Significantly enhanced thermal stability of HMX by phase-transition lysozyme coating

A new robust bio-inspired route by using lysozyme aqueous solution for surface modification on 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)was described in this paper.HMX crystals were coated by in situ phase transition of lysozyme(PTL)molecules.The HMX decorated by PTL was characterized by SEM,XRD,FTIR and XPS,demonstrating a dense core-shell coating layer.The coverage of lysozyme on HMX crystal was calculated by the ratio of sulfur content.The surface coverage increased from 60.5% to 93.5% when the content of PTL was changed from 0.5 wt% to 2.0 wt%,indicating efficient coating.The thermal stability of HMX was investigated by in situ XRD and DSC.The thermal phase transition temperature of HMX(β to δ phase)was delayed by 42℃ with 2.0 wt% PTL coating,which prevented HMX from thermal damage and sensitivity by the effect of PTL coating.After heating at 215℃,large cracks appeared in the naked HMX crystal,while the PTL coated HMX still maintained intact,with the impact energy of HMX dropped dramatically from 5 J to 2 J.However,the impact energy of HMX with 1.0 wt% and 2.0 wt% coating content(HMX@PTL-1.0 and HMX@PTL-2.0)was unchanged(5 J).Present results potentially enable large-scale fabrication of polymorphic energetic materials with outstanding thermal stability by novel lysozyme coating.

Heterogeneous information phase space reconstruction and stability prediction of filling body–surrounding rock combination

Traditional research believes that the filling body can effectively control stress concentration while ignoring the problems of unknown stability and the complex and changeable stress distribution of the filling body–surrounding rock combination under high-stress conditions.Current monitoring data processing methods cannot fully consider the complexity of monitoring objects,the diversity of monitoring methods,and the dynamics of monitoring data.To solve this problem,this paper proposes a phase space reconstruction and stability prediction method to process heterogeneous information of backfill–surrounding rock combinations.The three-dimensional monitoring system of a large-area filling body–surrounding rock combination in Longshou Mine was constructed by using drilling stress,multipoint displacement meter,and inclinometer.Varied information,such as the stress and displacement of the filling body–surrounding rock combination,was continuously obtained.Combined with the average mutual information method and the false nearest neighbor point method,the phase space of the heterogeneous information of the filling body–surrounding rock combination was then constructed.In this paper,the distance between the phase point and its nearest point was used as the index evaluation distance to evaluate the stability of the filling body–surrounding rock combination.The evaluated distances(ED)revealed a high sensitivity to the stability of the filling body–surrounding rock combination.The new method was then applied to calculate the time series of historically ED for 12 measuring points located at Longshou Mine.The moments of mutation in these time series were at least 3 months ahead of the roadway return dates.In the ED prediction experiments,the autoregressive integrated moving average model showed a higher prediction accuracy than the deep learning models(long short-term memory and Transformer).Furthermore,the root-mean-square error distribution of the prediction results peaked at 0.26,thus outperforming the no-prediction method in 70%of the cases.

Optimal parameter space for stabilizing the ferroelectric phase of Hf_(0.5)Zr_(0.5)O_(2) thin films under strain and electric fields

Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions, which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices. Here, we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions. Three mechanisms were found to be capable of lowering the relative energy of the O-phase, namely, more significant surface-bulk portion of(111) surfaces, compressive c-axis strain,and positive electric fields. Considering these mechanisms, we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial, respectively. These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm, ascribed to its lower surface energies. All these results shed considerable light on designing more robust and higher-performance ferroelectric devices.

Improving the operational stability of perovskite solar cells with cesium-doped graphene oxide interlayer

Perovskite solar cells(PSCs)have made great advances in terms of power conversion efficiency(PCE),yet their subpar stability continues to hinder their commercialization.The interface between the perovskite layer and the charge-carrier transporting layers plays a crucial role in undermining the stability of PSCs.In this work,we propose a strategy to stabilize high-performance PSCs with PCE over 23%by introducing a cesium-doped graphene oxide(GO-Cs)as an interlayer between the perovskite and hole-transporting material.The GO-Cs treated PSCs exhibit excellent operational stability with a projected T80(the time where the device PCE reduces to 80%of its initial value)of 2143 h of operation at the maximum powering point under one sun illumination.

