Modeling the Interaction between Vacancies and Grain Boundaries during Ductile Fracture

The experimental results in previous studies have indicated that during the ductile fracture of pure metals,vacancies aggregate and form voids at grain boundaries.However,the physical mechanism underlying this phenomenon remains not fully understood.This study derives the equilibrium distribution of vacancies analytically by following thermodynamics and the micromechanics of crystal defects.This derivation suggests that vacancies cluster in regions under hydrostatic compression to minimize the elastic strain energy.Subsequently,a finite element model is developed for examining more general scenarios of interaction between vacancies and grain boundaries.This model is first verified and validated through comparison with some available analytical solutions,demonstrating consistency between finite element simulation results and analytical solutions within a specified numerical accuracy.A systematic numerical study is then conducted to investigate the mechanism that might govern the micromechanical interaction between grain boundaries and the profuse vacancies typically generated during plastic deformation.The simulation results indicate that the reduction in total elastic strain energy can indeed drive vacancies toward grain boundaries,potentially facilitating void nucleation in ductile fracture.

Deformation characteristics of granitic rocks in Erguna ductile shear zone,NE China

The Erguna ductile shear zone is situated in the Erguna Massif,which has been exposed along the eastern bank of the Erguna River in northeastern China.The authors present comprehensive study results on the macro-and micro-structures,finite strain and kinematic vorticity,quartz electron backscatter diffraction(EBSD)fabrics,and geochronology of granitic rocks in the Erguna ductile shear zone.The deformed granitic rocks have experienced significant SE-trending dextral strike-slip shearing.Finite strain and kinematic vorticity in all deformed granitic rocks indicate that the deformation is characterized by simple sheardominated general shearing with S-L tectonites.Mineral deformation behaviors and quartz C-axis textures demonstrate that the deformed granitic rocks developed under greenschist to amphibolite facies conditions at deformation temperatures ranging from 450 to 550℃.New LA-ICP-MS zircon U-Pb ages indicate that these granitic rocks were formed in Early Triassic(~248.6 Ma)and Early Cretaceous(~136.7 Ma).All the evidence indicates that this deformation may have occurred in Early Cretaceous and was related to the compression resulting from the final closure of the Mongol-Okhotsk Ocean.

Tailoring Carbon Distribution inα/γPhase of Ductile Iron and Its Effects on Thermal Conductivity

The effects of carbon distribution on the microstructure and thermal conductivity of ductile iron were investigated in the present study.The microstructure of as-cast and quenched ductile iron were characterized by OM and SEM.Results showed that the microstructure of as-cast ductile iron was composed of spheroidal graphite,ferrite with the volume of 80%,and a small amount of pearlite,and quenched ductile iron was composed of spheroidal graphite,coarse/fine acicular martensite(α_(M)phase)and high-carbon retained austenite(γphase).The volume fraction of retained austensite and its carbon content for direct quenched ductile iron and tepmered ductile iron were quantitatively analysed by XRD.Results revealed that carbon atoms diffused fromα_(M)phase toγphase during tempering at low temperatures,which resulted in carbon content in retainedγphase increasing from 1.2 wt%for the direct quenched sample to about 1.9 wt%for the tempered samples.Consequently,the lattice distortion was significantly reduced and gave rise to an increase of thermal conductivity for ductile iron.

