The Negative Thermal Expansion Property of NdMnO_(3) Based on Pores Effect and Phase Transition

A novel negative thermal expansion(NTE) material NdMnO_(3) was synthesized by solid-state method at 1 523 K. The crystal structure, phase transition, pores effect and negative expansion properties of NdMnO_(3) were investigated by variable temperature X-ray diffraction(XRD), scanning electron microscope(SEM) and variable temperature Raman spectra. The compound exhibits NTE properties in the orderly O' phase crystal structure. When the temperature is from 293 to 759 K, the ceramic NdMnO_(3) shows negative thermal expansion of-4.7×10^(-6)/K. As temperature increases, the ceramic NdMnO_(3) presents NTE property range from 759 to 1 007 K. The average linear expansion coefficient is-18.88×10^(-6)/K. The physical mechanism of NTE is discussed and clarified through experiments.

Modification of streamer-to-leader transition model based on radial thermal expansion in the sphere-plane gap discharge at high altitude

Historically,streamer-to-leader transition studies mainly focused on the rod-plane gap and low altitude analysis,with limited attention paid to the sphere-plane gap at high altitude analysis.In this work,sphere-plane gap discharge tests were carried out under the gap distance of 5 m at the Qinghai Ultra High Voltage(UHV)test base at an altitude of 2200 m.The experiments measured the physical parameters such as the discharge current,electric field intensity and instantaneous optical power.The duration of the dark period and the critical charge of streamer-toleader transition were obtained at high altitude.Based on radial thermal expansion of the streamer stem,we established a modified streamer-to-leader transition model of the sphere-plane gap discharge at high altitude,and calculated the stem temperature,stem radii and the duration of streamer-to-leader transition.Compared with the measured duration of sphere-plane electrode discharge at an altitude of 2200 m,the error rate of the modified model was 0.94%,while the classical model was 6.97%,demonstrating the effectiveness of the modified model.From the comparisons and analysis,several suggestions are proposed to improve the numerical model for further quantitative investigations of the leader inception.

Properties of Ultra-low Thermal Expansion LAS Transparent Glass-ceramics Prepared by Spodumene

The glass-ceramics were prepared with the spodumene mineral as the main raw material,and the effects of ZrO_(2)replacing TiO_(2)on the samples were systematically investigated.The results show that the substitution of ZrO_(2)for TiO_(2)is not conductive to precipitate𝛽β-quartz solid solution phase,but can improve the transparency and flexural strength of glass-ceramics.And the glass-ceramic with the highest visible light transmittance(87%)and flexural strength(231.80 MPa)exhibits an ultra-low thermal expansion of-0.028×10^(-7)K^(-1)in the region of 30-700℃.

Rolling Decision Model of Thermal Power Retrofit and Generation Expansion Planning Considering Carbon Emissions and Power Balance Risk

With the increasing urgency of the carbon emission reduction task,the generation expansion planning process needs to add carbon emission risk constraints,in addition to considering the level of power adequacy.However,methods for quantifying and assessing carbon emissions and operational risks are lacking.It results in excessive carbon emissions and frequent load-shedding on some days,although meeting annual carbon emission reduction targets.First,in response to the above problems,carbon emission and power balance risk assessment indicators and assessment methods,were proposed to quantify electricity abundance and carbon emission risk level of power planning scenarios,considering power supply regulation and renewable energy fluctuation characteristics.Secondly,building on traditional two-tier models for low-carbon power planning,including investment decisions and operational simulations,considering carbon emissions and power balance risks in lower-tier operational simulations,a two-tier rolling model for thermal power retrofit and generation expansion planning was established.The model includes an investment tier and operation assessment tier and makes year-by-year decisions on the number of thermal power units to be retrofitted and the type and capacity of units to be commissioned.Finally,the rationality and validity of the model were verified through an example analysis,a small-scale power supply system in a certain region is taken as an example.The model can significantly reduce the number of days of carbon emissions risk and ensure that the power balance risk is within the safe limit.