Enhanced stability of FA-based perovskite:Rare-earth metal compound EuBr_(2) doping

It is highly desirable to enhance the long-term stability of perovskite solar cells(PSCs)so that this class of photovoltaic cells can be effectively used for the commercialization purposes.In this contribution,attempts have been made to use the two-step sequential method to dope EuBr_(2)into FAMAPbI_(3)perovskite to promote the stability.It is shown that the device durability at 85℃in air with RH of 20%-40%is improved substantially,and simultaneously the champion device efficiency of 23.04%is achieved.The enhancement in stability is attributed to two points:(ⅰ)EuBr_(2)doping effectively inhibits the decomposition andα-δphase transition of perovskite under ambient environment,and(ⅱ)EuBr_(2)aggregates in the oxidized format of Eu(BrO_(3))_(3)at perovskite grain boundaries and surface,hampering humidity erosion and mitigates degradation through coordination with H_(2)O.

Retrospective Case Series on The Enduring Rotational Stability of The AcrySof IQ Toric Intraocular Lens in Cataract Patients Suffering from Myopia

Objective:To analyze the enduring rotational steadiness of AcrySof IQ Toric intraocular lens(IOL)in cataract patients suffering from myopia in a long-term study.Methods:A retrospective study was conducted on a case series involving 78 patients.A total of 120 eyes with an axial length(AL)ranging from 24-30 mm and corneal astigmatism≥1.50 D underwent implantation of AcrySof IQ Toric IOL guided by the version navigation system.The eyes were divided into two groups based on AL.Group A included 60 eyes with high myopia(AL≥26 mm),while Group B consisted of eyes with low to moderate myopia(24 mm≤AL<26 mm).Data on the preoperative AL were collected.Measurements were taken for residual astigmatism,the best corrected visual acuity(BCDVA),corneal astigmatism,and IOL rotation occurring between 24-and 48-months post-surgery.The percentage of eyes with an IOL rotation of under 5°and 10°was analyzed.Results:The mean length of follow-up times was recorded as 34.27±4.98,and the average rotation was 2.73±1.29°.Group A exhibited a slightly higher average rotation of 2.87±1.31°,compared to the rotation of 2.59±1.27°observed in Group B.At both the 24-36 month and 26-48 month post-operation marks,the degree of IOL rotation did not show a statistically significant difference between the two groups,with none of the patients experiencing a rotation exceeding 10°(P>0.05).The percentage of rotation degrees under 5°was recorded as 98.22%.After the procedure,the BCDVA was 0.1322±0.03 LogMAR.There was a substantial increase in theχvalue after the operation as compared to the pre-operativeχ^(2) value(χ^(2)=76.79).The standard deviation of preoperative corneal astigmatism was statistically significant(P<0.05)at 2.17±1.08 D.Following the surgical procedure,the remaining astigmatism was measured at 0.41±0.26 D.The data showed a notable gap in statistical significance(t=4.281,P<0.05).Conclusion:The AcrySof Toric IOL was a reliable solution for managing corneal astigmatism in cataract patients with myopia,demonstrating excellent long-term rotational stability.

Application of an amphipathic molecule at the NiO_(x)/perovskite interface for improving the efficiency and long-term stability of the inverted perovskite solar cells

The presence of defects and detrimental reactions at NiO_(x)/perovskite interface extremely limit the efficiency performance and long-term stability of the perovskite solar cells(PSCs) based on NiO_(x).Herein,an amphipathic molecule Triton X100(Triton) is modified on the NiO_(x)surface.The hydrophilic chain of Triton as a Lewis base additive can coordinate with the Ni3+on the NiO_(x)surface which can passivate the interfacial defects and hinder the detrimental reactions at the NiO_(x)/perovskite interface.Additionally,the hydrophobic chain of Triton protrudes from the NiO_(x)surface to prevent moisture from penetrating into the NiO_(x)/perovskite interface.Consequently,the NiO_(x)/Triton-based devices(MAPbI3as absorbing layer) show superior moisture and thermal stability,retaining 88.4% and 64.3% of the initial power conversion efficiency after storage in air(40%-50% relative humidity(RH)) at 25 ℃ for 1070 h and in N2at 85℃ for 800 h,respectively.Moreover,the efficiency increases from 17.59% to 19.89% because of the passivation defect and enhanced hole-extraction capability.Besides,the NiO_(x)/Triton-based PSCs with Cs_(0.05)(MA_(0.15)FA_(0.85))_(0.95)Pb(I_(0.85)Br_(0.15))3perovskite as the light-absorbing layer also exhibits better moisture and thermal stability compared to the control devices,indicating the viability of our strategies.Of particular note,a champion PCE of 22.35% and 20.46% was achieved for small-area(0.1 cm^(2)) and large-area(1.2 cm^(2)) NiO_(x)/Triton-based devices,respectively.

