Pressure-induced magnetic phase and structural transition in SmSb_(2)

Motivated by the recent discovery of unconventional superconductivity around a magnetic quantum critical point in pressurized CeSb_(2),here we present a high-pressure study of an isostructural antiferromagnetic(AFM) SmSb_(2) through electrical transport and synchrotron x-ray diffraction measurements.At P_(C)~2.5 GPa,we found a pressure-induced magnetic phase transition accompanied by a Cmca→P4/nmm structural phase transition.In the pristine AFM phase below P_(C),the AFM transition temperature of SmSb_(2) is insensitive to pressure;in the emergent magnetic phase above P_(C),however,the magnetic critical temperature increases rapidly with increasing pressure.In addition,at ambient pressure,the magnetoresistivity(MR) of SmSb_(2) increases suddenly upon cooling below the AFM transition temperature and presents linear nonsaturating behavior under high field at 2 K.With increasing pressure above P_(C),the MR behavior remains similar to that observed at ambient pressure,both in terms of temperature-and field-dependent MR.This leads us to argue an AFM-like state for SmSb_(2) above P_(C).Within the investigated pressure of up to 45.3 GPa and the temperature of down to 1.8 K,we found no signature of superconductivity in SmSb_(2).

Unveiling the pressure-driven metal–semiconductor–metal transition in the doped TiS_(2)

Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands,leading to increased electrical conductivity.Here,we report the electrical properties of the doped 1T-TiS_(2) under high pressure by electrical resistance investigations,synchrotron x-ray diffraction,Raman scattering and theoretical calculations.Up to 70 GPa,an unusual metal-semiconductor-metal transition occurs.Our first-principles calculations suggest that the observed anti-Wilson transition from metal to semiconductor at 17 GPa is due to the electron localization induced by the intercalated Ti atoms.This electron localization is attributed to the strengthened coupling between the doped Ti atoms and S atoms,and the Anderson localization arising from the disordered intercalation.At pressures exceeding 30.5 GPa,the doped TiS_(2) undergoes a re-metallization transition initiated by a crystal structure phase transition.We assign the most probable space group as P2_(1)2_(1)2_(1).Our findings suggest that materials probably will eventually undergo the Wilson transition when subjected to sufficient pressure.

Multiphysics processes in the interfacial transition zone of fiber-reinforced cementitious composites under induced curing pressure and implications for mine backfill materials: A critical review

The mesoscale fiber-matrix interfacial transition zone(FM-ITZ) under induced curing pressure plays a key role in the effectiveness of fiber reinforcement and the engineering application of fiber-reinforced cementitious composites(FRCCs). This critical review establishes the link among induced curing pressure(i.e., external loading condition), multiphysics processes(i.e., internal governing mechanism), and interface behavior(i.e., material behavior) for FRCC materials through analysis of the state-of-the-art research findings on the FM-ITZ of FRCC materials. The following results are obtained. For the mechanical process, the induced curing pressure changes the stress state and enhances multicracking behavior, which can strengthen the FM-ITZ. For the hydraulic process, the strengthened seepage of the FM-ITZ under induced curing pressure weakens the effective stress and exaggerates the deficiency in water retention capacity between the bulk matrix and the FMITZ. For the thermal process, the induced curing pressure causes a steep temperature gradient in the FM-ITZ and thus influences the temperature evolution and thermally-induced microcracks in the FM-ITZ. For the chemical process, the induced curing pressure enhances hydration kinetics and results in the formation of additional hydration products in the FM-ITZ. Moreover, recommendations are proposed on the basis of findings from this review to facilitate the implementation of fiber reinforcement in cemented paste backfill technology.

