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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Semi-analytical sensitivity analysis for nonlinear transient problems

Efficient analytical sensitivity computations are essential elements of gradient-based optimization schemes; however, they can be difficult to implement. This implementation issue is often resolved by adopting the semi-analytical method which exhibits the efficiency of the analytical methods and the ease of implementation of the finite difference method. However, care must be taken as semi-analytical sensitivities may exhibit errors due to truncation and round-off. Additional errors are introduced if the convergence tolerance of the primal analysis is not sufficiently small. This paper gives a general overview and some new developments of the analytical and semi-analytical sensitivity analyses for nonlinear steady-state, transient, and dynamic problems. We discuss the restrictive assumptions, accuracy, and consistency of these methods. Both adjoint and direct differentiation methods are studied. Numerical examples are provided.

42 ENGINEERING↗
DOE OSTI2015

Evolution of the deep Atlantic water masses since the last glacial maximum based on a transient run of NCAR-CCSM3

During the last deglaciation (from approximately 21 to 11 thousand years ago), the high latitudes of the Atlantic Ocean underwent major changes. Besides the continuous warming, the polar and subpolar ocean surface received a large amount of meltwater from the retracting ice sheets. These changes in temperature and salinity affected deep waters, such as the Antarctic Bottom Water (AABW) and the North Atlantic Deep Water (NADW), which are formed in the Southern Ocean and in the northern North Atlantic, respectively. In this study, we present the evolution of the physical properties and distribution of the AABW and the NADW since the last glacial maximum using the results of a transient simulation with NCAR-CCSM3. In this particular model scenario with a schematic freshwater forcing, we find that modern NADW, with its characteristic salinity maximum at depth, was absent in the beginning of the deglaciation, while its intermediate version—Glacial North Atlantic Intermediate Water (GNAIW)—was being formed. GNAIW was a cold and relatively fresh water mass that dominated intermediate depths between 60 and 20°N. At this time, most of the deep and abyssal Atlantic basin was dominated by AABW. Within the onset of the Bølling-Allerød period, at nearly 15 thousand years ago (ka), GNAIW expanded southwards when the simulated Meridional Overturning Circulation overshoots. The transition between GNAIW and NADW ocurred after that, when AABW was fresh enough to allow NADW to sink deeper in the water column. When the NADW appears (~11 ka), AABW retracts and is constrained to lie near the bottom.

Meteorology & Atmospheric Sciences↗
DOE OSTI2017

Assessing anthropogenic impacts on limited water resources under semi-arid conditions: three-dimensional transient regional modelling in Jordan

Both increasing aridity and population growth strongly stress freshwater resources in semi-arid areas such as Jordan. The country’s second largest governorate, Irbid, with over 1 million inhabitants, is already suffering from an annual water deficit of 25 million cubic meters (MCM). The population is expected to double within the next 20 years. Even without the large number of refugees from Syria, the deficit will likely increase to more then 50 MCM per year by 2035 The Governorate’s exclusive resource is groundwater, abstracted by the extensive Al Arab and Kufr Asad well fields. This study presents the first three-dimensional transient regional groundwater flow model of the entire Wadi al Arab to answer important questions regarding the dynamic quality and availability of water within the catchment. Emphasis is given to the calculation and validation of the dynamic groundwater recharge, derived from a multi-proxy approach, including (1) a hydrological model covering a 30-years dataset, (2) groundwater level measurements and (3) information about springs. The model enables evaluation of the impact of abstraction on the flow regime and the groundwater budget of the resource. Sensitivity analyses of controlling parameters indicate that intense abstraction in the southern part of the Wadi al Arab system can result in critical water-level drops of 10 m at a distance of 16 km from the production wells. Moreover, modelling results suggest that observed head fluctuations are strongly controlled by anthropogenic abstraction rather than variable recharge rates due to climate changes.