基于CTA颅内动脉瘤形态联合PHASES评分对破裂出血预测研究

目的:分析头颈部计算机断层扫描血管成像(CTA)联合PHASES评分对颅内动脉瘤(IA)破裂出血的预测价值。方法:回顾性分析2021年10月—2023年9月东莞市长安医院诊治的IA患者临床资料,根据IA破裂出血与否分为IA破裂组(n=46)和IA未破裂组(n=44),收集两组临床资料,对比两组患者CTA影像瘤体特征参数和PHASES评分结果。采用受试者工作特征(ROC)曲线分析两者联合预测动脉瘤破裂的效能。结果:IA破裂组高血压、糖尿病发生率及PHASES评分均高于IA未破裂组,差异有统计学意义(P <0.05)。两组病灶位置以颈内动脉(ICA)和大脑中动脉(MCA)为主,但IA破裂组病灶位置在MCA的占比为41.30%,高于IA未破裂组的20.45%,瘤体>7 mm的最多(瘤体7~9.9 mm占65.22%),瘤体形态不规则占58.7%,未破裂组病灶位置在ICA最多(68.18%),瘤体<7 mm的居多(75.00%),瘤体形态规则囊状动脉瘤占93.18%,差异有统计学意义(P <0.05)。CTA瘤体特征参数比较,IA破裂组患者瘤颈宽度、瘤体高度、瘤体长度、动脉瘤最大直径、入射夹角、动脉瘤体颈比等参数均高于IA未破裂组,差异有统计学意义(P <0.05)。CTA瘤体特征参数+PHASES评分联合预测曲线下面积为0.916,高于CTA瘤体特征参数(0.901)和PHASES评分(0.731)。结论:CTA瘤体特征参数+PHASES评分联合预测IA患者破裂出血效能最佳。

Achieving high strength-ductility synergy in a Mg_(97)Y_(1)Zn_(1)Ho_(1) alloy via a nano-spaced long-period stacking-ordered phase

Achieving high strength in Mg alloys is usually accompanied by ductility loss.Here,a novel Mg97Y1Zn1Ho1 at.%alloy with a yield strength of 403 MPa and an elongation of 10%is developed.The strength-ductility synergy is obtained by a comprehensive strategy,including a lamella bimodal microstructure design and the introduction of nano-spaced solute-segregated 14H long-period stacking-ordered phase(14H LPSO phase)through rare-earth Ho alloying.The lamella bimodal microstructure consists of elongated un-recrystallized(un-DRXed)coarse grains and fine dynamically-recrystallized grains(DRXed regions).The nano-spaced solute-segregated 14H LPSO phase is distributed in DRXed regions.The outstanding yield strength is mainly contributed by grain-boundary strengthening,18R LPSO strengthening,and fiberlike reinforcement strengthening from the nano-spaced 14H LPSO phase.The high elongation is due primarily to the combined effects of the bimodal and lamellar microstructures through enhancing the work-hardening capability.

Phase-engineering modulation of Mn-based oxide cathode for constructing super-stable sodium storage

The Mn-based oxide cathode with enriched crystal phase structure and component diversity can provide the excellent chemistry structure for Na-ion batteries.Nevertheless,the broad application prospect is obstructed by the sluggish Na^(+)kinetics and the phase transitions upon cycling.Herein,we establish the thermodynamically stable phase diagram of various Mn-based oxide composites precisely controlled by sodium content tailoring strategy coupling with co-doping and solid-state reaction.The chemical environment of the P2/P'3 and P2/P3 biphasic composites indicate that the charge compensation mechanism stems from the cooperative contribution of anions and cations.Benefiting from the no phase transition to scavenge the structure strain,P2/P'3 electrode can deliver long cycling stability(capacity retention of 73.8%after 1000 cycles at 10 C)and outstanding rate properties(the discharge capacity of 84.08 mA h g^(-1)at 20 C)than P2/P3 electrode.Furthermore,the DFT calculation demonstrates that the introducing novel P'3 phase can significantly regulate the Na^(+)reaction dynamics and modify the local electron configuration of Mn.The effective phase engineering can provide a reference for designing other high-performance electrode materials for Na-ion batteries.

