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Mining of lattice distortion, strength, and intrinsic ductility of refractory high entropy alloys

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npj Computational Materials 2023年第1期9卷 1814-1825页

作者： Christopher Tandoc yong-jie hu Liang Qi Peter K.Liaw Department of Materials Science and Engineering Drexel UniversityPhiladelphiaPA 19104USA Department of Materials Science and Engineering University of MichiganAnn ArborMI 48109USA Department of Materials Science and Engineering University of TennesseeKnoxvilleTN 37996USA

Severe lattice distortion is a prominent feature of high-entropy alloys(HEAs)considered a reason for many of those alloys’***,accurate characterizations of lattice distortion are still scarce to only cover a tiny fraction of HEA’s giant composition space due to the expensive experimental or computational *** we present a physics-informed statistical model to efficiently produce high-throughput lattice distortion predictions for refractory non-dilute/high-entropy alloys(RHEAs)in a 10-element composition *** model offers improved accuracy over conventional methods for fast estimates of lattice distortion by making predictions based on physical properties of interatomic bonding rather than atomic size mismatch of pure *** modeling of lattice distortion also implements a predictive model for yield strengths of RHEAs validated by various sets of experimental *** our previous model on intrinsic ductility,a data mining design framework is demonstrated for efficient exploration of strong and ductile single-phase RHEAs.

关键词： alloys ductility strength

In situ TEM observations and molecular dynamics simulations of deformation defect activities in Mg via nanoindentation

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Journal of Magnesium and Alloys 2023年第12期11卷 4513-4524页

作者： Yi-Cheng Lai Yubin Ying Digvijay Yadav Jose Guerrero yong-jie hu Kelvin Y.Xie Department of Materials Science and Engineering Texas A&M UniversityCollege StationTX 77845USA Department of Materials Science and Engineering Drexel UniversityPhiladelphiaPA 19104USA

In this work, we performed in situ nanoindentation in TEM to capture the real-time dislocation and twinning activities in pure Mg during loading and unloading. We demonstrated that the screw component of dislocations glides continuously, while the edge components rapidly become sessile during loading. The twin tip propagation is intermittent, whereas the twin boundary migration is more continuous. During unloading, we observed the elastic strain relaxation causes both dislocation retraction and detwinning. Moreover,we note that the plastic zone comprised of dislocations in Mg is well-defined, which contrasts with the diffused plastic zones observed in face-centered cubic metals under the nanoindentation impressions. Additionally, molecular dynamics simulations were performed to study the formation and evolution of deformation-induced crystallographic defects at the early stages of indentation. We observed that,in addition to dislocations, the I1stacking fault bounded with a Frank loop can be generated from the plastic zone ahead of the indenter, and potentially serve as a nucleation source for abundant dislocations observed experimentally. These new findings are anticipated to provide new knowledge on the deformation mechanisms of Mg, which are difficult to obtain through conventional ex situ approaches. These observations may serve as a baseline for simulation work that investigate the dynamics of dislocation slip and twinning in Mg and alloys.

关键词： In situ TEM Molecular dynamics simulation Dislocation Twinning Mg Nanoindentation

Diagenetic evolution and effects on reservoir development of the Dengying and Longwangmiao formations,Central Sichuan Basin,Southwestern China

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Petroleum Science 2023年第6期20卷 3379-3393页

作者： Lei Jiang An-Ping hu yong-Liang Ou Da-Wei Liu yong-jie hu You-Jun Tang Peng Sun Yuan-Yuan Liu Zi-Chen Wang Chun-Fang Cai Key Laboratory of Cenozoic Geology and Environment Institute of Geology and GeophysicsChinese Academy of SciencesBeijing100029China Innovation Academy for Earth Science Chinese Academy of SciencesBeijing100029China College of Earth and Planetary Sciences University of Chinese Academy of SciencesBeijing100049China College of Resources and Environment Yangtze UniversityWuhanHubei430100China PetroChina Hangzhou Research Institute of Geology HangzhouZhejiang310023China Petroleum Exploration and Production Research Institute SINOPECBeijing100083China Sinopec International Petroleum Exploration and Production Corporation Beijing100029China Institute of Sedimentary Geology Chengdu University of TechnologyChengduSichuan610059China