58 GEOSCIENCES↗
DOE OSTI2019

Snapshot transient absorption spectroscopy: toward in vivo investigations of nonphotochemical quenching mechanisms

Although the importance of nonphotochemical quenching (NPQ) on photosynthetic biomass production and crop yields is well established, the in vivo operation of the individual mechanisms contributing to overall NPQ is still a matter of controversy. In order to investigate the timescale and activation dynamics of specific quenching mechanisms, we have developed a technique called snapshot transient absorption (TA) spectroscopy, which can monitor molecular species involved in the quenching response with a time resolution of 30 s. Using intact thylakoid membrane samples, we show in this study how conventional TA kinetic and spectral analyses enable the determination of the appropriate wavelength and time delay for snapshot TA experiments. As an example, we show how the chlorophyll-carotenoid charge transfer and excitation energy transfer mechanisms can be monitored based on signals corresponding to the carotenoid (Car) radical cation and Car S1 excited state absorption, respectively. The use of snapshot TA spectroscopy together with the previously reported fluorescence lifetime snapshot technique provides valuable information such as the concurrent appearance of specific quenching species and overall quenching of excited Chl. Furthermore, we show that the snapshot TA technique can be successfully applied to completely intact photosynthetic organisms such as live cells of Nannochloropsis. This demonstrates that the snapshot TA technique is a valuable method for tracking the dynamics of intact samples that evolve over time, such as the photosynthetic system in response to high-light exposure.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Transient-Liquid-Phase Bonding of H230 Ni-Based Alloy Using Ni-P Interlayer: Microstructure and Mechanical Properties

Transient-liquid-phase bonding using Ni-P as an interlayer has been developed for H230 Ni-Cr-W solid-solution-strengthened Ni-based alloy. Two process parameters—composition of the interlayer and bonding time—have been varied to optimize the mechanical properties. H230 has been bonded into two sets of stacks (set I and II) for 8 and 4 hours using Ni-12P and Ni-6P interlayer, respectively, (wt pct) at 1423 K (1150 °C) and 12.7 MPa. The microstructure of both the stacks has three distinct regions—the joint centerline which showed the presence of pores, an isothermally solidified zone (ISZ) which did not have any carbide precipitates and base H230. Transmission electron microscopy and atom probe tomography showed a uniform microstructure, and an absence of any deleterious phases at the joint and in ISZ. Set I and set II had a yield strength of 76 and 86 pct of that of the H230 sheet, tested at 1023 K (750 °C). Here, the measured elongation at fracture was negligible, but the fracture surfaces revealed a ductile cup-and-cone-type fracture occurring through the ISZ/joint region. Examination of broken tensile samples revealed that the plastic strain was constrained to within one joint region through which fracture occurred.

14 SOLAR ENERGY↗
DOE OSTI2017

Effect of Joining Atmosphere in Transient Liquid Phase Bonding of Inconel 617 Superalloy

In the present paper, transient liquid phase (TLP) bonding of Inconel 617 alloy under the different furnace atmospheres of vacuum, argon gas, and air was investigated. The experiments were carried out at 1408 K (1135 °C) for 300 minutes by using BNi-1 filler metals with different thicknesses of 50 and 100 µm. The microstructure, chemical analysis, shear strength, and microhardness of the resultant joints were studied. After 300 minutes, complete isothermal solidification was obtained for both the interlayers having 50 and 100 µm thicknesses under all the furnace atmospheres. The specimens bonded under vacuum condition showed the highest shear strength, failure energy, and ductility. Also, the joint produced under argon gas atmosphere using 100-µm-thick filler metal showed a good strength and may be acceptable in many applications. However, the specimens bonded under air atmosphere were weak, due to their further cavities and non-dissolved carbides. The presence of non-dissolved carbides in the diffusion-affected zone resulted in increasing the hardness of the base metal near the interface. The carbides were dissolved and the hardness of the diffusion-affected zone was reduced under vacuum condition compared to argon and air atmospheres. The best result was obtained for the specimen joined using the 50-µm-thick interlayer under vacuum atmosphere, with about 95.8 pct joint efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Sulfur in Steel on Transient Evolution of Inclusions During Calcium Treatment

In the current study, the effect of S content in the molten steel on inclusions during calcium treatment was studied using an induction furnace. The calcium in steel decreased from 48 to 2 ppm, and the sulfur in steel changed a little with time. When sulfur content in steel was as low as 25 ppm during calcium treatment, inclusions shifted from CaO-Al{sub 2}O{sub 3}-CaS to Al{sub 2}O{sub 3}-CaO with about 35 pct CaO. When the sulfur increased over 90 ppm, more CaS-CaO formed just after the addition of calcium, and then the CaS content decreased from over 45 pct to lower than 15 pct and inclusions were mostly Al{sub 2}O{sub 3}-CaO-CaS and Al{sub 2}O{sub 3}-CaO with a high Al{sub 2}O{sub 3} content. Thermodynamic calculation predicted the variation of the composition of inclusions, indicating good agreement with the measurement, while a certain deviation existed, especially for heats with 90 and 180 ppm sulfur. A reaction model was proposed for the formation of CaO and CaS, which considered the reaction between calcium vapor bubbles in the zone and the dissolved oxygen and sulfur in the molten steel, as described by a Langmuir-type adsorption isotherm with a reaction occurring on the remaining vacant sites. The variation of transient CaS inclusions was discussed based on the thermodynamic calculation and the morphology evolution of typical inclusions containing CaS.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Transient Evolution of Nonmetallic Inclusions During Calcium Treatment of Molten Steel