Statics, vibration, and buckling of sandwich plates with metamaterial cores characterized by negative thermal expansion and negative Poisson's ratio

This paper proposes a three-dimensional(3D)Maltese cross metamaterial with negative Poisson’s ratio(NPR)and negative thermal expansion(NTE)adopted as the core layers in sandwich plates,and aims to explore the relations between the mechanical responses of sandwich composites and the NPR or NTE of the metamaterial.First,the NPR and NTE of the metamaterial are derived analytically based on energy conservation.The effective elastic modulus and mass density of the 3D metamaterial are obtained and validated by the finite element method(FEM).Subsequently,the general governing equation of the 3D sandwich plate under thermal environments is established based on Hamilton’s principle with the consideration of the von Kármán nonlinearity.The differential quadrature(DQ)FEM(DQFEM)is utilized to obtain the numerical solutions.It is shown that NPR and NTE can enhance the global stiffness of sandwich structures.The geometric parameters of the Maltese cross metamaterial significantly affect the responses of the thermal stress,natural frequency,and critical buckling load.

Tailoring of thermal expansion and phase transition temperature of ZrW_(2)O_8 with phosphorus and enhancement of negative thermal expansion of ZrW_(1.5)P_(0.5)O_(7.75)

ZrW_(2)O_(8)is a typical isotropic negative thermal expansion material with cubic structure.However,quenching preparation,pressure phase transition and metastable structure influence its practical applications.Adopting P to part-substitute W for ZrW_(2-x)P_(x)O_(8-0.5x)has decreased the sintering temperature and avoided the quenching process.When x=0.1,ZrW_(1.9)P_(0.1)O_(7.95)with a stable cubic structure can be obtained at 1150℃.The thermal expansion coefficient is tailored with the P content,and phase transition temperature is lowered.When x=0.5,thermal expansion coefficient attains-13.6×10^(-6)℃^(-1),ZrW_(1.5)P_(0.5)O_(7.75)exhibits enhance negative thermal expansion property.The difference of electronegativity leads to the decrease of phase transition temperature with the increase of P content.The different radii of ions lead to new structure of materials when P substitutes more.The results suggest that the P atom plays the stabilization role in the crystal structure of ZrW_(2-x)P_(x)O_(8-0.5x).

Evaluating thermal expansion in fluorides and oxides:Machine learning predictions with connectivity descriptors

Open framework structures(e.g.,ScF_(3),Sc_(2)W_(3O)_(12),etc.)exhibit significant potential for thermal expansion tailoring owing to their high atomic vibrational degrees of freedom and diverse connectivity between polyhedral units,displaying positive/negative thermal expansion(PTE/NTE)coefficients at a certain temperature.Despite the proposal of several physical mechanisms to explain the origin of NTE,an accurate mapping relationship between the structural–compositional properties and thermal expansion behavior is still lacking.This deficiency impedes the rapid evaluation of thermal expansion properties and hinders the design and development of such materials.We developed an algorithm for identifying and characterizing the connection patterns of structural units in open-framework structures and constructed a descriptor set for the thermal expansion properties of this system,which is composed of connectivity and elemental information.Our developed descriptor,aided by machine learning(ML)algorithms,can effectively learn the thermal expansion behavior in small sample datasets collected from literature-reported experimental data(246 samples).The trained model can accurately distinguish the thermal expansion behavior(PTE/NTE),achieving an accuracy of 92%.Additionally,our model predicted six new thermodynamically stable NTE materials,which were validated through first-principles calculations.Our results demonstrate that developing effective descriptors closely related to thermal expansion properties enables ML models to make accurate predictions even on small sample datasets,providing a new perspective for understanding the relationship between connectivity and thermal expansion properties in the open framework structure.The datasets that were used to support these results are available on Science Data Bank,accessible via the link https://doi.org/10.57760/sciencedb.j00113.00100.

Thermal expansion behavior of sintered Nd–Fe–B magnets with different Co contents and orientations

The thermal expansion behavior of sintered Nd–Fe–B magnets is a crucial parameter for production and application.However, this aspect has not been thoroughly investigated. In this study, three different sintered Nd–Fe–B magnets with varying Co content(Co = 0, 6, 12 wt%) were prepared using the conventional powder metallurgy method, and four magnets oriented under different magnetic fields were prepared to compare. The thermal expansion behavior for the magnets was investigated using a linear thermal dilatometry in the temperature range of 20℃–500℃. It was found that, the coefficient of thermal expansion(CTE) increases with the increase of Co contents, while the anisotropy of thermal expansion decreases.The introduction of Co leads to continuous changes from negative to positive thermal expansion in the vertically oriented direction, which is important for the development of zero thermal expansion magnets. The thermal expansion of nonoriented magnets was found to be isotropic. Additionally, the anisotropy of thermal expansion increases with the increase of orientation degree. These results have important implications for the development of sintered Nd–Fe–B with controllable CTE.