The deeply buried Lower Cambrian Longwangmiao Formation and Upper Ediacaran Dengying Formation from the Sichuan Basin,China,have a total natural gas reserve up to 3×10^(12)m^(3).The complex diagenetic evolution and their impacts on the present-day reservoir quality have not been systematically elucidated,hampering the current ***,the integration and comparation diagenetic study on these two formations,which may be able to shed new lights on reservoir formation mechanism,are yet to be systemically *** compiling geochemistry data,including carbonate U-Pb ages and petrophysics data,coupled with new petrology,trace elements,and strontium isotope data,of various types of diagenetic carbonates,this study aims to decipher the potential links between diagenesis and reservoir development of both ***,similar diagenetic sequence,which contains five distinctive dolomite phases,is established in both *** matrix dolomite(D1)and early dolomite cement(D2)were likely formed by reflux dolomitization,as inferred by their nearly syn-depositional U-Pb ages and elevatedδ^(18)O caused by seawater *** subsequent moderate burial dolomite cement(D3)was most plausibly the product of burial compaction as indicated by its lighterδ^(18)O and slightly younger U-Pb ages compared with D1 and *** deep burial dolomite cements(D4 and D5)yield markedly depletedδ^(18)O,elevated ^(87)Sr/^(86)Sr,along with much younger U-Pb ages and higher precipitation temperatures,suggesting that they were likely linked to hydrothermal *** the wide occurrence of meteoric and organic acids leaching and thermochemical sulfate reduction,they may have only played a subsidiary role on these reservoirs ***,superior reservoir quality is tightly linked to tectonics as inferred by higher reservoir quality closely related to the well-developed fractures and faults filled with abundant hydrothermal ***,good reservoi

关键词： Carbonate reservoir Diagenesis Dolomitization Meteoric water Oil charge Hydrothermal fluids Tectonic-driven fractures Deep to ultra-deep exploration

Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys

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npj Computational Materials 2023年第1期9卷 1430-1442页

作者： hui Zheng Lauren T.W.Fey Xiang-Guo Li yong-jie hu Liang Qi Chi Chen Shuozhi Xu Irene J.Beyerlein Shyue Ping Ong Department of NanoEngineering University of California San DiegoLa JollaCA 92093-0448USA Materials Department University of CaliforniaSanta BarbaraCA 93106-5050USA Department of Materials Science and Engineering University of MichiganAnn ArborMI 48109USA Department of Materials Science and Engineering Drexel UniversityPhiladelphiaPA 19104USA Department of Mechanical Engineering University of CaliforniaSanta BarbaraCA 93106-5070USA

Refractory multi-principal element alloys(RMPEAs)are promising materials for high-temperature structural ***,we investigate the role of short-range ordering(SRO)on dislocation glide in the MoNbTi and TaNbTi RMPEAs using a multi-scale modeling *** carlo/molecular dynamics simulations with a moment tensor potential show that MoNbTi exhibits a much greater degree of SRO than TaNbTi and the local composition has a direct effect on the unstable stacking fault energies(USFEs).From mesoscale phase-field dislocation dynamics simulations,we find that increasing SRO leads to higher mean USFEs and stress required for dislocation *** gliding dislocations experience significant hardening due to pinning and depinning caused by random compositional fluctuations,with higher SRO decreasing the degree of USFE dispersion and hence,amount of ***,we show how the morphology of an expanding dislocation loop is affected by the applied stress.

关键词： alloys dislocation element

Dorsal root entry zone coagulation for treatment of deafferentation pain syndromes

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Chinese Medical Journal 2008年第12期121卷 1089-1092页

作者： ZHANG Xiao-hua LI yong-jie hu yong-sheng TAO Wei ZHENG Zhe Beijing Institute of Functional Neurosurgery Xuanwu Hospital Capital Medical University Beijing 100053 China

