A review on the multi-scaled structures and mechanical/thermal properties of tool steels fabricated by laser powder bed fusion additive manufacturing

The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF makes it possible to design and produce complex conformal cooling channel systems in molds.Thus,LPBF-processed tool steels have attracted more and more attention.The complex thermal history in the LPBF process makes the microstructural characteristics and properties different from those of conventional manufactured tool steels.This paper provides an overview of LPBF-processed tool steels by describing the physical phenomena,the microstructural characteristics,and the mechanical/thermal properties,including tensile properties,wear resistance,and thermal properties.The microstructural characteristics are presented through a multiscale perspective,ranging from densification,meso-structure,microstructure,substructure in grains,to nanoprecipitates.Finally,a summary of tool steels and their challenges and outlooks are introduced.

Effect of strain on structure and electronic properties of monolayer C_(4)N_(4)

The first-principles calculations are performed to examine structural,mechanical,and electronic properties at large strain for a monolayer C_(4)N_(4),which has been predicted as an anchoring promising material to attenuate shuttle effect in Li–S batteries stemming from its large absorption energy and low diffusion energy barrier.Our results show that the ideal strengths of C_(4)N_(4)under tension and pure shear deformation conditions reach 13.9 GPa and 12.5 GPa when the strains are 0.07 and 0.28,respectively.The folded five-membered rings and diverse bonding modes between carbon and nitrogen atoms enhance the ability to resist plastic deformation of C_(4)N_(4).The orderly bond-rearranging behaviors under the weak tensile loading path along the[100]direction cause the impressive semiconductor–metal transition and inverse semiconductor–metal transition.The present results enrich the knowledge of the structure and electronic properties of C_(4)N_(4)under deformations and shed light on exploring other two-dimensional materials under diverse loading conditions.

Effect of Fe_(2)O_(3)on the Structure,Physical Properties and Crystallization of CaO-Al_(2)O_(3)-SiO_(2)Glass

The calcium aluminosilicate-based glasses(CaO-Al_(2)O_(3)-SiO_(2),CAS)with different Fe_(2)O_(3)content(0.10wt%,0.50wt%,0.90wt%,and 1.30wt%)were prepared by traditional melt-quenching method.The glass network structure,thermal and mechanical properties,and crystallization behavior changes were investigated by nuclear magnetic resonance spectrometer,Fourier-transform infrared spectro-photometer,X-ray diffractometer,differential scanning calorimetry and field emission scanning electron microscope measurements.The change of Q^(n)in glass structures reveals the glass network connectivity decreases due to the increasing content of Fe_(2)O_(3)addition,resulting in the increasing of non-bridging number in glass structure.The glass densities slightly rise from 2.644 to 2.681 g/cm^(3),while Vickers’s hardness increases at first,from 6.469 to 6.901 GPa,then slightly drops to 6.745 GPa,with Fe_(2)O_(3)content increase.There is almost no thermal expansion coefficient change from different Fe_(2)O_(3)content.The glass transmittance in visible range gradually decreases with higher Fe_(2)O_(3)content,resulting from the strong absorption of Fe^(2+)and Fe^(3+)ions.The calculated activation energy from thermal analysis results first decreases from 282.70 to 231.18 kJ/mol,and then increases to 244.02 kJ/mol,with the Fe_(2)O_(3)content increasing from 0.10wt%to 1.30wt%.Meanwhile,the maximum Avrami constant of 2.33 means the CAS glasses exhibit two-dimensional crystallization.All of the CAS glass-ceramics samples contain main crystal phase of anorthite,the microstructure appears lamellar and columnar crystals.

Structure,electronic,and nonlinear optical properties of superalkaline M_(3)O(M=Li,Na)doped cyclo[18]carbon

Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm.

Mechanical Properties and Electronic Structures of M(M=Ti,V,Cr,Mn and Fe)Dopedβ-Si_(3)N_(4) from First-Principle

The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters ofβ-Si_(3)N_(4) were consistent with previous date.The cohesive energy and formation enthalpy show that initialβ-Si_(3)N_(4) has the highest structural stability.The calculated elastic constant and the Voigt-Reuss-Hill approximation indicate that elastic moduli ofβ-Si_(3)N_(4) are slightly reduced by M doping.Based on Poisson’s and Pugh’s ratio,β-Si_(3)N_(4) is a ductile material and the toughness ofβ-Si_(3)N_(4) increases with M doping,and Fe doping exhibited the best toughness.The results of density of states,charge distributions and overlapping populations indicate thatβ-Si_(3)N_(4) has the strong covalent and ionic bond strength between N and Si.

