Data

The special seismic tectonic environment and frequent seismicity in the southeastern margin of the Qinghai-Tibet Plateau show that this area is an ideal location to study the present tectonic movement and background of strong earthquakes in China's Mainland and to predict future strong earthquake risk zones. Studies of the structural environment and physical characteristics of the deep structure in this area are helpful to explore deep dynamic effects and deformation field characteristics, to strengthen our understanding of the roles of anisotropy and tectonic deformation and to study the deep tectonic background of the seismic origin of the block＇s interior. In this paper, the three-dimensional （3D） P-wave velocity structure of the crust and upper mantle under the southeastern margin of the Qinghai-Tibet Plateau is obtained via observational data from 224 permanent seismic stations in the regional digital seismic network of Yunnan and Sichuan Provinces and from 356 mobile China seismic arrays in the southern section of the north-south seismic belt using a joint inversion method of the regional earthquake and teleseismic data. The results indicate that the spatial distribution of the P-wave velocity anomalies in the shallow upper crust is closely related to the surface geological structure, terrain and lithology. Baoxing and Kangding, with their basic volcanic rocks and volcanic clastic rocks, present obvious high-velocity anomalies. The Chengdu Basin shows low-velocity anomalies associated with the Quaternary sediments. The Xichang Mesozoic Basin and the Butuo Basin are characterised by low- velocity anomalies related to very thick sedimentary layers. The upper and middle crust beneath the Chuan-Dian and Songpan-Ganzi Blocks has apparent lateral heterogeneities, including low-velocity zones of different sizes. There is a large range of low-velocity layers in the Songpan-Ganzi Block and the sub-block northwest of Sichuan Province, showing that the middle and lower crust is relatively weak. The Sichuan Basin, which is located in the western margin of the Yangtze platform, shows high-velocity characteristics. The results also reveal that there are continuous low-velocity layer distributions in the middle and lower crust of the Daliangshan Block and that the distribution direction of the low-velocity anomaly is nearly SN, which is consistent with the trend of the Daliangshan fault. The existence of the low-velocity layer in the crust also provides a deep source for the deep dynamic deformation and seismic activity of the Daliangshan Block and its boundary faults. The results of the 3D P-wave velocity structure show that an anomalous distribution of high-density, strong-magnetic and high-wave velocity exists inside the crust in the Panxi region. This is likely related to late Paleozoic mantle plume activity that led to a large number of mafic and ultra-mafic intrusions into the crust. In the crustal doming process, the massive intrusion of mantle-derived material enhanced the mechanical strength of the crustal medium. The P-wave velocity structure also revealed that the upper mantle contains a low-velocity layer at a depth of 80-120 km in the Panxi region. The existence of deep faults in the Panxi region, which provide conditions for transporting mantle thermal material into the crust, is the deep tectonic background for the area＇s strong earthquake activity.

Framework system and research flow of uncertainty in 3D geological structure models

Uncertainty in 3D geological structure models has become a bottleneck that restricts the development and application of 3D geological modeling.In order to solve this problem during periods of accuracy assessment,error detection and dynamic correction in 3D geological structure models,we have reviewed the current situation and development trends in 3D geological modeling.The main context of uncertainty in 3D geological structure models is discussed.Major research issues and a general framework system of uncertainty in 3D geological structure models are proposed.We have described in detail the integration of development practices of 3D geological modeling systems,as well as the implementation process for uncertainty evaluation in 3D geological structure models.This study has laid the basis to build theoretical and methodological systems for accuracy assessment and error correction in 3D geological models and can assist in improving 3D modeling techniques under complex geological conditions.

Investigation on 3Dt wake flow structures of swimming bionic fish

A bionic experimental platform was designed for the purpose of investigating time accurate three-dimensional flow field, using digital particle image velocimetry （DSPIV）. The wake behind the flapping trail of a robotic fish model was studied at high spatial resolution. The study was performed in a water channel. A robot fish model was designed and built. The model was fixed onto a rigid support frame- work using a cable-supporting method, with twelve stretched wires. The entire tail of the model can perform prescribed motions in two degrees of freedom, mainly in carangiform mode, by driving its afterbody and lunate caudal fin respectively. The DSPIV system was set up to operate in a trans- lational manner, measuring velocity field in a series of parallel slices. Phase locked measurements were repeated for a number of runs, allowing reconstruction of phase average flow field. Vortex structures with phase history of the wake were obtained. The study reveals some new and complex three-dimensional flow structures in the wake of the fish, including ＂reverse hairpin vortex＂ and ＂reverse Karman S-H vortex rings＂, allowing insight into physics of this complex flow.