Is Mg_(17)Al_(12) ductile or brittle?A theoretical insight

The Mg_(17)Al_(12)-phase,which is common and important in Mg-Al alloy,has long been regarded as a brittle phase in experiments but theoretical calculations report controversial results.To unravel why theoretical calculations report controversial results and determine whether Mg_(17)Al_(12)is brittle or ductile,density functional theory calculations on atomic level are performed to investigate mechanic properties of Mg_(17)Al_(12)without containing alloying elements and without taking the size effect.The results showed that the parameter k-point played critical role in the DFT-based elastic calculations.The convergent G/B ratio of Mg_(17)Al_(12)was about 0.52,suggesting that the Mg_(17)Al_(12)-phase was theoretically ductile although its ductility was poor.The chemical bonding in Mg_(17)Al_(12)was the mixture of metallic Mg-Mg bond and covalent Al-Al bond.The advantage of metallic bonding over covalent bonding provided a possible explanation for the ductility of Mg_(17)Al_(12).Possible reasons for the brittleness of Mg_(17)Al_(12)in experiments are also discussed.

A Bidimensional Finite Element Study of Crack Propagation in Austempered Ductile Iron

Austempered ductile iron(ADI)is composed of an ausferritic matrix with graphite nodules and has a wide range of applications because of its high mechanical strength,fatigue resistance,and wear resistance compared to other cast irons.The amount and size of the nodules can be controlled by the chemical composition and austenitizing temperature.As the nodules have lower stiffness than the matrix and can act as stress concentrators,they influence crack propagation.However,the crack propagation mechanism in ADI is not yet fully understood.In this study,we describe a numerical investigation of crack propagation in ADIs subjected to cyclic loading.The numerical model used to calculate the stress intensity factors in the material under the given conditions is built with the aid of Abaqus commercial finite element code.The crack propagation routine,which is based on the Paris law,is implemented in Python.The results of the simulation show that the presence of a nodule generates a shear load on the crack tip.Consequently,even under uniaxial tensile loading,the presence of the nodule yields a non-zero stress intensity factor in mode II,resulting in a deviation in the crack propagation path.This is the primary factor responsible for changing the crack propagation direction towards the nodule.Modifying the parameters,for example,increasing the nodule size or decreasing the distance between the nodule and crack tip,can intensify this effect.In simulations comparing two different ADIs with the same graphite fraction area,the crack in the material with more nodules reaches another nodule in a shorter propagation time(or shorter number of cycles).This suggests that the high fatigue resistance observed in ADIs may be correlated with the number of nodules intercepted by a crack and the additional energy required to nucleate new cracks.In summary,these findings contribute to a better understanding of crack propagation in ADIs,provide insights into the relationship between the presence of nodules and the fatigue resistance of these materials,and support studies that associate the increased fatigue resistance with a higher number of graphite nodules.These results can also help justify the enhanced fatigue resistance of ADIs when compared to other cast irons.

Shikimic acid accelerates phase change and flowering in Chinese jujube

The juvenile-to-adult phase change with first flowering as the indicator plays a crucial role in the lifecycle of fruit trees. However, the molecular mechanisms underlying phase change in fruit trees remain largely unknown. Shikimic acid (ShA) pathway is a main metabolic pathway closely related to the synthesis of hormones and many important secondary metabolites participating in plant phase change. So,whether ShA regulates phase change in plants is worth clarifying. Here, the distinct morphological characteristics and the underlying mechanisms of phase change in jujube (Ziziphus jujuba Mill.), an important fruit tree native to China with nutritious fruit and outstanding tolerance abiotic stresses, were clarified. A combined transcriptome and metabolome analysis found that ShA is positively involved in jujube(Yuhong’×Xing 16’) phase change. The genes in the upstream of ShA synthesis pathway (ZjDAHPS, ZjDHQS and ZjSDH), the contents of ShA and the downstream secondary metabolites like phenols were significantly upregulated in the phase change period. Further, the treatment of spraying exogenous ShA verified that ShA at a very low concentration (60 mg·L^(-1)) can substantially speed up the phase change and flowering of jujube and other tested plants including Arabidopsis, tomato and wheat. The exogenous ShA (60 mg·L^(-1)) treatment in jujube seedlings could increase the accumulation of endogenous ShA, enhance leaf photosynthesis and the synthesis of phenols especially flavonoids and phenolic acids, and promote the expression of genes (ZjCOs, ZjNFYs and ZjPHYs) involved in flowering pathway. Basing on above results, we put forward a propose for the underlying mechanism of ShA regulating phase change, and a hypothesis that ShA could be considered a phytohormone-like substance because it is endogenous, ubiquitous, movable and highly efficient at very low concentrations. This study highlights the critical role of ShA in plant phase change and its phytohormone-like properties.