Pressure drop of structured packing in pilot column and comparison to common correlations

Packed columns are widely used in the chemical industry such as absorption,stripping,distillation,and extraction in the production of e.g.organic chemicals,and pharmaceuticals.Pressure loss and pressure drop correlations are of special interest when it comes to the hydrodynamic properties of a column.The pressure loss across the column is of interest in the design phase when the size of the blower to drive the gas stream through the column has to be decided.The loading point and flooding point are also influenced by the pressure loss and the area of operation is determined from these points.This work examines four different correlations on pressure drop.The correlations are(i)Ergun’s equation(1952),(ii)an improved version of Ergun’s equation by Stichlmair,Bravo,and Fair(1989),(iii)an equation developed by Billet and Schultes(1999),and(iv)an equation by Rocha,Bravo,and Fair(1993).The complexity of the correlations is increasing in the mentioned order,Ergun’s equation being the simplest one.This study investigates if the more complicated correlations give better predictions to pressure drop in packed columns.This is determined by comparing the correlations to experimental data for pressure drop in a packed column with 8.2 m of structured packing using water as the liquid and atmospheric air as the gas.Seven experiments were carried out for determining the pressure drop in the column with liquid flows varying from 0 to 500 kg·h^(-1).At constant liquid flow,the gas flow was varied from approximately 10 to 70 kg·h^(-1).The pressure drop across the non-wetted column was best described by the correlation by Rocha et al.while the pressure drop for liquid flows from 100 to 500 kg·h^(-1)was,in general,best described by Stichlmair’s equation.For an irrigated column,the highest deviation was a predicted pressure drop 69.6%lower than measured.The best prediction was 0.1%higher than the measured.This study shows,surprisingly,that for a system of water and atmospheric air,complicated correlations on pressure drop determination do not provide better estimates than simple equations.

Correlation of the Mechanical Properties of Polycrystalline Ni_3Al Alloys with Their Electronic Structure

The electronic structure of Ni_3Al alloys with different B contents has been investigated by measuring the positron lifetime spectra.The segregation of B atoms to defects could form strong covalent bondings with Ni and Al atoms and make the electronic structure in those locations similar to that in bulk,thus strengthen their cohesion.The interaction of B atoms,which were solid-solutioned in the crystal lattice of Ni_3Al in a manner of occupying interstitial sites,with Ni and Al atoms resulted in the increase of the density of valent electrons,thus increased the bonding cohesion in bulk.The im- provement of the mechanical properties of Ni_3Al alloys by B doping was due to both“grain bounda- ry effect”and“bulk effect”of B,which correlated with their electronic structure.

DFT Study on the Correlation between Thermodynamical Property and Molecular Structure of Polybromo-phenoxathiin

Complete optimization was conducted for 136 polybromo-phenoxathiin congeners（PBPTs） on the B3LYP/6-31G＊ level with Gaussian 03 program.The structural parameters and thermodynamical parameters of each molecule were obtained under the standard state of 298.15 K and 1.013×10^5 Pa.Reverse linear regression was employed to establish the quantitative structure-property correlation models between heat capacity at constant volume（CVθ）,entropy（Sθ）,standard heat of formation（△fHθ） and standard free energy of formation（△fGθ） of PBPTs and the structural parameters（the most negative atomic charge（q^-） and molecular average polarizability（α））.These models presented better correlations（r^2〉0.97）.And they were validated by variance inflation factor（VIF） and t-test,which can better explain the regularity of thermodynamical property of PBPTs,and has good stability and great prediction ability.

A comparison study on structure-function relationship of polysaccharides obtained from sea buckthorn berries using different methods:antioxidant and bile acid-binding capacity

In this study,the structural characters,antioxidant activities and bile acid-binding ability of sea buckthorn polysaccharides(HRPs)obtained by the commonly used hot water(HRP-W),pressurized hot water(HRP-H),ultrasonic(HRP-U),acid(HRP-C)and alkali(HRP-A)assisted extraction methods were investigated.The results demonstrated that extraction methods had significant effects on extraction yield,monosaccharide composition,molecular weight,particle size,triple-helical structure,and surface morphology of HRPs except for the major linkage bands.Thermogravimetric analysis showed that HRP-U with filamentous reticular microstructure exhibited better thermal stability.The HRP-A with the lowest molecular weight and highest arabinose content possessed the best antioxidant activities.Moreover,the rheological analysis indicated that HRPs with higher galacturonic acid content and molecular weight showed higher viscosity and stronger crosslinking network(HRP-C,HRP-W and HRP-U),which exhibited stronger bile acid binding capacity.The present findings provide scientific evidence in the preparation technology of sea buckthorn polysaccharides with good antioxidant and bile acid binding capacity which are related to the structure affected by the extraction methods.