Background Deafferentation pain is a kind of chronic pain syndrome and hard to manipulate. To evaluate the effectiveness and safety of junctional dorsal root entry zone （DREZ） coagulation, 23 consecutive patients with intractable deafferentation pain syndrome were studied.Methods Twenty-three patients underwent junctional DREZ coagulation （C5-T1 for upper extremities and L2-S1 for lower extremities） under general anesthesia. The pain severity was evaluated by the short McGill pain questionnaire （MPQ） and the visual analog scale （VAS）, and the depression and anxiety of patients were assessed by Hamilton rating scale for depression （HRSD）, Hamilton anxiety scale （HAMA）, self-rating anxiety scale （SAS） and self-rating depression scale （SDS）.Results All the patients experienced significant pain reduction immediately after surgery. The scales of short MPQ and VAS at pre-operation, 6-month and 12-month follow-up were 31.5±3.4 and 8.8±1.5, 6.5±1.9 and 2.5±2.2, 7.1±2.1 and 2.9±1.9, respectively. The postoperative scores comparing to pre-operative scores showed a statistically significant difference （P 〈0.01）. The depression and anxiety state was also significantly relieved. At 12-month follow-up 6 patients had complete pain relief, 11 had excellent results with more than 75% pain relief, 17 had good results with more than 50% pain relief （73.9%）. The main postoperative complications were transient slight hemiplegia （8）, hypesthesia and paresthesia （15）, a bearing down feeling of affected extremity （6）, and deep sensory disability in the lower limbs （4） on the operated side. Because of the long time and prone position of the operation, 13 cases had a transient hyperalgesia in the upper chest. Conclusion DREZ coagulation is a safe and effective procedure in the treatment of deafferentation pain syndromes.

关键词： deafferentation pain dorsal roat entry zone coagulation

Predicting densities and elastic moduli of SiO_(2)-based glasses by machine learning

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npj Computational Materials 2020年第1期6卷 1455-1467页

作者： yong-jie hu Ge Zhao Mingfei Zhang Bin Bin Tyler Del Rose Qian Zhao Qun Zu Yang Chen Xuekun Sun Maarten de Jong Liang Qi Department of Materials Science and Engineering University of MichiganAnn ArborMI 48109USA Department of Statistics Pennsylvania State UniversityState CollegePA 16802USA Fariborz Maseeh Department of Mathematics and Statistics Portland State UniversityPortlandOR 97207USA Sinoma Science&Technology Co. Ltd.210012 NanjingJiangsuChina Continental Technology LLC IndianapolisIN 46033USA Department of Materials Science and Engineering University of CaliforniaBerkeleyCA 94720USA Space Exploration Technologies(SpaceX) HawthorneCA 90250USA

Chemical design of SiO_(2)-based glasses with high elastic moduli and low weight is of great ***,it is difficult to find a universal expression to predict the elastic moduli according to the glass composition before synthesis since the elastic moduli are a complex function of interatomic bonds and their ordering at different length *** we show that the densities and elastic moduli of SiO_(2)-based glasses can be efficiently predicted by machine learning(ML)techniques across a complex compositional space with multiple(>10)types of additive oxides besides SiO_(2).Our machine learning approach relies on a training set generated by high-throughput molecular dynamic(MD)simulations,a set of elaborately constructed descriptors that bridges the empirical statistical modeling with the fundamental physics of interatomic bonding,and a statistical learning/predicting model developed by implementing least absolute shrinkage and selection operator with a gradient boost machine(GBM-LASSO).

关键词： glasses moduli bridges

Hyalinizing Clear Cell Carcinoma of salivary gland origin in head and neck: Clinical and Histopathologic Analysis

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Hyalinizing Clear Cell Carcinoma of salivary gland origin in...

Phase Ⅲ trial of docetaxel cisplatin 5-fluorouracil induction chemotherapy for resectable oral cancer suggests favorable pathological response as a surrogate endpoint for good therapeutic outcome

2018全国口腔生物医学学术年会

作者： Xi-hu Yang Liu Liu Yuan-Yuan Shi yong-jie hu Qin-Gang hu Ping Zhang Stomatological hospital Medical School of Nanjing University Department of Oral and Maxillofacial Surgery Ninth People's Hospital Shanghai Jiao Tong University School of Medicine Department of pathology Affiliated Hospital of Jiangsu University Boston University Henry M.Goldman School of Dental Medicine

BACKGROUND: Hyalinizing clear cell carcinoma(HCCC) is an extremely rare neoplasm of salivary gland origin with a low-grade indolent characteristic. It is difficult to distinguish with other salivary gland malignant tumors, and it is said that had good clinical outcomes after operation, the aim of the research is to further reveal the features of HCCC. METHODS: We report 14 new cases of HCCC. The clinical and histopathologic data of the disease obtained from earlier literature and fourteen original cases were analyzed. Overall, 155 cases were systematically reviewed up to the year of 2016. Data was extracted, including demographics, histopathologic findings, clinical presentation, primary treatment, and outcomes. We also compare current series’ data with the earlier published literature. RESULTS: 155 cases were recruited for our analysis. Histologically, tumor cells of HCCC having clear cell morphology with hyalinized stroma. Immunohistochemical results revealed that the cancer is positive for cytokeratin and epithelial membrane antigen, negative for smooth muscle actin(SMA), S-100, Vimentin, and Calponin. Local lode metastases’ was 17.3%(14/81) and the overall recurrence rate was17.7%(23/130), compare with 35.7%(5/14) and 21.4%(3/14) respectively in our files. We also find focal necrosis and local metastasis may be associated with recurrence. The overall prognosis was good,only 3.8% of patients(4/105) reported dying with disease. CONCLUSIONS: HCCC is less indolent than was believed previously, but, has an overall good prognosis;risk factors for recurrence may be including focal necrosis and local metastasis at presentation. The best treatment is wide local excision combine with regional lymph node dissection for patients with HCCC.