Microstructure and damping properties of LPSO phase dominant Mg-Ni-Y and Mg-Zn-Ni-Y alloys

This work studied the microstructure,mechanical properties and damping properties of Mg_(95.34)Ni_(2)Y_(2.66) and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys systematically.The difference in the evolution of the long-period stacked ordered(LPSO)phase in the two alloys during heat treatment was the focus.The morphology of the as-cast Mg_(95.34)Ni_(2)Y_(2.66)presented a disordered network.After heat treatment at 773 K for 2 hours,the eutectic phase was integrated into the matrix,and the LPSO phase maintained the 18R structure.As Zn partially replaced Ni,the crystal grains became rounded in the cast alloy,and lamellar LPSO phases and more solid solution atoms were contained in the matrix after heat treatment of the Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloy.Both Zn and the heat treatment had a significant effect on damping.Obvious dislocation internal friction peaks and grain boundary internal friction peaks were found after temperature-dependent damping of the Mg_(95.34)Ni_(2)Y_(2.66)and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys.After heat treatment,the dislocation peak was significantly increased,especially in the alloy Mg_(95.34)Ni_(2)Y_(2).66.The annealed Mg_(95.34)Ni_(2)Y_(2.66)alloy with a rod-shaped LPSO phase exhibited a good damping performance of 0.14 atε=10^(−3),which was due to the difference between the second phase and solid solution atom content.These factors also affected the dynamic modulus of the alloy.The results of this study will help in further development of high-damping magnesium alloys.

Heat transfer enhanced inorganic phase change material compositing carbon nanotubes for battery thermal management and thermal runaway propagation mitigation

Developing technologies that can be applied simultaneously in battery thermal management(BTM)and thermal runaway(TR)mitigation is significant to improving the safety of lithium-ion battery systems.Inorganic phase change material(PCM)with nonflammability has the potential to achieve this dual function.This study proposed an encapsulated inorganic phase change material(EPCM)with a heat transfer enhancement for battery systems,where Na_(2)HPO_(4)·12H_(2)O was used as the core PCM encapsulated by silica and the additive of carbon nanotube(CNT)was applied to enhance the thermal conductivity.The microstructure and thermal properties of the EPCM/CNT were analyzed by a series of characterization tests.Two different incorporating methods of CNT were compared and the proper CNT adding amount was also studied.After preparation,the battery thermal management performance and TR propagation mitigation effects of EPCM/CNT were further investigated on the battery modules.The experimental results of thermal management tests showed that EPCM/CNT not only slowed down the temperature rising of the module but also improved the temperature uniformity during normal operation.The peak battery temperature decreased from 76℃to 61.2℃at 2 C discharge rate and the temperature difference was controlled below 3℃.Moreover,the results of TR propagation tests demonstrated that nonflammable EPCM/CNT with good heat absorption could work as a TR barrier,which exhibited effective mitigation on TR and TR propagation.The trigger time of three cells was successfully delayed by 129,474 and 551 s,respectively and the propagation intervals were greatly extended as well.

Achieving High Strength and Tensile Ductility in Pure Nickel by Cryorolling with Subsequent Low-Temperature Short-Time Annealing