3D Velocity Structure and Its Tectonic Implications in the East China Sea and Yellow Sea

3D structure of the crust and upper mantle in the studied area has been analyzed from surface wave tomography. The velocity distribution in the uppermost crust is symmetrical on two sides of the central line of the sea, and coincides with the structure of crystalline basement. The essential difference in tectonics between the East China Sea and the Yellow Sea mainly lies in that the velocity structures of their lower crust and upper mantle are identical to those of South China and North China respectively. In the upper mantle there exists a high-velocity zone with a nearly EW strike from the Hangzhou Bay, China, to the Tokara Channel, Japan, along about the latitude of 30°N. It is found that between the East China Sea and the Yellow Sea there are systematical differences in geomorphology, geology, seismicity, heat flow, quality factor and gravity and aeromagnetic anomalies, which is related to both left-lateral shear dislocation and right-lateral tear of the Benioff zone from the Hangzhou Bay to the Tokara Channel.It is inferred that the East China Sea was formed by Cenozoic back-arc extension. The boundary between the North China and South China crustal blocks stretches along the southern piedmont of Mts. Daba-Dabie-Hangzhou Bay-Tokara Channel, and the subduction zone at the Okinawa trench is the eastern boundary of the South China crustal block. The movements of the Pacific plate, Indian plate and upper mantle rather than the Philippine plate subduction have played a dominant role for the modern tectonic movements in East Asia.

Representation of 3D Woven Structures by Parametric Method

A parametric method is developed to quantitatively represent the microstructure of 3D woven structures. Different binding patterns, such as angle interlock and orthogonal interlock with through-thickness or layer-to-layer bindings, are classified. A unit cell of 3D woven structure is defined with four constituent yarn systems represented by nine structural parameters. A mapping relationship between the 3D woven structure and corresponding representative parameters is thus established. The study indicates that four out of the nine parameters are necessary to represent a 3D woven structure with an angle interlock binding, and that five parameters are required to describe a 3D woven structure with an orthogonal interlock binding. Once the structural parameters are determined, the pattern of 3D woven structures can be unambiguously identified, and vice versa. In addition to the purpose of structure presentation, the method can be further used as a means for designing 3D woven structure to meet the performance requirements of 3D woven composites.

MULTIPARAMETER MEASUREMENT FOR RACEWAY GROOVE OF BEARING BASED ON 3D RECONSTRUCTION WITH DIGITAL STRUCTURED LIGHT

A fast 3D reconstruction method based on structured light to measure various parameters of the raceway groove is presented. Digital parallel grating stripes distributed with sine density are projected onto the raceway groove by a DLP projector, and distorting of stripes is happened on the raceway. Simultaneously, aided by three-step phase-shifting approach, three images covered by different stripes are obtained by a high-resolution CCD camera at the same location, thus a more accuracy local topography can be obtained. And then the bearing is rotated on a high precision computer controlled rotational stage. Three images are also obtained as the former step at next planned location triggered by the motor. After one cycle, all images information is combined through the mosaics. As a result, the 3D information of raceway groove can be gained. Not only geometric properties but also surface flaws can be extracted by software. A preliminary hardware system has been built, with which some geometric parameters have been extracted from reconstructed local topography.

FEM Study of the Strain Kinematics in the 3D Nanofibrous Structure Prepared by the Electrospinning Process

Finite element model (FEM) was used for the study and description of the arising 3D nanofiber structure strain caused by the pressure of the flowing gas. Computer simulation using an adaptive networking through implicit FEM algorithm can be utilized for a significant improvement of the study of anisotropic strain in the deformed 3D nanostructure. The created model is based on the empirical Laplace-Poisson differential equation for the flow, where gas particles are moving with certain kinetic energy. The kinetic energy depends on the speed, time and temperature and affects the resulting strain of 3D nanofiber structure. The simulation results were compared to the results obtained from the image analysis of real samples and showed that this FEM model can determine individual phases of structure strain. The comparison shows that the developed FEM model can be an important tool in the study of the strain in the arising 3D nano- fiber structure and it can provide valuable information for optimization of 3D nanofiber structure production by the electrospinning process.