Pressure-induced structural transition and low-temperature recovery of sodium pentazolate

Pentazolate compounds have attracted extensive attention as high energy density materials.The synthesis and recovery of pentazolate compounds is of great importance for their potential applications.Here,we report the synthesis of Pmn2_(1)-NaN_(5)and Pm-Na_(2)N_(5)through compressing and laser heating pure NaN_(3)at~60 GPa.Upon decompression,the pressureinduced structural transition from Pmn2_(1)-NaN_(5)into Cm-NaN_(5)is observed in the pressure range of 14-23 GPa for the first time.The cyclo-N_(5)^(-)can be traced down to 4.7 GPa at room temperature and recovered to ambient pressure under low temperature condition(up to 160 K).The Pm-Na_(2)N_(5)is suggested to decompose into the P4/mmm-NaN_(2)at 23 GPa,and be stable at ambient conditions.This work provides insight into the high-pressure behaviors of pentazolate compounds and an alternative way to stabilize energetic polynitrogen compounds.

Pressure induced insulator to metal transition in quantum spin liquid candidate NaYbS_(2)

Pressure induced insulator to metal transition followed by the appearance of superconductivity has been observed recently in inorganic quantum spin liquid candidate NaYbSe_(2).In this paper,we study the properties of isostructural compound NaYbS_(2)under pressure.It is found that the resistance of Na YbS_(2)single crystal exhibits an insulating state below 82.9 GPa,but with a drop of more than six orders of magnitude at room temperature.Then a minimum of resistance is observed at about 100.1 GPa and it moves to lower temperature with further compression.Finally,a metallic state in the whole temperature range is observed at about 130.3 GPa accompanied by a non-Fermi liquid behavior below 100 K.The insulator to metal transition,non-monotonic resistance feature and non-Fermi liquid behavior of NaYbS_(2)under pressure are similar to those of NaYbSe_(2),suggesting that these phenomena might be the universal properties in NaLnCh_(2)(Ln=rare earth,Ch=O,S,Se)system.

First-principles study of structural and electronic properties of multiferroic oxide Mn_(3)TeO_(6) under high pressure

Mn_(3)TeO_(6)(MTO) has been experimentally found to adopt a P2_(1)/In structure under high pressure,which exhibits a significantly smaller band gap compared to the atmospheric R3 phase.In this study,we systematically investigate the magnetism,structural phase transition,and electronic properties of MTO under high pressure through first-principles calculations.Both R3 and P2_(1)/n phases of MTO are antiferromagnetic at zero temperature.The R3 phase transforms to the P2_(1)/n phase at 7.5 8 GPa,accompanied by a considerable volume collapse of about 6.47%.Employing the accurate method that combines DFT+U/and GW,the calculated band gap of R3 phase at zero pressure is very close to the experimental values,while that of the P2_(1)/n phase is significantly overestimated.The main reason for this difference is that the experimental study incorrectly used the Kubelka-Munk plot for the indirect band gap to obtain the band gap of the P2_(1)/n phase instead of the Kubelka-Munk plot for the direct band gap.Furthermore,our study reveals that the transition from the R3 phase to the P2_(1)/n phase is accompanied by a slight reduction in the band gap.

Ultrafast dynamics in photo-excited Mott insulator Sr_(3)Ir_(2)O_7 at high pressure

High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for studying delicate phase transitions caused by complex interactions in Mott insulators.With time-resolved transient reflectivity measurements,we identified the new phases in the spin–orbit Mott insulator Sr_(3)Ir_(2)O_7 at 300 K that was previously unidentified using conventional approaches such as x-ray diffraction.Significant pressure-dependent variation of the amplitude and lifetime obtained by fitting the reflectivity?R/R reveal the changes of electronic structure caused by lattice distortions,and reflect the critical phenomena of phase transitions.Our findings demonstrate the importance of ultrafast nonequilibrium dynamics under extreme conditions for understanding the phase transition of Mott insulators.