关键词： head and neck Hyalinizing clear cell carcinoma Oral cancer Prognosis

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Cancer Communications 2021年第3期41卷 279-283页

作者： Wu-tong Ju Ying Liu Li-zhen Wang Jiang Li Guo-xing Ren Jian Sun Wen-yong Tu yong-jie hu Tong Ji Wen-jun Yang Jun Li Yue He Yan-an Wang Chen-ping Zhang Lai-ping Zhong Zhi-yuan Zhang Department of Oral and Maxillofacial-Head and Neck Oncology Ninth People’s HospitalCollege of StomatologyShanghai Jiao Tong University School of MedicineShanghai 200011P.R.China National Clinical Research Center for Oral Diseases Shanghai Key Laboratory of StomatologyShanghai 200011P.R.China Department of Oral Pathology Ninth People’s HospitalCollege of StomatologyShanghai Jiao Tong University School of MedicineShanghai 200011P.R.China

Dear Editor,Induction chemotherapy has been utilized for decades in locally advanced head and neck squamous cell carcinoma(HNSCC).The docetaxel,cisplatin,5-fluorouracil(TPF)regimen is the most recommended induction chemotherapy regimen forHNSCC and oral squamous cell carcinoma(OSCC)[1].However,our initial phase Ⅲ trial failed to demonstrate a significant survival benefit of TPF induction chemotherapy in patients with locally advanced OSCC[2].

关键词： chemotherapy cisplatin regimen

Viscosity and structure relationship with equimolar substitution of CaO with MgO in the CaO–MgO–Al_(2)O_(3)–SiO_(2)slag melts

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 70-79页

作者： yong Hou Shuo Zhang jie Dang Jia Guo Hanghang Zhou Xuewei Lü College of Materials Science and Engineering Chongqing UniversityChongqing 400044China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing UniversityChongqing 400044China

Currently,the Al_(2)O_(3)content in the high-alumina slag systems within blast furnaces is generally limited to 16wt%–18.5wt%,making it challenging to overcome this *** most studies that concentrated on managing the MgO/Al_(2)O_(3)ratio or basicity,this paper explored the effect of equimolar substitution of MgO for CaO on the viscosity and structure of a high-alumina CaO-MgO-Al_(2)O_(3)-SiO_(2)slag system,providing theoretical guidance and data to facilitate the application of high-alumina *** results revealed that the viscosity first decreased and then increased with higher MgO substitution,reaching a minimum at 15mol%MgO *** transform infrared spectroscopy(FTIR)results found that the depths of the troughs representing[SiO_(4)]tetrahedra,[AlO_(4)]tetrahedra,and Si-O-Al bending became progressively deeper with increased MgO *** of the Raman spectra showed that the average number of bridging oxygens per Si atom and the X_(Q^(3))/X_(Q^(2))(X_(Q^(i))is the molar fraction of Q^(i) unit,and i is the number of bridging oxygens in a[SiO_(4)]tetrahedral unit)ratio increased from 2.30 and 1.02 to 2.52 and 2.14,respectively,indicating a progressive polymerization of the silicate structure.X-ray photoelectron spectroscopy(XPS)results highlighted that non-bridging oxygen content decreased from 77.97mol% to 63.41mol% with increasing MgO concentration,whereas bridging oxygen and free oxygen contents *** analysis demonstrated a gradual increase in the polymerization degree of the tetrahedral structure with the increase in MgO ***,bond strength is another important factor affecting the slag *** occurrence of a viscosity minimum can be attributed to the complex evolution of bond strengths of non-bridging oxygens generated during depolymerization of the[SiO_(4)]and[AlO_(4)]tetrahedral structures by CaO and MgO.

关键词： aluminosilicate viscosity structure spectroscopy