The transient evolution of nonmetallic inclusions after calcium addition in pipeline steels was investigated with a vacuum induction furnace. Samples were taken at 1, 5, 10, 15, and 20 minutes after calcium treatment in both MgO and Al{sub 2}O{sub 3} crucibles. It was found that the total oxygen and the number density of inclusions were increased during calcium modification, while they were dropped to a low level in the last tapped sample. Due to the evaporation of calcium, inclusions were transferred from CaO-CaS to Al{sub 2}O{sub 3}-CaO-CaS, and then to Al{sub 2}O{sub 3}-CaO. The decomposition of CaS was highly dependent on the decrease of the total calcium and the increase of the total oxygen in the steel. Thermodynamic calculation was performed to predict the composition of inclusions considering the effect of the total oxygen and the total calcium and was validated by measurement. The relationship between the content of Al{sub 2}O{sub 3} in inclusions and the ratio of the total calcium and the total oxygen in steels was measured and compared with the calculated one using thermodynamic software Factsage 7.0. The mass-transfer coefficient of the dissolved calcium in the steel was estimated in the range of 2.35 × 10{sup −4} to 3.53 × 10{sup −4} m/s.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Transient Interaction Between Reduction and Slagging Reactions of Wustite in Simulated Cohesive Zone of Blast Furnace

The blast furnace cohesive zone plays an important role in the gas flow distribution and heat-transfer efficiency. Previous work mainly employed temperature-based indices to evaluate and predict the shape and thickness of the cohesive zone, whereas the internal reactions and related effects on the softening and melting properties of a complex burden are ignored. In this study, an innovative index, namely, shrinkage rate (SR), is first proposed to directly estimate the shrinkage behavior of wustite (FeO)-packed bed inside a simulated cohesive zone. The index is applied as the temperature increases to elucidate the transient interaction between reduction and slagging reactions. Results show that the thermally induced slagging reaction causes the packed bed to shrink at lower temperature, and the SR doubles when compounds with low melting temperature are generated by adding a reasonable concentration of CaO or SiO{sub 2}. The reduction reaction becomes the driving force during the shrinkage of the packed bed between 1173 K and 1273 K when CO is introduced in the mixture gas. Then, the dominating factors for further shrinkage include slagging, reduction, or both factors. These factors vary with respect to the added compounds or temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Understanding of Void Formation in Cu/Sn-Sn/Cu System During Transient Liquid Phase Bonding Process Through Diffusion Modeling

Transient Liquid Phase (TPL) bounding of Sn foil sandwiched between two Cu foils involves, in the temperature range above the melting point of Sn (232 °C) and below 350 °C, the formation and the growth of two intermetallic compounds (IMCs) Cu{sub 6}Sn{sub 5} and Cu{sub 3}Sn and mostly unintended micro-pores. The present study aims to analyze the mechanism of void development during the soldering process through an experimental and modeling approach of diffusion-controlled IMC transformation. This modeling couples the diffusion process and the interface motion with the volume shrinkage induced by the difference of partial molar volumes of atoms between each phase. We also consider two types of inter-diffusion transports: (i) inter-diffusion based on the exchange of Cu and Sn atoms and (ii) inter-diffusion of Sn atoms with vacancies allowing Kirkendall void formation. The simulations of IMC growth performed correspond to a sequence of planar phase layers, where the distinctive scallop morphology of the Cu{sub 6}Sn{sub 5} layer is described through an analytical function allowing to quantify the grain boundary diffusion pathway. We take into account of the volume diffusion mechanism for Cu{sub 3}Sn intermetallic. For Cu{sub 6}Sn{sub 5} intermetallic two mechanisms are considered, volume diffusion and grain boundary diffusion, limited by grain growth. The simulations of IMC growth kinetics, for different transport scenarios, are compared to the experimental evolving morphologies to determine the most likely mechanism of micro-void formation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Nozzle Port Angle on Transient Flow and Surface Slag Behavior During Continuous Steel-Slab Casting