Temperature prediction model in multiphase flow considering phase transition in the drilling operations

The study considers gas compression properties,gas slippage,back pressure(BP),phase transition(PT),well depth,and differences in gas-liquid physical properties.A new temperature model for multiphase flow is proposed by considering phase transition in the drilling process.The mathematical model of multiphase flow is solved using the finite difference method with annulus mesh division for grid nodes,and a module for multiphase flow calculation and analysis is developed.Numerical results indicate that the temperature varies along the annulus with the variation of gas influx at the bottom of the well.During the process of controlled pressure drilling,as gas slips along the annulus to the wellhead,its volume continuously expands,leading to an increase in the gas content within the annulus,and consequently,an increase in the pressure drop caused by gas slippage.The temperature increases with the increase in BP and decreases in gas influx rate and wellbore diameter.During gas influx,the thermal conductivity coefficient for the gas-drilling mud two phases is significantly weakened,resulting in a considerable change in temperature along the annulus.In the context of MPD,the method of slightly changing the temperature along the annulus by controlling the back pressure is feasible.

Mechanism of brittle-ductile transition of a glass-ceramic rigid substrate

The hardness, elastic modulus, and scratch resistance of a glass-ceramic rigid substrate were measured by nanoindentation and nanoscratch, and the fracture toughness was measured by indentation using a Vickers indenter. The results show that the hardness and elastic modulus at a peak indentation depth of 200 nm are 9.04 and 94.70 GPa, respectively. These values reflect the properties of the glass-ceramic rigid substrate. The fracture toughness value of the glass-ceramic rigid substrate is 2.63 MPa？m1/2. The material removal mechanisms are seen to be directly related to normal force on the tip. The critical load and scratch depth estimated from the scratch depth profile after scratching and the friction profile are 268.60 mN and 335.10 nm, respectively. If the load and scratch depth are under the critical values, the glass-ceramic rigid substrate will undergo plastic flow rather than fracture. The formula of critical depth of cut described by Bifnao et al. is modified based on the difference of critical scratch depth

Anisotropic brittle-ductile transition of monocrystalline sapphire during orthogonal cutting and nanoindentation experiments

Single-crystal sapphire is utilized as a high-performance engineering material,especially in extreme and harsh environments.However,due to its extreme hardness and brittleness,the machinability of sapphire is still a challenge.By means of nanoindentation and plunge-cut experiments,the anisotropic brittle-ductile transition of the prismatic M-plane and rhombohedral R-plane is examined by analyzing crack morphologies and the critical depth-of-cut(CDC).The experimental results of the nanoindentation tests are correlated to the plunge-cut experiment.Both the prism plane and the rhombohedral crystal plane exhibit a two-fold symmetry of ductility with various crack patterns along the machined grooves.The direction-dependent plasticity of the hexagonal sapphire crystal is mainly connected to a twinning process accompanied by slip dislocation.

Phase transition of solid bismuth under high pressure

As a widely used pressure calibrator, the structural phase transitions of bismuth from phase I, to phase II, to phase III,and then to phase V with increasing pressure at 300 K have been widely confirmed. However, there are different structural versions for phase III, most of which are determined by x-ray diffraction(XRD) technology. Using x-ray absorption fine structure(XAFS) measurements combined with ab initio calculations, we show that the proposed incommensurate composite structure of bismuth of the three configurations is the best option. An abnormal continuous increase of the nearest-neighbor distance of phase III with elevated pressure is also observed. The electronic structure transformation from semimetal to metal is responsible for the complex behavior of structure transformation.

Effects of grinding-induced grain boundary and interfaces on electrical transportation and structure phase transition in ZnSe under high pressure

Interface and scale effects are the two most important factors which strongly affect the structure and the properties of nano-/micro-crystals under pressure.We conduct an experiment under high pressure in situ alternating current impedance to elucidate the effects of interface on the structure and electrical transport behavior of two Zn Se samples with different sizes obtained by physical grinding.The results show that（i） two different-sized Zn Se samples undergo the same phase transitions from zinc blend to cinnabar-type phase and then to rock salt phase;（ii） the structural transition pressure of the859-nm Zn Se sample is higher than that of the sample of 478 nm,which indicates the strong scale effect.The pressure induced boundary resistance change is obtained by fitting the impedance spectrum,which shows that the boundary conduction dominates the electrical transport behavior of Zn Se in the whole experimental pressure range.By comparing the impedance spectra of two different-sized Zn Se samples at high pressure,we find that the resistance of the 478-nm Zn Se sample is lower than that of the 859-nm sample,which illustrates that the sample with smaller particle size has more defects which are due to physical grinding.