Development of 3D bicontinuous metal-intermetallic composites through subsequent alloying process after liquid metal dealloying

This study presents a novel process for the fabrication of metal-intermetallic composites with a 3D bicontinuous structure, achieved through a combination of liquid metal dealloying(LMD) and subsequent alloying. Initially, porous Ti structures are produced using the LMD process, followed by immersion in a molten Mg-3Al(wt%) metal. Due to the higher thermodynamic miscibility of Al with Ti compared to Mg, the concentration of Al in the Ti matrix increases as the immersion time increases. This results in a sequential phase transition within the Ti matrix: α-Ti → Ti_(3)Al → Ti Al. The phase transition considerably affects the hardness and strength of the composite material,with the Mg-Ti_(3)Al-Ti Al composite exhibiting a maximum hardness nearly twice as high as that of the conventional Mg-Ti composite. This innovative process holds potential for the development of various bicontinuous metal-intermetallic composites.

The etching strategy of zinc anode to enable high performance zinc-ion batteries

Zinc-ion batteries(ZIBs)are considered to be one of the most promising candidates to replace lithium-ion batteries(LIBs)due to the high theoretical capacity,low cost and intrinsic safety.However,zinc dendrites,hydrogen evolution reaction,surface passivation and other side reactions will inevitably occur during the charging and discharging process of Zn anode,which will seriously affect the cycle stability of the battery and hinder its practical application.The etching strategy of Zn anode has attracted wide attention because of its simple operation and broad commercial prospects,and the etched Zn anode can effectively improve its electrochemical performance.However,there is no comprehensive review of the etching strategy of Zn anode.This review first summarizes the challenges faced by Zn anode,then puts forward the etching mechanisms and properties of acid,salt and other etchants.Finally,based on the above discussion,the challenges and opportunities of Zn anode etching strategy are proposed.

Carbon-Coated Three-Dimensional MXene/Iron Selenide Ball with Core–Shell Structure for High-Performance Potassium-Ion Batteries

Two-dimensional(2D)MXenes are promising as electrode materials for energy storage,owing to their high electronic conductivity and low diffusion barrier.Unfortunately,similar to most 2D materials,MXene nanosheets easily restack during the electrode preparation,which degrades the electrochemical performance of MXene-based materials.A novel synthetic strategy is proposed for converting MXene into restacking-inhibited three-dimensional(3D)balls coated with iron selenides and carbon.This strategy involves the preparation of Fe_(2)O_(3)@carbon/MXene microspheres via a facile ultrasonic spray pyrolysis and subsequent selenization process.Such 3D structuring effectively prevents interlayer restacking,increases the surface area,and accelerates ion transport,while maintaining the attractive properties of MXene.Furthermore,combining iron selenides and carbon with 3D MXene balls offers many more sites for ion storage and enhances the structural robustness of the composite balls.The resultant 3D structured microspheres exhibit a high reversible capacity of 410 mAh g^(−1) after 200 cycles at 0.1 A g^(−1) in potassium-ion batteries,corresponding to the capacity retention of 97% as calculated based on 100 cycles.Even at a high current density of 5.0 A g^(−1),the composite exhibits a discharge capacity of 169 mAh g^(−1).

Constructing a 3D multichannel structure to enhance performance of Ni–Co–Mn hydroxide electrodes for flexible supercapacitors

The balancing of the electrochemical performance,mechanical stability,and processing technology for applying supercapacitors to flexible and wearable electronics continues to encounter severe challenges.Herein,we prepare Ni-Co-Mn hydroxide electrodes with a threedimensional multichannel structure via a simple hydrothermal method.These are constructed using vertically contiguous nano sheets with a uniform thickness and rough surface.The electrodes can provide numerous electroactive sites and accelerate the transmission of electrolyte ions.The relationship between the structure and electrochemical performances is verified by experiments and theoretical calculations.Two-dimensional(2D)planar and one-dimensional(1D)fiber electrodes are prepared using a flexible carbon cloth(CC)and carbon fiber(CF),respectively,as substrates.The assembled quasi-solid-state flexible asymmetric supercapacitor(FASC)with a twodimensional sandwich structure using NiCoMn-OH/CC as the electrode achieves a remarkable energy density of73.8 Wh·kg^(-1)at a power density of 1.03 kW·kg^(-1).The quasi-solid-state FASC with a 1D linear structure using NiCoMn-OH/CF as the electrode also attains a high energy density(12.9 Wh·kg^(-1)at a power density of0.75 W·kg^(-1)).Moreover,the electrochemical performances of the NiCoMn/CC//AC/CC and NiCoMn/CF//AC/CF FASCs are not disturbed at different bending angles(0°,45°,90°,135°and 180°),This indicates the superior flexibility of the devices.We also assemble a self-powered energy-harvesting storage system by integrating FASCs and commercial solar cells to verify its practicability.It displays sustainable development potential for energy storage.