Accelerated exploration of multi-principal element alloys for structural applications

A strategy for accelerated discovery and exploration of multi-principal element alloys was developed and used to identify new alloys within a design window of desired microstructures and properties. As an example, the strategy was applied to analyze thousands of 3- 4-, 5- and 6-component alloys at equiatomic compositions of the alloying elements. Currently available thermodynamic databases were used to assess equilibrium phase diagrams for these alloys. The validity and reliability of the calculated phase diagrams were estimated based on the extent of experimental binary and ternary data used to build the respective thermodynamic databases. Alloys with specific characteristics, such as single-phase solid solution alloys with the use temperature above 1000 °C, were identified using an automated analysis of the calculated phase diagrams. The density, elastic moduli and costs of these alloys were estimated using the rule of mixtures of pure elements and were used as additional criteria for alloy selection. This approach allowed rapid, albeit preliminary, screening of many thousands of alloys and identification of promising candidate compositions, some of which are reported in this paper, for more time intensive experimental validations and assessments.     

Deterministic and probabilistic ship pitch prediction using a multi-predictor integration model based on hybrid data preprocessing,reinforcement learning and improved QRNN

The deterministic and probabilistic prediction of ship motion is important for safe navigation and stable real-time operational control of ships at sea. However, the volatility and randomness of ship motion, the non-adaptive nature of single predictors and the poor coverage of quantile regression pose serious challenges to uncertainty prediction, making research in this field limited. In this paper, a multi-predictor integration model based on hybrid data preprocessing, reinforcement learning and improved quantile regression neural network (QRNN) is proposed to explore the deterministic and probabilistic prediction of ship pitch motion. To validate the performance of the proposed multi-predictor integrated prediction model, an experimental study is conducted with three sets of actual ship longitudinal motions during sea trials in the South China Sea. The experimental results indicate that the root mean square errors (RMSEs) of the proposed model of deterministic prediction are 0.0254°, 0.0359°, and 0.0188°, respectively. Taking series #2 as an example, the prediction interval coverage probabilities (PICPs) of the proposed model of probability predictions at 90%, 95%, and 99% confidence levels (CLs) are 0.9400, 0.9800, and 1.0000, respectively. This study signifies that the proposed model can provide trusted deterministic predictions and can effectively quantify the uncertainty of ship pitch motion, which has the potential to provide practical support for ship early warning systems.     

Effect of Si/Ti additions on physico-mechanical and chemical properties of FeNiCrCo high entropy alloys manufactured by powder metallurgy technique

FeNiCrCoSi_x and FeNiCrCoTi_x (x=0, 0.3, 0.6, and 0.9 wt.%) high entropy alloys (HEAs) were prepared via the powder metallurgy technique. A homogenous distribution of the elements in all alloys due to the formation of a solid solution phase is observed. The density and hardness of the prepared HEAs are improved by Si and Ti additions, compared to FeNiCrCo HEA. The wear rate of the prepared alloys was studied at different loads and the results indicate that the alloys that contain 0.3 wt.% Si and 0.9 wt.% Ti have the lowest wear rates. X-ray diffraction, SEM, and EDX were used to understand the phases, grain sizes, and microstructures in different investigated HEAs. The effects of Si and Ti content on the corrosion behavior and surface morphologies of sintered FeNiCrCoSi_x and FeNiCrCoTi_x HEAs were studied by immersion in H₂SO₄, HNO₃, and HCl solutions. Uniform corrosion and localized pitting are observed in different sizes in the corrosive media used. Because of the smaller pit size and the reduced pit density, the FeNiCrCoSi_0.3 HEA has an excellent microstructure.     

Exploring the Formation Mechanism of Deformation Twins in CrMnFeCoNi High Entropy Alloy

The deformation twins initiated in CrMnFeCoNi high entropy alloy at cryogenic temperature are experimentally studied. Under the external loading, a three-dimensional shear stress concentration originating from dislocation tangling at both the grain boundaries and twin boundaries could be formed, which promotes emission of partial dislocations from the planar defects and is thus considered to be the key factor for twin formation. A sympathetic nucleation mechanism is proposed to describe the nucleation behaviors of twins.     

Adaptive sampling strategy for characterizing spatial distribution of soil liquefaction potential using cone penetration test

Characterizing spatial distribution of soil liquefaction potential is critical for assessing liquefaction-related hazards (e.g. building damages caused by liquefaction-induced differential settlement). However, in engineering practice, soil liquefaction potential is usually measured at limited locations in a specific site using in situ tests, e.g. cone penetration tests (CPTs), due to the restrictions of time, cost and access to subsurface space. In these cases, liquefaction potential of soil at untested locations requires to be interpreted from limited measured data points using proper interpolation method, leading to remarkable statistical uncertainty in liquefaction assessment. This underlines an important question of how to optimize the locations of CPT soundings and determine the minimum number of CPTs for achieving a target reliability level of liquefaction assessment. To tackle this issue, this study proposes a smart sampling strategy for determining the minimum number of CPTs and their optimal locations in a self-adaptive and data-driven manner. The proposed sampling strategy leverages on information entropy and Bayesian compressive sampling (BCS). Both simulated and real CPT data are used to demonstrate the proposed method. Illustrative examples indicate that the proposed method can adaptively and sequentially select the required number and optimal locations of CPTs.     