Phase Stability and Reactions of Subducting CaCO_(3)under Upper Mantle Conditions

CaCO_(3)is an important component of marine sediments and one of the major deep-carbon carriers at subduction zones.Some subducted CaCO_(3)can be dissolved in subduction fluids and recycled back to the surface via arc volcanoes degassing.At the same time,there still remain large amounts of CaCO_(3)and its reaction products,which could be further transported into Earth's deep interior.These internal processes link atmosphere,hydrosphere and biosphere with the deep solid Earth,modifying the environments of our planet.In this review,we summarize current understanding from high pressure-temperature experiments and field petrological observations on the physical and chemical properties of CaCO_(3).In particular,the phase stability and reactions of CaCO_(3)largely control the migration and reservation of oxidized carbon in subducting slabs.Finally,we present several critical but unsolved questions on CaCO_(3)subducting in the deep mantle.

Non-Fullerene-Based Inverted Organic Photovoltaic Device with Long-Term Stability

In this work,we developed the PM6:Y6-based inverted structure organic photovoltaic(i-OPV)with improved power conversion efficiency(PCE)and long-term stability by resolving the origins of the performance deterioration.The deep defects between the metal oxide-based electron transport layer and bulk-heterojunction photoactive layer interface were responsible for suboptimal PCE and facilitated degradation of devices.While the density of deep traps is increased during the storage of i-OPV,the penetrative oxygen-containing defects additionally generated shallow traps below the band-edge of Y6,causing an additional loss in the open-circuit voltage.The suppression of interfacial defects by chemical modification effectively improved the PCE and long-term stability of i-OPV.The modified i-OPV(mi-OPV)achieved a PCE of 17.42%,which is the highest value among the reported PM6:Y6-based i-OPV devices.Moreover,long-term stability was significantly improved:~90%and~80%retention of its initial PCE after 1200 h of air storage and illumination,respectively.

Could Long-Term Stability Last Forever?

The subject of the present paper is to prove that the recently introduced conjecture of boundedness puts a ban over the view of stability as asymptotic property. This result comes in sharp contrast with the prescription of the traditional thermodynamics and statistical physics which consider the existence of equilibrium as asymptotic property of all systems. The difference commences from the use of infinitesimal calculus as the basic implement for modelling by the latter while the primary premise of the conjecture of boundedness is sustaining the energy/matter/information permanently bounded and finite. The latter property overrules the infinitesimal calculus as the major implement of modelling because, among all, it is proven that the traditional one suffers unsoluble difficulties.

First-principles study of phase stability and electronic properties of RhZr

First-principles calculations were carried out to investigate the structural stabilities and electronic properties of RhZr.The plane wave based pseudopotential method was used,in which both the local density approximation（LDA） and the generalized gradient approximation（GGA） implanted in the CASTEP code were employed.The internal positions of atoms in the unit cell were optimized and the ground state properties such as lattice parameter,density of state,cohesive energies and enthalpies of formation of ortho-RhZr and cubic-RhZr were calculated.The calculation results indicate that ortho-RhZr can form more easily than cubic-RhZr and the ortho-RhZr is more stable than cubic-RhZr.The density of states（DOS） reveals that the strong bonding in the Rh-Zr and Rh-Rh or Zr-Zr interaction chains accounts for the structural stability of ortho-RhZr and the hybridization between Rh-4d states and Zr-4d states is strong.

Enhancing the stability of planar perovskite solar cells by green and inexpensive cellulose acetate butyrate

Although the efficiency of organic–inorganic hybrid halide perovskite solar cells has been improved rapidly, the intrinsic instability of perovskite materials restricts their commercial application. Here, an eco-friendly and low-cost organic polymer, cellulose acetate butyrate(CAB), was introduced to the grain boundaries and surfaces of perovskite, resulting in a high-quality and low-defect perovskite film with a nearly tenfold improvement in carrier lifetime. More importantly, the CAB-treated perovskite films have a well-matched energy level with the charge transport layers, thus suppressing carrier nonradiative recombination and carrier accumulation. As a result, the optimized CAB-based device achieved a champion efficiency of 21.5% compared to the control device(18.2%). Since the ester group in CAB bonds with Pb in perovskite, and the H and O in the hydroxyl group bond with the I and organic cations in perovskite,respectively, it will contribute to superior stability under heat, high humidity, and light soaking conditions. After aging under 35% humidity(relative humidity, RH) for 3300 h, the optimized device can still maintain more than 90% of the initial efficiency;it can also retain more than 90% of the initial efficiency after aging at 65 ℃, 65% RH, or light(AM 1.5G) for 500 h. This simple optimization strategy for perovskite stability could facilitate the commercial application of perovskite solar cells.

