激光粉末床熔融(Laser Powder Bed Fusion,LPBF)技术是定制化多孔纯Mo结构的重要技术。然而,LPBF成形纯Mo试样仍面临表面粗糙度值高及耐蚀性差等问题。电化学抛光(Electrochemical Polishing,ECP)是LPBF成形纯Mo的主要环保型后处理工艺...激光粉末床熔融(Laser Powder Bed Fusion,LPBF)技术是定制化多孔纯Mo结构的重要技术。然而,LPBF成形纯Mo试样仍面临表面粗糙度值高及耐蚀性差等问题。电化学抛光(Electrochemical Polishing,ECP)是LPBF成形纯Mo的主要环保型后处理工艺。研究了不同ECP抛光状态对LPBF成形纯Mo的表面粗糙度及降解特性的影响。结果表明:经电化学抛光处理后,试样表面粗糙度由4.55μm显著降低至1.05μm;相比原始态试样,抛光后试样腐蚀电流密度降低了78.4%。失重率从大到小顺序为:原始态>半抛光>抛光,且随着浸泡时间增加,失重率逐渐增加。溶液pH值波动≤0.5,验证了降解过程未引发局部酸化,符合生物医用材料要求。通过采用ECP处理Mo基材料表面,为合理调控其植入体的降解行为及降解速率的均匀性提供了重要理论依据。展开更多
W-CoFeNi WHAs(tungsten heavy alloys)were fabricated by powder metallurgy with sintering temperatures ranging from 1480 to 1560℃.The influence of sintering temperatures on microstructure evolutions and mechanical prop...W-CoFeNi WHAs(tungsten heavy alloys)were fabricated by powder metallurgy with sintering temperatures ranging from 1480 to 1560℃.The influence of sintering temperatures on microstructure evolutions and mechanical properties of W-CoFeNi WHAs was investigated.The experimental results show that near-spherical W grains are distributed in CoFeNi ternary multi-principal-elements alloy(MPEA)with the formation of W-richμphase in all W-CoFeNi WHAs.The volume fractions ofμphase and average W grain size increase with sintering temperatures changing from 1480 to 1560℃.The activation energy for W grain growth is significantly higher than that of traditional W-Ni-Fe and W-Ni-Co WHAs,which indicates grain coarsening behavior in CoFeNi MPEA became more difficult compared to the conventional binder alloys.W-CoFeNi sintered at 1480℃exhibits the highest yield strength of 698 MPa among all WHAs due to finer W grain size.The compressive strength and fracture strain of W-CoFeNi reduce when sintering temperatures rise from 1480 to 1560℃.展开更多
The use of high entropy alloy as a binder for tungsten heavy alloys offers potential advantages.The 95W-5CoCrFeMnNi alloys(95W-HEAs)were prepared via powder metallurgy at sintering temperatures of 1400−1550℃.The micr...The use of high entropy alloy as a binder for tungsten heavy alloys offers potential advantages.The 95W-5CoCrFeMnNi alloys(95W-HEAs)were prepared via powder metallurgy at sintering temperatures of 1400−1550℃.The microstructure analysis revealed that the tungsten phase in 95W-HEAs exhibited a nearly spherical morphology in the HEA binder matrix and the formation of a Cr−Mn oxide mixed phase was observed.The sintering temperature exerted a significant influence on the relative density,grain size,W−W contiguity,and mechanical properties of the alloys.The optimal performance was achieved when sintering at 1450℃,yielding a relative density of 96.61%,a W−W contiguity of 0.528,an average grain size of 18.97μm,a compressive strength of 2234.82 MPa,and a hardness of HV 400.6.The activation energy for the diffusion of tungsten in the liquid phase formed by HEA binder was calculated to be 354.514 kJ/mol,highlighting its role in controlling grain growth.展开更多
High-performance intelligent protective materials are vital for nuclear energy systems exposed to extreme irradiation.Among them,tungsten-based alloys demonstrate exceptional potential owing to their superior irradiat...High-performance intelligent protective materials are vital for nuclear energy systems exposed to extreme irradiation.Among them,tungsten-based alloys demonstrate exceptional potential owing to their superior irradiation resistance.Recent experimental studies have demonstrated that W-Ta-Cr-V alloys exhibit excellent irradiation resistance under helium(He)ion irradiation.However,the underlying mechanisms,especially the migration behavior of He atoms,remain unclear.In this work,the influences of uniaxial tensile and compressive strain on He migration in W-Ta-Cr-V complex alloys have been systematically studied through first-principles calculations.Our results demonstrate that He atoms preferentially occupy the tetrahedral interstitial sites,with interstitial formation energies significantly reduced compared to pure W.The introduction of Ta,Cr,and V alloying elements markedly increases the He migration barriers,effectively