Anisotropic thermal expansion in high-entropy multicomponent AlB_(2)-type diboride solid solutions

High-entropy(HE)ultra-high temperature ceramics have the chance to pave the way for future applications propelling technology advantages in the fields of energy conversion and extreme environmental shielding.Among others,HE diborides stand out owing to their intrinsic anisotropic layered structure and ability to withstand ultra-high temperatures.Herein,we employed in-situ high-resolution synchrotron diffraction over a plethora of multicomponent compositions,with four to seven transition metals,with the intent of understanding the thermal lattice expansion following different composition or synthesis process.As a result,we were able to control the average thermal expansion(TE)from 1.3×10^(−6)to 6.9×10^(−6)K^(−1)depending on the combination of metals,with a variation of in-plane to out-of-plane TE ratio ranging from 1.5 to 2.8.

Magneto-volume effect in Fe_(n)Ti_(13-n)clusters during thermal expansion

Ab initio molecular dynamics calculations have been carried out to search for the ground state structure of Fe_(n)Ti_(13-n)clusters and measure the thermal expansion of Fe_(n)Ti_(13-n).The volume of Fe_(n)Ti_(13-n)clusters during thermal expansion is jointly determined by anharmonic interaction and magneto-volume effect.It has been found that Fe_(6)Ti_(7),Fe_9Ti_(4),Fe_(11)Ti_(2),and Fe_(13)clusters can exhibit the remarkable magneto-volume effect with abnormal volume behaviors and magnetic moment behaviors during thermal expansion.A prerequisite for the magneto-volume effect of Fe_(n)Ti_(13-n)clusters during thermal expansion has been revealed and the magnitude of the magneto-volume is also approximately determined.Furthermore,the magneto-volume behaviors of Fe_(n)Ti_(13-n)clusters are qualitatively characterized by the energy contour map.Our results shed light on the mechanism of the magneto-volume effect in Fe_(n)Ti_(13-n)clusters during thermal expansion,which can guide the design of nanomaterials with zero expansion or even controllable expansion properties.

Negative thermal expansion and phase transition of low-temperature Mg_(2)NiH_(4)

The negative thermal expansion(NTE) phenomenon is of great significance in fabricating zero thermal expansion(ZTE) materials to avoid thermal shock during heating and cooling. NTE is observed in limited groups of materials, e.g., metal cyanides, oxometallates, and metalorganic frameworks, but has not been reported in the family of metal hydrides. Herein, a colossal and continuous negative thermal expansion is firstly developed in the low-temperature phases of LT1-and LT2-Mg_(2)NiH_(4) between 488 K and 733 K from in-situ transmission electron microscope(TEM) video, with the volume contraction reaching 18.7% and 11.3%, respectively. The mechanisms for volume contraction of LT1 and LT2 phases are elucidated from the viewpoints of phase transformation, magnetic transition, and dehydrogenation, which is different from common NTE materials containing flexible polyhedra units in the structure. The linear volume shrinkage of LT2 in the temperature of 488-553 K corresponds to the phase transition of LT2→HT with a thermal expansion coefficient of -799.7 × 10^(-6) K^(-1) revealed by in-situ synchrotron powder X-ray diffraction. The sudden volume contraction in LT1 between 488 and 493 K may be caused by the rapid dehydrogenation of LT1 to Mg_(2)Ni. The revealed phenomenon in single composite material with different structures would be significant for preparing zero thermal expansion materials by tuning the fraction of LT1 and LT2 phases.

Microstructure evolution and thermal expansion of Cu-Zn alloy after high pressure heat treatment

The thermal expansion coefficients of Cu-Zn alloy before and after high pressure treatment were measured by thermal expansion instrument in the temperature range of 25？700 ℃,and the microstructure and phase transformation of the alloy were examined by optical microscope,X-ray diffractometer（XRD） and differential scanning calorimeter（DSC）.Based on the experimental results,the effects of high pressure treatment on the microstructure and thermal expansion of Cu-Zn alloy were investigated.The results show that the high pressure treatment can refine the grain and increase the thermal expansion coefficient of the Cu-Zn alloy,resulting in that the thermal expansion coefficient exhibits a high peak value on the α-T curve,and the peak value decreases with increasing the pressure.