Structural Transformations and Multiferroic Properties of Bi_(1-x)Eu_(x)Fe_(0.95)Co_(0.05)O_(3)(x=0.05,0.10,0.15,and 0.20)

Bi_(1-x)Eu_(x)Fe_(0.95)Co_(0.05)O_(3 )(x=0.05,0.10,0.15,and 0.20) nanoparticles were prepared through the sol-gel technique.Its structure,local electronic structure,magnetic and electric properties were systematically investigated.X-ray diffraction data show(104),(110) bimodal alignment and high angular migration,indicating that with the increase of Eu substitution at Bi site,the structure of BFO undergoes a continuous change in crystal structure.The hysteresis loop and the FC/ZFC curve show how magnetism varies with the size of the field and temperature.Finally,the causes of magnetic changes were analyzed by studying SXAS and hysteresis loops.

Changes of structure and functional properties of rice protein in the fresh edible rice during the seed development

It has been reported that fresh edible rice has more bioactive compounds and its protein is easier to digest and has lower hypoallergenic than mature rice. In this paper, the changes in structure and functional properties of proteins at five different stages, including early milky stage(EMS), middle milky stage(MMS), late milky stage(LMS), waxy ripe stage(WS)and ripening stage(RS), during the seed development were investigated. It was found that with the seed developing, the molecular weight of fresh rice protein gradually become larger while the secondary structure changed from the highest content of disordered structure at MMS to the highest content of ordered structure at RS, which affect the surface hydrophobicity and then the functional properties of proteins, including foaming properties, emulsifying properties and oil holding capacity. Fresh rice protein at MMS has the strongest surface hydrophobicity while fresh edible rice protein at RS has the strongest oil holding capability. The results of our study can provide a theoretical basis for the application of fresh rice protein in the food industry and help to develop new fresh edible rice food.

Structure and 2p decay mechanism of^(18)Mg

The recently discovered,extremely proton-rich nuclide 18 Mg exhibits ground-state decay via two sequential two-proton(2p)emissions through the intermediate nucleus,16Ne.This study investigates the structure and the initial 2p decay mechanism of^(18)Mgby examining the density and correlations of the valence protons using a three-body Gamow coupled-channel method.The results show that the ground state of^(18)Mgis significantly influenced by the continuum,resulting in a significant s-wave component.However,based on the current framework,this does not lead to a significant deviation in mirror symmetry in either the structure or spectroscopy of the 18Mg-18C pair.Additionally,the time evolution analysis of the^(18)Mgground state suggests a simultaneous 2p emission during the first step of decay.The observed nucleon-nucleon correlations align with those of the light-mass 2p emitters,indicating a consistent decay behavior within this nuclear region.

Pore-scale modeling of pore structure properties and wettability effect on permeability of low-rank coal

Permeability is a key parameter for coalbed methane development.Although the absolute permeability of coal has been extensively studied,wettability and pore structure properties continue to challenge the microscopic description of water-gas flow in coal.For this purpose,we reconstructed the microstructures of low-rank coal using micro-computed tomography(micro-CT)images.Pore geometry and pore-throat parameters are introduced to establish a relationship with absolute permeability.A dual-porosity pore network model is developed to study water-gas displacement under different wetting and pore structure properties.Results show that absolute permeability is significantly affected by pore geometry and can be described using a binary quadratic function of porosity and fractal dimension.Water-gas relative permeability varies significantly and the residual gas saturation is lower;the crossover saturation first decreased and then increased with increasing porosity under hydrophobic conditions.While the water relative permeability is lower and a certain amount of gas is trapped in complex pore-throat networks;the crossover saturation is higher under hydrophilic conditions.Models with large percolating porosity and well-developed pore networks have high displacement efficiency due to low capillary resistance and avoidance of trapping.This work provides a systematic description of absolute permeability and water-gas relative permeability in coal microstructure for enhanced gas recovery.