BRITTLE-DUCTILE TRANSITION OF PP/EPDM/ELASTOMERIC NANO-PARTICLE TERNARY BLENDS

The brittle-ductile transition is a very important phenomenon for polymer toughening. Polypropylene （PP） is often toughened by using rubbers, e.g., ethylene-propylene diene monomer （EPDM） has often been used as a modifier. In this article, the toughening of PP by using a new kind of rubber, known as elastomeric nano-particle （ENP）, and the brittleductile transition of PP/EPDM/ENP was studied. Compared to PP/EPDM binary blends, the brittle-ductile transition of PP/EPDM/ENP ternary blends occurred at lower EPDM contents. SEM experiment was carried out to investigate the etched and impact-fractured surfaces. ENP alone had no effect on the impact strength of PP, however, with the same EPDM content, PP/EPDM/ENP ternary blends had smaller particle size, better dispersion and smaller interparticle distance in contrary to PP/EPDM binary blends, which promoted the brittle-ductile transition to occur earlier.

Compression behavior and phase transition of β-Si_3N_4 under high pressure

The compressibility and pressure-induced phase transition of β-Si3N4 were investigated by using an angle dispersive x-ray diffraction technique in a diamond anvil cell at room temperature. Rietveld refinements of the x-ray powder diffraction data verified that the hexagonal structure（with space group P63/m, Z = 2 formulas per unit cell） β-Si3N4 remained stable under high pressure up to 37 GPa. Upon increasing pressure, β-Si3 N4 transformed to δ-Si3N4 at about 41 GPa. The initial β-Si3N4 was recovered as the pressure was released to ambient pressure, implying that the observed pressureinduced phase transformation was reversible. The pressure–volume data of β-Si3N4 was fitted by the third-order Birch–Murnaghan equation of state, which yielded a bulk modulus K0= 273（2） GPa with its pressure derivative K0= 4（fixed）and K0= 278（2） GPa with K 0= 5. Furthermore, the compressibility of the unit cell axes（a and c-axes） for the β-Si3N4 demonstrated an anisotropic property with increasing pressure.

Thickness-dependent structural stability and transition in molybdenum disulfide under hydrostatic pressure

Understanding the physical mechanism of structural stability and transition in various polytypes of layered transition metal dichalcogenides under the external stimulus is of crucial importance for their new applications.Here,we investigate the thickness-dependent structural properties of MoS2 under the condition of hydrostatic pressure in terms of bond relaxation and thermodynamics considerations.For both types of MoS2 structures,we find that the transition and metallization are significantly modulated by hydrostatic pressure and the number of layers.We establish a pressure-size phase diagram to address the transition mechanism.Our study not only provides insights into the thickness-dependent structural properties of MoS2,but also shows a theoretical guidance for the design and fabrication of MoS2-based devices.

Pressure and Time Dependences of the Supercooled Liquid-to-Liquid Transition in Sulfur

Thermal behavior of bulk amorphous sulfur is investigated by in situ temperature measurements at high pressures of 0.9, 1.4 and 2.1 GPa, and under different heating rates of 8, 10 and 12K/min at 0.9 GPa. The results show that the onset temperature of the transition from the supercooled Hquid to the liquid state for sulfur increases with the pressure and the heating rate. It is deduced that the transition does not follow the Clapeyron equation, indicating considerable coupling of the molecular structure change in the transition. Along with the data at ambient pressure and high pressure, we present a dynamic diagram to demonstrate the relationship between the amorphous solid, supercooled liquid, liquid, and crystal phases of sulfur, and suggest an experimental approach to establish pressure-temperature-time transition diagrams for supercooled liquid and liquid.