Ultra fine-grained pure metals and their alloys have high strength and low ductility.In this study,cryorolling under different strains followed by low-temperature short-time annealing was used to fabricate pure nickel sheets combining high strength with good ductility.The results show that,for different cryorolling strains,the uniform elongation was greatly increased without sacrificing the strength after annealing.A yield strength of 607 MPa and a uniform elongation of 11.7%were obtained after annealing at a small cryorolling strain(ε=0.22),while annealing at a large cryorolling strain(ε=1.6)resulted in a yield strength of 990 MPa and a uniform elongation of 6.4%.X-ray diffraction(XRD),transmission electron microscopy(TEM),scanning electron microscopy(SEM),and electron backscattered diffraction(EBSD)were used to characterize the microstructure of the specimens and showed that the high strength could be attributed to strain hardening during cryorolling,with an additional contribution from grain refinement and the formation of dislocation walls.The high ductility could be attributed to annealing twins and micro-shear bands during stretching,which improved the strain hardening capacity.The results show that the synergistic effect of strength and ductility can be regulated through low-temperature short-time annealing with different cryorolling strains,which provides a new reference for the design of future thermo-mechanical processes.

In situ observation of the phase transformation kinetics of bismuth during shock release

A time-resolved x-ray diffraction technique is employed to monitor the structural transformation of laser-shocked bismuth.Results reveal a retarded transformation from the shock-induced Bi-Ⅴphase to a metastable Bi-Ⅳphase during the shock release,instead of the thermodynamically stable Bi-Ⅲphase.The emergence of the metastable Bi-Ⅳphase is understood by the competitive interplay between two transformation pathways towards the Bi-Ⅳand Bi-Ⅲ,respectively.The former is more rapid than the latter because the Bi-Ⅴto B-Ⅳtransformation is driven by interaction between the closest atoms while the Bi-Ⅴto B-Ⅲtransformation requires interaction between the second-closest atoms.The nucleation time for the Bi-Ⅴto Bi-Ⅳtransformation is determined to be 5.1±0.9 ns according to a classical nucleation model.This observation demonstrates the importance of the formation of the transient metastable phases,which can change the phase transformation pathway in a dynamic process.

The First Five Years of a Phase Theory for Complex Systems and Networks

In this paper,we review the development of a phase theory for systems and networks in its first five years,represented by a trilogy:Matrix phases and their properties;The MIMO LTI system phase response,its physical interpretations,the small phase theorem,and the sectored real lemma;The synchronization of a multi-agent network using phase alignment.Towards the end,we also summarize a list of ongoing research on the phase theory and speculate what will happen in the next five years.

Influence of Omega 3 Fatty Acid Supplementation on Phase Angle Values of People Living with HIV/AIDS with Lipodystrophy Secondary to Antiretroviral Therapy: A Randomized Clinical Trial

Objective: The measurement of phase angles is an important monitoring parameter and supplementation with omega-3 could promote benefits by modulating the electrical potential of membranes and increasing body cell mass. This study aimed to evaluate the effectiveness of omega-3 fatty acid supplementation on the phase angle of people living with HIV/AIDS. Methods: In this study, 63 individuals of all genders who were undergoing outpatient follow-up and showed lipodystrophy due to highly active antiretroviral therapy were analyzed. Our sample consisted of two groups, one that received supplementation containing 2550 mg of omega-3/day (1080 mg of eicosapentaenoic acid and 720 mg of docosahexaenoic acid) for three months (n = 32) and another that underwent nutrition guidance (n = 31). Phase angle and body cell mass were assessed for both groups and compared at the beginning of research (T0) and after our intervention (T1) for each group separately. Results: Phase angle averaged 6.45° ± 1.06 SD. The comparison between T0 and T1 showed a significant increase in phase angle and body cell mass, whereas the guidance group showed a decrease in body cell mass at T1 in relation to T0, with a significant p-value. Variance in phase angle between moments showed significant values between T0 and T1 in the supplementation group for all genders. Conclusion: Omega-3 positively modulated patients phase angle and body cell mass, but we emphasize the need for other studies that can solidify knowledge about supplementation dosage and intervention time.

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.