Recent progress in flexible capacitive sensors:Structures and properties

The future intelligent era that will be brought about by 5G technology can be well predicted.For example,the connection between humans and smart wearable devices will become increasingly more intimate.Flexible wearable pressure sensors have received much attention as a part of this process.Nevertheless,there is a lack of complete and detailed discussion on the recent research status of capacitive pressure sensors composed of polymer composites.Therefore,this article will mainly discuss the key concepts,preparation methods and main performance of flexible wearable capacitive sensors.The concept of a processing“toolbox”is used to review the developmental status of the dielectric layer as revealed in highly cited literature from the past five years.The preparation methods are categorized into types of processing:primary and secondary.Using these categories,the preparation methods and structure of the dielectric layer are discussed.Their influence on the final capacitive sensing behavior is also addressed.Recent developments in the electrode layer are also systematically reviewed.Finally,the results of the above discussion are summarized and future development trends are discussed.

Mineralogical characteristics,metallurgical properties and phase structure evolution of Ca-rich hematite sintering

In order to study the sintering characteristics of Ca-rich iron ore,chemical analysis,laser diffraction,scanning electron microscopy,XRD-Rietveld method,and micro-sintering were used to analyze the mineralogical properties and sintering pot tests were used to study the sintering behavior.In addition,a grey correlation mathematical model was used to calculate and compare the comprehensive sintering performance under different calcium-rich iron ore contents.The results demonstrate that the Ca-rich iron ore has coarse grain size and strong self-fusing characteristics with Ca element in the form of calcite(CaCO_(3)) and the liquid phase produced by the self-fusing of the calcium-rich iron ore is well crystallized.Its application with a 20wt%content in sintering improves sinter productivity,reduces fuel consumption,enhances reduction index,and improves gas permeability in blast furnace by 0.45 t/(m^(2)·h),6.11 kg/t,6.17%,and 65.39 kPa·℃,respectively.The Ca-rich iron ore sintering can improve the calorific value of sintering flue gas compared with magnetite sintering,which is conducive to recovering heat for secondary use.As the content of the Ca-rich iron ore increases,sinter agglomeration shifts from localized liquid-phase bonding to a combination of localized liquid-phase bonding and iron oxide crystal connection.Based on an examination of the greater weight value of productivity with grey correlation analysis,the Ca-rich iron ore is beneficial for the comprehensive index of sintering in the range of 0-20wt%content.Therefore,it may be used in sintering with magnetite concentrates as the major ore species.

Elucidation of the structure, antioxidant, and interfacial properties of flaxseed proteins tailored by microwave treatment

The microwave treatment is commonly applied to flaxseed to release nutrients, inactivate enzymes, remove cyanogens,and intensify flavors. The current study aimed to explore the influences of microwave exposure on the antioxidant and interfacial properties of flaxseed protein isolates(FPI), focusing on the altering composition and molecular structure.The results showed that after microwave exposure(700 W, 1–5 min), more compact assembly of storage proteins and subsequent permeation by membrane fragments of oil bodies occurred for cold-pressing flaxseed flours. Moreover, the particle sizes of FPI was progressively reduced with the decrement ranged from 37.84 to 60.66%(P<0.05), whereas the zeta potential values initially decreased and then substantially recovered during 1–5 min of microwave exposure. The conformation unfolding, chain cross-linking, and depolymerization were sequentially induced for FPI based on the analysis of fluorescence emission spectra, secondary structure, and protein subunit profiles, thereby affecting the dispersion or aggregation properties between albumin and globulin fractions in FPI. Microwave exposure retained specific phenolic acids and superior in vitro antioxidant activities of FPI. The inferior gas–water interface absorption and the loose/porous assembly structure were observed for the foams prepared by FPI, concurrent with obviously shrinking foaming properties upon microwave exposure. Improving oil–water interface activities of FPI produced the emulsion droplets with descending sizes and dense interface coating, which were then mildly destabilized due to the lipid leakage and weakened rheological behavior with microwave exposure extended to 5 min. Our findings elucidated that microwave treatment could tailor the application functionality of protein fractions in flaxseed based on their in situ structural remodeling.