suppressing He diffusion.Compressive strain increases the migration barriers,inhibiting He bubbles nucleation and growth,while tensile strain decreases the barriers,facilitating bubble formation.Compared to pure W,the W-Ta-Cr-V alloys exhibit both lower He interstitial formation energies and higher migration barriers,with further enhancement under compressive strain.Specifically,compressive strain of 6%increases the He migration barrier of the W-Ta-Cr-V alloy by 0.166 e V,which further widens the difference relative to pure W.These findings provide a theoretical explanation for the superior irradiation resistance of tungsten-based alloys observed experimentally and promote the understanding of irradiation damage in these alloys under strain.展开更多
This investigation utilizes non-equilibrium molecular dynamics(NEMD)simulations to explore shockinduced spallation in single-crystal tantalumacross shock velocities of 0.75–4 km/s and initial temperatures from300 to ...This investigation utilizes non-equilibrium molecular dynamics(NEMD)simulations to explore shockinduced spallation in single-crystal tantalumacross shock velocities of 0.75–4 km/s and initial temperatures from300 to 2000 K.Two spallation modes emerge:classical spallation for shock velocity below 1.5 km/s,with solid-state reversible Body-Centered Cubic(BCC)to Face-Centered Cubic(FCC)orHexagonal Close-Packed(HCP)phase transformations and discrete void nucleation-coalescence;micro-spallation for shock velocity above 3.0 km/s,featuring complete shock-induced melting and fragmentation,with a transitional regime(2.0-2.5 km/s)of partial melting.Spall strength decreases monotonically with temperature due to thermal softening.Elevated temperatures delay void nucleation but increase density,expanding spall regions and enhancing structural disorder with reduced BCC recovery.For microspallation,melting exacerbates damage,causing smaller voids and intensified atomic ejection,which increases with temperature.Free surface velocity profiles indicate damage:in classical spallation,first drop marks nucleation,and pullback signals spall layers.In micro-spallation,the first drop is irrelevant,but remains valid.Temperature delays pullback signals and weakens Hugoniot Elastic Limit.This study clarifies temperature-shock coupling in Ta spallation,aiding failure prediction in high-temperature shock environments.展开更多
Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular ...Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular dynamics simulations of the Ta_(0.4)Ti_(2)Zr(Ta_(0.4))alloy.Monte Carlo simulations using this potential reveal Ta atom precipitation in the Ta_(0.4)alloy.Under uniaxial tensile loading along the[100]direction in the NPT ensemble,the alloy undergoes a remarkable sequence of phase transformations:an initial body-centered cubic(BCC_(1))to face-centered cubic(FCC)transformation,followed by a reverse transformation from FCC to a distinct BCC phase(BCC_(2)),and finally a BCC_(2) to hexagonal close-packed(HCP)transformation.Critically,the reverse FCC to BCC_(2) transformation induces significant volume contraction.We demonstrate that the inversely transformed BCC_(2) phase primarily accommodates compressive stress.Concurrently,the reorientation of BCC_(2) crystals contributes substantially to the observed high strain hardening.These simulations provide atomic-scale insights into the dynamic structural evolution,sequential phase transformations,and stress partitioning during deformation of the Ta_(0.4)alloy.The developed DP model and the revealed mechanisms offer fundamental theoretical guidance for accelerating the design of high-performance MPEAs.展开更多
文摘激光粉末床熔融(Laser Powder Bed Fusion,LPBF)技术是定制化多孔纯Mo结构的重要技术。然而,LPBF成形纯Mo试样仍面临表面粗糙度值高及耐蚀性差等问题。电化学抛光(Electrochemical Polishing,ECP)是LPBF成形纯Mo的主要环保型后处理工艺。研究了不同ECP抛光状态对LPBF成形纯Mo的表面粗糙度及降解特性的影响。结果表明:经电化学抛光处理后,试样表面粗糙度由4.55μm显著降低至1.05μm;相比原始态试样,抛光后试样腐蚀电流密度降低了78.4%。失重率从大到小顺序为:原始态>半抛光>抛光,且随着浸泡时间增加,失重率逐渐增加。溶液pH值波动≤0.5,验证了降解过程未引发局部酸化,符合生物医用材料要求。通过采用ECP处理Mo基材料表面,为合理调控其植入体的降解行为及降解速率的均匀性提供了重要理论依据。