Theory and verification of moiréfringes for x-ray three-phase grating interferometer

Dual-phase and three-phase grating x-ray interference is a promising new technique for grating-based x-ray differential phase contrast imaging.Dual-phase grating interferometers have been relatively completely studied and discussed.In this paper,the corresponding imaging fringe formula of the three-phase grating interferometer is provided.At the same time,the similarities and differences between the three-phase grating interferometer and the dual-phase grating interferometer are investigated and verified,and that the three-phase grating interferometer can produce large-period moiréfringes without using the analyzing grating is demonstrated experimentally.Finally,a simple method of designing three-phase grating and multi-grating imaging systems from geometric optics based on the thin-lens theory of gratings is presented.These theoretical formulas and experimental results provide optimization tools for designing three-phase grating interferometer systems.

Microstructure of the Ductile Phase in Intermetallic Compound Ni_(50)Al_(20)Fe_(30)

The microstructure of the single hot extruded and annealed Ni50Al20Fe30Y0.003 intermetallic compound alloys has been examined by means of high resolution electron microscopy (HREM). In these extruded and annealed alloys. the ductile phase is of a mixture of the disordered fcc γ matrix and or dered γ' precipitates. This fact well interprets the reason why the degree of annealing treatment can influence the strength and ductility of these alloys. The HREM observation revealed directly that there was some strain concentration at γ'-γ interfaces, due to the presence of more iron atoms in these two phases. The fixed orientation relationship between the γ phase and γ' precipitates was identified to be {001}γ||{00 }γ' and <100 >γ|| < 100 > γ'

In-Situ Atomic-Scale Observation of Brownmillerite to Ruddlesden-Popper Phase Transition Tuned by Epitaxial Strain in Cobaltites

Phase transitions involving oxygen ion extraction within the framework of the crystallographic relevance have been widely exploited for sake of superconductivity,ferromagnetism,and ion conductivity in perovskiterelated oxides.However,atomic-scale pathways of phase transitions and ion extraction threshold are inadequately understood.Here we investigate the atomic structure evolution of LaCoO_(3) films upon oxygen extraction and subsequent Co migration,focusing on the key role of epitaxial strain.The brownmillerite to Ruddlesden-Popper phase transitions are discovered to stabilize at distinct crystal orientations in compressive-and tensile-strained cobaltites,which could be attributed to in-plane and out-of-plane Ruddlesden-Popper stacking faults,respectively.A two-stage process from exterior to interior phase transition is evidenced in compressive-strained LaCoO_(2.5),while a single-step nucleation process leaving bottom layer unchanged in tensile-strained situation.Strain analyses reveal that the former process is initiated by an expansion in Co layer at boundary,whereas the latter one is associated with an edge dislocation combined with antiphase boundary.These findings provide a chemomechanical perspective on the structure regulation of perovskite oxides and enrich insights into strain-dependent phase diagram in epitaxial oxides films.

Distinct vibrational signatures and complex phase behavior in metallic oxygen

Evidence for metallization in dense oxygen has been reported for over 30 years[Desgreniers et al.,J.Phys.Chem.94,1117(1990)]at a now routinely accessible 95 GPa[Shimizu et al.,Nature 393,767(1998)].However,despite the longevity of this result and the technological advances since,the nature of the metallic phase remains poorly constrained[Akahama et al.,Phys.Rev.Lett.74,4690(1995);Goncharov et al.,Phys.Rev.B 68,224108(2003);Ma,Phys.Rev.B 76,064101(2007);and Weck et al.,Phys.Rev.Lett.102,255503(2009)].In this work,through Raman spectroscopy,we report the distinct vibrational characteristics of metallicζ-O_(2) from 85 to 225 GPa.In comparison with numerical simulations,wefind reasonable agreement with the candidate structure up to about 150 GPa.At higher pressures,the C2/mstructure is found to be unstable and incompatible with experimental observations.Alternative candidate structures,and Ci,with C2/m C2/conly two molecules in the primitive unit cell,are found to be stable and more compatible with measurements above 175 GPa,indicative of the dissociation of(O_(2))4 units.Further,we report and discuss a strong hysteresis and metastability with the precursory phaseϵ-O_(2).Thesefindings will reinvigorate experimental and theoretical work into the dense oxygen system,which will have importance for oxygen-bearing chemistry,prevalent in the deep Earth,as well as fundamental physics.