Nb modified structural,magnetic and magnetocaloric properties of double perovskite Ba2FeMo1−xNbxO6

A systematic study focusing on the effect of Niobium (Nb) doping on the structural, magnetic and magnetocaloric properties of Ba₂FeMoO₆ samples is presented here. The samples of interest Ba₂FeMo_1?xNb_xO₆ (0 ≤ x ≤ 0.4) were prepared using the solid state reaction method and were confirmed to possess a cubic structure with Fm-3m space group using the X-ray diffraction analysis and Rietveld refinement. A second order of ferromagnetic phase transition was recorded in both the pure as well as the Nb doped samples using the temperature dependent magnetization and Arrott plots analysis. The pristine Ba₂FeMoO₆ (BFMO) sample indicated a spontaneous magnetization (34.6 emu/g at 100 K) with a relatively sharp magnetic transition at the Curie temperature (T_C) of 315 K as compared to the doped samples. A magnetic entropy change of 0.93 Jkg^?1K^?1 at an applied magnetic field of 2.5 T was measured for the pure BFMO sample. The doped BFMO samples with Mo partially substituted by Nb however, were observed to effectively modify the T_C accompanied by a decrease in magnetization. The results investigated in this work suggest that the magnetic and magnetocaloric properties of the BFMO can be tailored by controlled Nb doping which is of significant importance in order to realize the numerous potential applications of the material in the magnetic refrigeration technology.     

组合赋权的TOPSIS在冲击地压危险性评价中的应用

为了合理准确地评价煤矿冲击地压危险性,在现有评价冲击地压危险性实例的基础上,从煤矿地质因素和开采因素2个方面,选取10个主要的影响指标,利用熵权法和指标相关性权重法分别计算影响冲击地压危险性的各评价指标权重,再根据组合赋权的方法得出各指标的综合权重,构建基于逼近理想解理论的冲击地压危险性评价模型。以重庆砚石台煤矿为例,选取20组评价冲击地压危险性样本数据进行分析,确定评价冲击地压危险性的最优和最劣状况,然后计算出各个评价方案与最优和最劣状况的距离,最后综合最优与最劣距离,确定评价对象的相对贴近度。应用结果表明:评价结果与实际情况一致,且该模型相较其他模型的评价结果更加科学准确,表明该方法有良好的实用价值。     

A thermodynamically consistent framework for non-isothermal modelling of local heat generation and electromotive force in SOFC single electrodes

Mathematical models for single electrode reversible heat and non-isothermal electromotive force (EMF) of a solid oxide fuel cell (SOFC) are developed. These models estimate the volumetric reversible heat generation and EMF of electrochemical reactions, within each electrode at local conditions of temperature and pressure, based on entropy change of half reactions. The resulting equations are thermodynamically consistent. They inherently obey the conservation of energy law as the electrochemical energy released added to the heat of reactions at each electrode equate the enthalpy change of the reacted species. The equations are implemented to model electrodes in a tubular micro- solid oxide fuel cell (TμSOFC). The thermodynamic consistency of the model is numerically confirmed as the enthalpy of the reactants equates the electric energy released by the cell plus the sum of electrode heats plus electrolyte Ohmic heat. The effect of thermal gradients on the cell's overall EMF is found to be negligible. The reversible and irreversible heat generation of each electrode are distinguished. Overall, the anode is found to be endothermic, and the cathode exothermic.     

Study on the hydrogen storage properties of a TiZrNbTa high entropy alloy

High-entropy alloys (HEAs), as a new class of metallic materials, have received more and more attention due to its excellent mechanical properties. In this study, the hydrogen absorption properties, such as hydrogen absorption capacity, thermodynamics, kinetics and cyclic properties, as well as the hydride structure of a newly designed TiZrNbTa HEA were investigated. The results showed that multiple hydrides including ε-ZrH₂, ε-TiH₂ and β-(Nb,Ta)H were found in the TiZrNbTa HEA after hydrogenation. With the increase of temperature from 293 K to 493 K, the maximum hydrogen absorption capacity decreased from 1.67 wt% to 1.25 wt% and the plateau pressure related with β-(Nb,Ta)H hydrides increased from 1.6 kPa to 14.8 kPa. The formation enthalpy of β-(Nb,Ta)H hydride was determined to be −6.4 kJ/mol, which was less stable than that of NbH and TaH hydrides. The results also showed that the TiZrNbTa HEA exhibited a rapid hydrogen absorption kinetic even at the room temperature with a short incubation time, and the hydrogen absorption mechanism was determined to be the nucleation and growth mechanism. Moreover, the hydrogen absorption capacity at 293 K decreased slowly with the cycle numbers, and remained 86% capacity after 10 cycles. Cracking occurred after hydrogen absorption and became worse with cycles.     

基于动态模态分解的缸内流场演变及动能分析

采用高速粒子图像测速技术(particle image velocimetry,PIV)测量了一台直喷式光学发动机的缸内流场,利用动态模态分解(dynamic mode decomposition,DMD)算法,提取了发动机从进气冲程早期到压缩冲程后期中出现的多尺度涡团结构,量化了涡团的比动能在整个冲程阶段的衰减程度。结果表明:从进气冲程早期开始,缸内流场主要由低阶DMD模态表现的大尺度流场结构和高阶DMD模态表现的小尺度涡团结构组成;DMD模态的比动能变化可清楚地反映从大尺度流场结构到小尺度涡团的能量级联和耗散过程。同时还发现,与压缩冲程相比,进气冲程期间的流场可形成更多小尺度的涡团结构,并表现出更快的能量衰减特征,且该阶段流场能量衰减现象对发动机转速更加敏感。