Effects of cooling rate on thermal expansion of Cu_(49)Hf_(42)Al_9 metallic glass

Effects of cooling rate on thermal expansion of Cu49Hf42Al9 metallic glass were studied. Five types of amorphous samples with different sizes were prepared in order to get a broad range of cooling rates （from 102 to 107 K/s）. The average thermal expansion coefficients （αaver） of as-quenched samples range from 6.14×10-6 to 9.20×10-6 K-1. When the temperature is below the glass transformation temperature （Tg）, αaver of as-quenched samples has a negative correlation with cooling rate; the values of αaver of annealed and crystallized samples are closed to each other. The results indicate that the amount and motion of free volume play important roles in thermal expansion of metallic glasses.

Anisotropy of Thermal-expansion for β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine： Quantum Chemistry Calculation and Molecular Dynamics Simulation

Molecular dynamics simulations on octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine （HMX） at 303-383 K and atmospheric pressure are carried out under NPT ensemble and COMPASS force field, the equilibrium structures at elevated temperatures were obtained and showed that the stacking style of molecules don＇t change. The coefficient of thermal expansion （CTE） values were calculated by linear fitting method. The results show that the CTE values are close to the experimental results and show anisotropy. The total energies of HMX cells with separately increasing expansion rates （100%-105%） along each crystallographic axis was calculated by periodic density functional theory method, the results of the energy change rates are anisotropic, and the correlation equations of energy change-CTE values are established. Thus the hypostasis of the anisotropy of HMX crystal＇s thermal expansion, the determinate molecular packing style, is elucidated.

Thermal expansion behavior, microhardness and electrochemical corrosion resistance properties of Au_(52)Cu_(27)Ag_(17-x)(NiZn_(0.5))_x alloys

The thermal expansion behavior, microhardness and electrochemical corrosion resistance of Au52Cu27Ag17-x（NiZn0.5）x （x=0,6 and 12） alloys were investigated by dilatometer （DIL）, microhardness tester, electrochemical workstation, X-ray diffractometer（XRD）, scanning electron microscopy （SEM）, transmission electron microscopy （TEM） and X-ray photoelectron spectroscopy （XPS）.With increasing x, the relative length expansion and DIL maximum temperature Tl m （i.e., thermal stability） of the alloys increase inthermal expansion measurements, which can be explained by the change of the atomic binding energy, mismatch entropy togetherwith phase transformation. With the increase of x, the microhardness can be improved, but the corrosion resistance decreases; inaddition, the anodic peak current densities of polarization curves decrease, which are related closely with the solid solution degreeand dissolution of Ag, Ni and Zn alloying elements in Cl^- -containing solution.

Thermal expansion of kyanite at ambient pressure:An X-ray powder diffraction study up to 1000℃

The thermal expansion coefficients of kyanite at ambient pressure have been investigated by an X-ray powder diffraction technique with temperatures up to 1000 ℃. No phase transition was observed in the experimental temperature range. Data for the unit-cell parameters and temperatures were fitted empirically resulting in the following thermal expansion coefficients： αa = 5.8（3） × 10^-5, αb = 5.8 （1）× 10^-5, αc = 5.2（1）× 10^-5, and αv = 7.4（1） × 10^-3 ℃ 1 in good agreement with a recent neutron powder diffraction study. On the other hand, the variation of the unit-cell angles α, β and γ of kyanite with increase in temperature is very complicated, and the agreement among all studies is poor. The thermal expansion data at ambient pressure reported here and the compression data at ambient temperature from the literature suggest that, for the kyanite lattice, the most and least thermally expandable directions correspond to the most and least compressible directions, respectively.