High-pressure investigations on the isostructural phase transition and metallization in realgar with diamond anvil cells

The high-pressure structural,vibrational and electrical properties for realgar were investigated by in-situ Raman scattering and electrical conductivity experiments combined with first-principle calculations up to~30.8 GPa.It was verified that realgar underwent an isostructural phase transition at~6.3 GPa and a metallization at a higher pressure of~23.5 GPa.The isostructural phase transition was well evidenced by the obvious variations of Raman peaks,electrical conductivity,crystal parameters and the As–S bond length.The phase transition of metallization was in closely associated with the closure of bandgap rather than caused by the structural phase transition.And furthermore,the metallic realgar exhibited a relatively low compressibility with the unit cell volume V_(0)=718.1.4Å^(3)and bulk modulus B_(0)=36.1 GPa.

High pressure structural phase transitions of TiO_2 nanomaterials

Recently, the high pressure study on the TiO_2 nanomaterials has attracted considerable attention due to the typical crystal structure and the fascinating properties of TiO_2 with nanoscale sizes. In this paper, we briefly review the recent progress in the high pressure phase transitions of TiO_2 nanomaterials. We discuss the size effects and morphology effects on the high pressure phase transitions of TiO_2 nanomaterials with different particle sizes, morphologies, and microstructures. Several typical pressure-induced structural phase transitions in TiO_2 nanomaterials are presented, including size-dependent phase transition selectivity in nanoparticles, morphology-tuned phase transition in nanowires, nanosheets,and nanoporous materials, and pressure-induced amorphization（PIA） and polyamorphism in ultrafine nanoparticles and TiO_2-B nanoribbons. Various TiO_2 nanostructural materials with high pressure structures are prepared successfully by high pressure treatment of the corresponding crystal nanomaterials, such as amorphous TiO_2 nanoribbons, α-PbO_2-type TiO_2 nanowires, nanosheets, and nanoporous materials. These studies suggest that the high pressure phase transitions of TiO_2 nanomaterials depend on the nanosize, morphology, interface energy, and microstructure. The diversity of high pressure behaviors of TiO_2 nanomaterials provides a new insight into the properties of nanomaterials, and paves a way for preparing new nanomaterials with novel high pressure structures and properties for various applications.

Experiments of Brittle-Plastic Transition and Instability Modes of Juyongguan Granite at Different Temperatures and Pressures

Three groups of experiments on brittle-plastic transition and instability modes of granite were performed in a triaxial vessel with solid pressure medium at high temperature and high pressure. The results of experiments show that brittle faulting is the major failure mode at temperature <300℃, but crystal-plastic deformation is dominate at temperature >800℃, and there is a transition with increasing temperature from semi-brittle faulting to cataclastic flow and semi-brittle flow at temperatures of 300～800℃. So, temperature is the most influential factor in brittle-plastic transition of granite and confining pressure is the second factor. The results also show that progressive failure of granite occurs at lower pressure or high temperature where there is crystal plasticity, and sudden instability occurs at room temperature and high pressure (>300MPa) or high temperature and great pressure(550℃600MPa ～650℃700MPa), and a broad regime of quasi-sudden instability exists between the T-P condition of progressive failure and sudden instability. So, instability modes of granite depend simultaneously on the pressure and temperature.

Structural transitions in NaNH2 via recrystallization under high pressure

Multiple phase transitions are detected in sodium amide(NaNH2), an important hydrogen storage material, upon compression in diamond anvil cells(DAC) by using Raman spectroscopy and x-ray diffraction(XRD) measurements.Additional Bragg reflections appear on lower and higher angle sides of the original ones at ~1.07 GPa and 1.84 GPa,accompanied by obvious changes in Raman spectroscopy, respectively.It reveals that NaNH2 undergoes the high-pressure phase sequence(α-β-γ) up to 20 GPa at room temperature.Spectral analysis indicates an orthorhombic structure with PBAN space group for the γ phase.We also experimentally observe high pressure induced recrystallization in alkaline amide compounds for the first time.