Experimental study on thermal and mechanical properties of tailings-based cemented paste backfill with CaCl_(2)·6H_(2)O/expanded vermiculite shape stabilized phase change materials

CaCl_(2)·6H_(2)O/expanded vermiculite shape stabilized phase change materials(CEV)was prepared by atmospheric impregnation method.Using gold mine tailings as aggregate of cemented paste backfill(CPB)material,the CPB with CEV added was prepared,and the specific heat capacity,thermal conductivity,and uniaxial compressive strength(UCS)of CPB with different cement-tailing ratios and CEV addition ratios were tested,the influence of the above variables on the thermal and mechanical properties of CPB was analyzed.The results show that the maximum encapsulation capacity of expanded vermiculite for CaCl_(2)·6H_(2)O is about 60%,and the melting and solidification enthalpies of CEV can reach 98.87 J/g and 97.56 J/g,respectively.For the CPB without CEV,the specific heat capacity,thermal conductivity,and UCS decrease with the decrease of cement-tailing ratio.For the CPB with CEV added,with the increase of CEV addition ratio,the specific heat capacity increases significantly,and the sensible heat storage capacity and latent heat storage capacity can be increased by at least 10.74%and 218.97%respectively after adding 12%CEV.However,the addition of CEV leads to the increase of pores,and the thermal conductivity and UCS both decrease with the increase of CEV addition.When cement-tailing ratio is 1:8 and 6%,9%,and 12%of CEV are added,the 28-days UCS of CPB is less than 1 MPa.Considering the heat storage capacity and cost price of backfill,the recommended proportion scheme of CPB material presents cement-tailing ratio of 1:6 and 12%CEV,and the most recommended heat storage/release temperature cycle range of CPB with added CEV is from 20 to 40℃.This work can provide theoretical basis for the utilization of heat storage backfill in green mines.

Wheat Grain Yield and Yield Stability in a Long-Term Fertilization Experiment on the Loess Plateau

To provide a scientific basis for sustainable land management, a 20-year fertility experiment was conducted in Changwu County, Shaanxi Province, China to investigate the effects of long-term application of chemical fertilizers on wheat grain yield and yield stability on the Loess Plateau using regression and stability analysis. The experiment consisted of 17 fertilizer treatments, containing the combinations of different N and P levels, with three replications arranged in a randomized complete block design. Nitrogen fertilizer was applied as urea, and P was applied as calcium superphosphate. Fertilizer rates had a large effect on the response of wheat yield to fertilization. Phosphorus, combined with N, increased yield significantly （P 〈 0.01）. In the unfertilized control and the N or P sole application treatments, wheat yield had a declining trend although it was not statistically significant. Stability analysis combined with the trend analysis indicated that integrated use of fertilizer N and P was better than their sole application in increasing and sustaining the productivity of rainfed winter wheat.

Effects of Ru on the microstructure and phase stability of a single crystal superalloy

Two experimental single crystal superalloys, the Ru-free alloy and the Ru-containing alloy with [001 ] orientation, were cast in a directionally solidified furnace, while other alloying element contents were kept unchanged. The effects of Ru on the microstructure and phase stability of the single crystal superalloy were investigated, y＇ directional coarsening and rafting were observed in the Ru-free alloy and Ru-containing alloy after long-term aging at 1070~C for 800 h. Needle-shaped o topologically close packed （TCP） phases precipitated and grew along the fixed direction in both the alloys. The precipitating rate and volume fraction of TCP phases decreased significantly by adding Ru. The compositions ofy and y＇ phases measured using an energy-dispersive X-ray spectroscope （EDS） in transmission electron microscopy （TEM） analysis showed that the addition of Ru lessened the partition ratio of TCP forming elements, Re, W and Mo, and decreased the satu- ration degrees of these elements in y phase, which can enable the Ru-containing alloy to be more resistant to the formation of TCP phases. It is indicated that the addition of Ru to the Ni-based single crystal superalloy with high content of the refractory alloying element can enhance phase stability.

Influence of MgO/MgCl_2 Molar Ratio on Phase Stability of Magnesium Oxychloride Cement

Formation, solution and phase change of hydration products in MgO-MgCl2-H2O system was studied with thermodynamics method, and resistance to water immersion and phase change of magnesium oxychloride cement with different MgO/MgCl2 molar ratio was experimented. The results show that pH value of immersion solution of cement paste has a remarkable influence on phase stability of hydration products. A higher pH value leads to a lower solubility and a better phase stability of hydration products. When the solution pH value is higher than 10.37, the precipitation of much Mg（OH）2 crystal induces a worse phase stability of hydration products. With the increasing MgO/MgCl2 molar ratio （lower than 6）, the more amount of MgO in the hydration products enhances the alkalinity of solution and the phase stability is improved. However, when the MgO/MgCl2 molar ratio is higher than 6 and the excessive MgO exsits in the hydration products, the cement paste may be damaged by the excessive crystallization stress of a great deal of Mg（OH）2 formation.