Interface and thermal expansion of carbon fiber reinforced aluminum matrix composites

Two kinds of unidirectional PAN M40 carbon fiber （55%, volume fraction） reinforced 6061Al and 5A06Al composites were fabricated by the squeeze-casting technology and their interface structure and thermal expansion properties were investigated. Results showed that the combination between aluminum alloy and fibers was well in two composites and interface reaction in M40/5A06Al composite was weaker than that in M40/6061Al composite. Coefficients of thermal expansion （CTE） of M40/Al composites varied approximately from （1.45-2.68）×10^-6 K^-1 to （0.35-1.44）×10^-6 K^-1 between 20℃ and 450℃, and decreased slowly with the increase of temperature. In addition, the CTE of M40/6061Al composite was lower than that of M40/SA06Al composite. It was observed that fibers were protruded significantly from the matrix after thermal expansion, which demonstrated the existence of interface sliding between fiber and matrix during the thermal expansion. It was believed that weak interracial reaction resulted in a higher CTE. It was found that the experimental CTEs were closer to the predicted values by Schapery model.

DEVELOPMENT OF INCONEL~ ALLOY 783，A LOW THERMAL EXPANSION，CRACK GROWTH RESISTANT SUPERALLOY

Low thermal expansion superalloys have been used for a number of years in a variety of applications, including gas turbine engines. The low thermal expansion characteristics of the most widely used class of materials are derived from the ferromagnetic characteristics of Ni, Fe, and Co-based austenitic matrices containing little or no Cr.Alloy developments have been aimed at improving the oxidation resistance and stress accelerated grain boundary oxygen (SAGBO) attack.INCONEL alloy 783 is an oxidation resistant, low coefficient of thermal expansion superalloy developed for gas turbine applications. Alloy 783 represents a culmination in the development, of an alloy system with very high alumtnum content that, in addition to forming γ′,causes βaluminide phase precipitation in the austenitic matrix.This type of structure can be processed to resist both SAGBO and general oxidation,while providing low thermal expansion and useful mechanical properties up to 700℃.Key aspects of the alloy's development are presented.

A novel implementation algorithm of asymptotic homogenization for predicting the effective coefficient of thermal expansion of periodic composite materials

Asymptotic homogenization (AH) is a general method for predicting the effective coefficient of thermal expansion (CTE) of periodic composites. It has a rigorous mathematical foundation and can give an accurate solution if the macrostructure is large enough to comprise an infinite number of unit cells. In this paper, a novel implementation algorithm of asymptotic homogenization (NIAH) is developed to calculate the effective CTE of periodic composite materials. Compared with the previous implementation of AH, there are two obvious advantages. One is its implementation as simple as representative volume element (RVE). The new algorithm can be executed easily using commercial finite element analysis (FEA) software as a black box. The detailed process of the new implementation of AH has been provided. The other is that NIAH can simultaneously use more than one element type to discretize a unit cell, which can save much computational cost in predicting the CTE of a complex structure. Several examples are carried out to demonstrate the effectiveness of the new implementation. This work is expected to greatly promote the widespread use of AH in predicting the CTE of periodic composite materials.

A new design of dual-constituent triangular lattice metamaterial with unbounded thermal expansion

Triangular lattice metamaterials composed of bi-layer curved rib elements (called the Lehman-Lakes lattice) possess unbounded thermal expansion, high stiffness and impossibility of thermal buckling, which are highly desirable in many engineering structural applications subjected to large fluctuations in temperature. However, the requirement of such lattice metamaterial is that it must be a hinged joint in order to achieve the bending deformation upon heating freely, which directly leads to poor manufacturability, especially in small dimensions. In this study, a new design of dual-constituent triangular lattice metamaterial (DTLM) with good manufacturability is proposed to achieve the identical unbounded thermal expansion. In this lattice, a special bi-layer curved rib element where layer one is partially covered by layer two is presented, where the hinge joints are not necessary because the flexural rigidity in the single-layer part is much smaller than that in the bi-layer part, and the desirable thermal bending deformation can be achieved. A sample fabricated by additive manufacturing is given in order to show the good manufacturability;simultaneously, the multifunctional performance of the tailored DTLM with zero, large positive or negative coefficient of thermal expansion (CTE) can remain excellent, as well as the Lehman-Lakes lattice. Examples illustrate that the DTLM with zero CTE has about 34.2% improvement in stiffness and meanwhile has 17% reduction in weight compared with the Lehman-Lakes lattice. The stiffness of the DTLM has a moderate reduction when achieving the same large positive or negative CTE. In addition, the thermomechanical properties of the DTLM are given by the closed-form analytical solution and their effectiveness is verified by the detailed numerical simulation.