基金Funded by the National Natural Science Foundation of China(Nos.52404378 and 52371019)the Basic Scientific Research Project of Liaoning Provincial Education Department(No.JYTQN2023009)the Dalian Science&Technology Innovation Foundation Project(No.2024JJ11PT003)。
文摘W-CoFeNi WHAs(tungsten heavy alloys)were fabricated by powder metallurgy with sintering temperatures ranging from 1480 to 1560℃.The influence of sintering temperatures on microstructure evolutions and mechanical properties of W-CoFeNi WHAs was investigated.The experimental results show that near-spherical W grains are distributed in CoFeNi ternary multi-principal-elements alloy(MPEA)with the formation of W-richμphase in all W-CoFeNi WHAs.The volume fractions ofμphase and average W grain size increase with sintering temperatures changing from 1480 to 1560℃.The activation energy for W grain growth is significantly higher than that of traditional W-Ni-Fe and W-Ni-Co WHAs,which indicates grain coarsening behavior in CoFeNi MPEA became more difficult compared to the conventional binder alloys.W-CoFeNi sintered at 1480℃exhibits the highest yield strength of 698 MPa among all WHAs due to finer W grain size.The compressive strength and fracture strain of W-CoFeNi reduce when sintering temperatures rise from 1480 to 1560℃.
基金supported by the National Natural Science Foundation of China(No.51874368)。
文摘The use of high entropy alloy as a binder for tungsten heavy alloys offers potential advantages.The 95W-5CoCrFeMnNi alloys(95W-HEAs)were prepared via powder metallurgy at sintering temperatures of 1400−1550℃.The microstructure analysis revealed that the tungsten phase in 95W-HEAs exhibited a nearly spherical morphology in the HEA binder matrix and the formation of a Cr−Mn oxide mixed phase was observed.The sintering temperature exerted a significant influence on the relative density,grain size,W−W contiguity,and mechanical properties of the alloys.The optimal performance was achieved when sintering at 1450℃,yielding a relative density of 96.61%,a W−W contiguity of 0.528,an average grain size of 18.97μm,a compressive strength of 2234.82 MPa,and a hardness of HV 400.6.The activation energy for the diffusion of tungsten in the liquid phase formed by HEA binder was calculated to be 354.514 kJ/mol,highlighting its role in controlling grain growth.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11505003 and 52325103)the Anhui Provincial Natural Science Foundation(Grant No.2108085MA25)。
文摘High-performance intelligent protective materials are vital for nuclear energy systems exposed to extreme irradiation.Among them,tungsten-based alloys demonstrate exceptional potential owing to their superior irradiation resistance.Recent experimental studies have demonstrated that W-Ta-Cr-V alloys exhibit excellent irradiation resistance under helium(He)ion irradiation.However,the underlying mechanisms,especially the migration behavior of He atoms,remain unclear.In this work,the influences of uniaxial tensile and compressive strain on He migration in W-Ta-Cr-V complex alloys have been systematically studied through first-principles calculations.Our results demonstrate that He atoms preferentially occupy the tetrahedral interstitial sites,with interstitial formation energies significantly reduced compared to pure W.The introduction of Ta,Cr,and V alloying elements markedly increases the He migration barriers,effectively suppressing He diffusion.Compressive strain increases the migration barriers,inhibiting He bubbles nucleation and growth,while tensile strain decreases the barriers,facilitating bubble formation.Compared to pure W,the W-Ta-Cr-V alloys exhibit both lower He interstitial formation energies and higher migration barriers,with further enhancement under compressive strain.Specifically,compressive strain of 6%increases the He migration barrier of the W-Ta-Cr-V alloy by 0.166 e V,which further widens the difference relative to pure W.These findings provide a theoretical explanation for the superior irradiation resistance of tungsten-based alloys observed experimentally and promote the understanding of irradiation damage in these alloys under strain.