Effect of Ce on the thermal stability of the Ω phase in an Al-Cu-Mg-Ag alloy

This paper studies the effect of Ce on the thermal stability of the Ω phase in an Al-Cu-Mg-Ag alloy by TEM and tensile testing. It has been shown that Ce substantially increases the nucleation density of the Ω phase by acting as the heterogeneous nucleation center. Most impor-tantly,Ce improves the thermal stability of the Ω phase by decreasing the diffusion velocity of Cu atoms and increasing the energy barrier of the thickening ledge nucleation,thus improving the strength of the Al-Cu-Mg-Ag alloy at both ...

First Principles Investigation of Electronic Property and High Pressure Phase Stability of SrnN

An investigation of electronic property and high pressure phase stability of SmN has been conducted using first principles calculations based on density functional theory. The elec- tronic properties of Stun show a striking feature of a half metal, the majority-spin electrons are metallic and the minority-spin electrons are semiconducting. It was found that Stun undergoes a pressure-induced phase transition from NaCl-type （B1） to CsCl-type structure （B2） at 117 GPa. The elastic constants of Stun satisfy Born conditions at ambient pressure, indicating that B1 phase of SmN is mechanically stable at 0 GPa. The result of phonon spectra shows that B1 structure is dynamically stable at ambient pressure, which agrees with the conclusion derived from the elastic constants.

Long-term inorganic plus organic fertilization increases yield and yield stability of winter wheat

An understanding of wheat yield and yield stability response to fertilization is important for sustainable wheat production. A 36-year long-term fertilization experiment was employed to evaluate the yield and yield stability of winter wheat. Five fertilization regimes were compared,including(1) CK, no fertilizer;(2) NPK, inorganic fertilizer only;(3) O, organic fertilizer only;(4)NPKO, 50% of NPK plus 50% of O, and(5) HNPKO, 80% of NPK plus 80% of O. The greatest yield increase was recorded in HNPKO, followed by NPKO, with O producing the lowest mean yield increase. Over the 36 years, the rate of wheat yield increase in fertilized plots ranged from95.31 kg ha-1 year-1 in the HNPKO to 138.65 kg ha-1 year-1 in the O. Yield stability analysis using the additive main effects and multiplicative interactions(AMMI) method assigned 62.3%, 26.3%,and 11.4% of sums of squares to fertilization effect, environmental effect, and fertilization ×environment interaction effect, respectively. The combination of inorganic and organic fertilization(NPKO and HNPKO) appeared to produce more stable yields than O or NPK, with lower coefficients of variation and AMMI stability value. However, wheat grown with O seemed to be the most susceptible to climate change and the least productive among the fertilized plots.Significant correlations of grain yield with soil properties and with mean air temperature were observed. These findings suggest that inorganic + organic fertilizer can increase wheat yield and its stability by improvement in soil fertility and reduction in variability to climate change.

Phase stability,elastic properties and electronic structures of Mg-Y intermetallics from first-principles calculations

The phase stability,elastic properties and electronic structures of three typical Mg-Y intermetallics including Mg_(24)Y_(5),Mg_(2)Y and MgY are systematically investigated using first-principles calculations based on density functional theory.The optimized structural parameters including lattice constants and atomic coordinates are in good agreement with experimental values.The calculated cohesive energies and formation enthalpies show that either phase stability or alloying ability of the three intermetallics is gradually enhanced with increasing Y content.The single-crystal elastic constants C_(ij) of Mg-Y intermetallics are also calculated,and the bulk modulus B,shear modulus G,Young's modulus E,Poisson ratio v and anisotropy factor A of polycrystalline materials are derived.It is suggested that the resistances to volume and shear deformation as well as the stiffness of the three intermetallics are raised with increasing Y content.Besides,these intermetallics all exhibit ductile characteristics,and they are isotropic in compression but anisotropic to a certain degree in shear and stiffness.Comparatively,Mg_(24)Y_(5) presents a relatively higher ductility,while MgY has a relatively stronger anisotropy in shear and stiffness.Further analysis of electronic structures indicates that the phase stability of Mg-Y intermetallics is closely related with their bonding electrons numbers below Fermi level.Namely,the more bonding electrons number below Fermi level corresponds to the higher structural stability of Mg-Y intermetallics.