Microstructure,Properties,and Grain Growth Kinetics of Mo-5Ta Refractory Sputtering Targets Prepared by SPS

Mo-5Ta targets were prepared by the spark plasma sintering(SPS)technology under the sintering temperatures of 1400-1600℃,the holding times of 0-20 min,and the axial pressure of 30 MPa.The microstructure,performance,and grain growth kinetics of Mo-5Ta sputtering targets were studied.With the increase of sintering temperatures and times,Ta can more dissolve in Mo and form a Mo(Ta)solid solution.The grain sizes of Mo-5Ta targets remain unchanged at low temperatures(1400-1500℃)while increasing significantly at high temperature(1600℃)with the extension of the holding time.In addition,the densities and Vickers hardness(HV_(0.5))first ascend and then decrease with sintering proceeding.The thermal conductivity is positively correlated with the grain size and density,as a result of their joint action.Based on the comprehensive analysis,the grain growth is dominated by the combination of boundary diffusion and volume diffusion.When n=2,the activation energies of grain growth under holding times of 5,10,20 min are calculated as 762.70,617.86,and 616.52 kJ/mol,respectively.

Modeling and petrophysical properties of digital rock models with various pore structure types: An improved workflow

Pore structure is a crucial factor affecting the physical properties of porous materials,and understanding the mechanisms and laws of these effects is of great significance in the fields of geosciences and petroleum engineering.However,it remains a challenge to accurately understand and quantify the relationship between pore structures and effective properties.This paper improves a workflow to focus on investigating the effect of pore structure on physical properties.First,a hybrid modeling approach combining process-based and morphology-based methods is proposed to reconstruct 3D models with diverse pore structure types.Then,the characteristics and differences in pore structure in these models are compared.Finally,the varia-tion laws and pore-scale mechanisms of the influence of pore structure on physical properties(permeability and elasticity)are discussed based on the reconstructed models.The relationship models between pore structure parameters and perme-ability/elastic parameters in the grain packing model are established.The effect of pore structure evolution on permeability/elasticity and the microscopic mechanism in three types of morphology-based reconstruction models are explored.The influence degree of pore structure on elastic parameters(bulk modulus,shear modulus,P-wave velocity,and S-wave veloc-ity)is quantified,reaching 29.54%,51.40%,18.94%,and 23.18%,respectively.This work forms a workflow for exploring the relationship between pore structures and petrophysical properties at the microscopic scale,providing more ideas and references for understanding the complex physical properties in porous media.

Structure, Formation, Properties, and Application of Calcium and Magnesium Silicate Hydrates System—A Review

In order to expand the advantages of strong durability and high compressive strength of calcium silicate hydrates(C-S-H),at the same time to make up for the poor early mechanical strength of magnesium silicate hydrates (M-S-H),we present the features and advantages of C-S-H and M-S-H and a comprehensive review of the progress on CaO-MgO-SiO_(2)-H_(2)O.Moreover,we systematically describe natural calcium and magnesium silicate minerals and thermodynamic properties of CaO-MgO-SiO_(2)-H_(2)O.The effect of magnesium on C-S-H and calcium on M-S-H is summarized deeply;the formation and structural feature of CaO-MgO-SiO_(2)-H_(2)O is also explained in detail.Finally,the development of calcium and magnesium silicate hydrates in the future is pointed out,and the further research is discussed and estimated.

Mechanical Properties and Energy Absorption of Integrated AlSi10Mg Shell Structures with BCC Lattice Infill

Shell-infill structures comprise an exterior solid shell and an interior lattice infill,whose closed features yield superior comprehensive mechanical performance and light weight.Additive manufacturing(AM)can ensure the fabrica-tion of complex structures.Although the mechanical behaviors of lattice structures have been extensively studied,the corresponding mechanical performances of integrated-manufactured shell structures with lattice infills should be systematically investigated due to the coupling effect of the exterior shell and lattice infill.This study investigated the mechanical properties and energy absorption of AlSi10Mg shell structures with a body-centered cubic lattice infill fabricated by AM.Quasi-static compressive experiments and corresponding finite element analysis were conducted to investigate the mechanical behavior.In addition,two different finite element modeling methods were compared to determine the appropriate modeling strategy in terms of deformation behavior.A study of different parameters,including lattice diameters and shell thicknesses,was conducted to identify their effect on mechanical performance.The results demonstrate the mechanical advantages of shell-infill structures,in which the exterior shell strengthens the lattice infill by up to 2.3 times in terms of the effective Young’s modulus.Increasing the infill strut diameter can improve the specific energy absorption by up to 1.6 times.