基金funded by the Changsha Municipal Natural Science Foundation(Grant No.kq2402024)Chengdu Polytechnic Scientific Research Platform(23KYPT01).
文摘This investigation utilizes non-equilibrium molecular dynamics(NEMD)simulations to explore shockinduced spallation in single-crystal tantalumacross shock velocities of 0.75–4 km/s and initial temperatures from300 to 2000 K.Two spallation modes emerge:classical spallation for shock velocity below 1.5 km/s,with solid-state reversible Body-Centered Cubic(BCC)to Face-Centered Cubic(FCC)orHexagonal Close-Packed(HCP)phase transformations and discrete void nucleation-coalescence;micro-spallation for shock velocity above 3.0 km/s,featuring complete shock-induced melting and fragmentation,with a transitional regime(2.0-2.5 km/s)of partial melting.Spall strength decreases monotonically with temperature due to thermal softening.Elevated temperatures delay void nucleation but increase density,expanding spall regions and enhancing structural disorder with reduced BCC recovery.For microspallation,melting exacerbates damage,causing smaller voids and intensified atomic ejection,which increases with temperature.Free surface velocity profiles indicate damage:in classical spallation,first drop marks nucleation,and pullback signals spall layers.In micro-spallation,the first drop is irrelevant,but remains valid.Temperature delays pullback signals and weakens Hugoniot Elastic Limit.This study clarifies temperature-shock coupling in Ta spallation,aiding failure prediction in high-temperature shock environments.
基金supported by the National University of Defense Technology Research Fund Projectthe National Natural Science Foundation of China(Grant No.12534013)the Science and Technology Innovation Program of Hunan Province(Grant Nos.2025ZYJ001 and 2021RC4026)。
文摘Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular dynamics simulations of the Ta_(0.4)Ti_(2)Zr(Ta_(0.4))alloy.Monte Carlo simulations using this potential reveal Ta atom precipitation in the Ta_(0.4)alloy.Under uniaxial tensile loading along the[100]direction in the NPT ensemble,the alloy undergoes a remarkable sequence of phase transformations:an initial body-centered cubic(BCC_(1))to face-centered cubic(FCC)transformation,followed by a reverse transformation from FCC to a distinct BCC phase(BCC_(2)),and finally a BCC_(2) to hexagonal close-packed(HCP)transformation.Critically,the reverse FCC to BCC_(2) transformation induces significant volume contraction.We demonstrate that the inversely transformed BCC_(2) phase primarily accommodates compressive stress.Concurrently,the reorientation of BCC_(2) crystals contributes substantially to the observed high strain hardening.These simulations provide atomic-scale insights into the dynamic structural evolution,sequential phase transformations,and stress partitioning during deformation of the Ta_(0.4)alloy.The developed DP model and the revealed mechanisms offer fundamental theoretical guidance for accelerating the design of high-performance MPEAs.