Undesirable flow variations can cause severe instabilities at the interface between liquid mold flux and molten steel across the mold top-region during continuous steel casting, resulting in surface defects in the final products. A three-dimensional Large Eddy Simulation (LES) model using the volume of fluid method for the slag and molten steel phases is validated with plant measurements, and applied to gain new insights into the effects of nozzle port angle on transient flow, top slag/steel interface movement, and slag behavior during continuous slab casting under nominally steady conditions. Upward-angled ports produce a single-roll flow pattern with lower surface velocity, due to rapid momentum dissipation of the spreading jet. However, strong jet wobbling from the port leads to greater interface variations. Severe level drops allow easy entrapment of liquid flux by the solidifying steel shell at the meniscus. Sudden level rises may also be detrimental, leading to overflow of the solidified meniscus region. Downward-angled ports produce a classic double-roll pattern with less jet turbulence and a more stable interface everywhere except near the narrow faces. Finally, the flow patterns, surface velocity, and level predicted from the validated LES model are compared with steady-state standard k-ε model predictions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Calculation Accuracy and Efficiency of a Transient Model for Submerged Entry Nozzle Clogging

A transient numerical model was proposed and validated by the current authors for nozzle clogging (Barati et al. in Powder Technol 329:181-98, 2018). The model can reproduce the experiment in pilot scale satisfactorily. In the present article, the main objective is to validate the model for application in industry process continuous casting of steel, referring to the model accuracy and calculation efficiency. The results have shown that for the complex geometry of submerged entry nozzle (SEN), where it is difficult to create hexahedron mesh in the entire domain, a mixed mesh type is recommended, i.e., the wedge mesh for regions adjacent to SEN walls and the tetrahedron mesh for inner regions. Another challenge to the calculation of real SEN clogging is the huge number of particles involved in the industry process. An artificial factor, the N-factor, has to be introduced to reduce the calculation cost. A dimensionless number (α) is defined to limit the N-factor and ensure the modeling accuracy. Simulation of a test case has indicated that by an appropriate N-factor (1000, corresponding to α = 6 × 10{sup −5}), the calculation time would be reduced significantly to a reasonable time.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Ladle Changeover Condition on Transient Three-Phase Flow in a Five-Strand Bloom Casting Tundish

The transient three-phase flow behavior in a five-strand bloom casting tundish during the ladle changeover process considering a constant casting speed was investigated by the VOF model, and the effect of ladle throughput rate, shroud immersion depth, turbulence inhibitor structure and ladle changeover time on the turbulent flow, and level fluctuations during the filling process were analyzed to optimize the flow pattern in the tundish during ladle changeover. The results showed that the exposed area of molten steel in the impact zone increases as the ladle throughput rate increases during the filling process and that the exposure of molten steel is eliminated when the ladle throughput rate is 1.5Q{sub steady}. As the immersion depth of the shroud increases, a slight decrease in slag entrainment happens, while the exposed area of molten steel first decreases and then increases. The shroud immersion depth should be 310 mm. When the optimized turbulence inhibitor is used, the wave crests of the steel level are greatly reduced, the height of the level fluctuation is alleviated with the maximum value decreasing from 33 mm to approximately 10 mm, and the exposure of molten steel is eliminated. When the ladle changeover time is between 2 and 3 minutes, the exposed area of molten steel during the stable period of the filling process is in the range from 150 to 170 cm{sup 2}, which is substantially less than the exposed area of 500 cm{sup 2} when the ladle changeover time is 4 minutes. Therefore, the ladle changeover time should be controlled within 3 minutes. The flaw detection disqualification rate caused by ladle changeover operation is decreased from 43.8 to 25.8 pct of the total disqualified steel rails after optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Abnormal Transient Liquid Phase Bondability of High-Volume Fraction SiC Particle-Reinforced A356 Composite for Cu Interlayer and the Interlayer Improvement Routes

Features of transient liquid phase (TLP) bondability of high-volume fraction (70 vol.%) SiC particle-reinforced A356 composite for popular Cu interlayer were investigated. Although Cu foil was melted, molten Cu was completely expulsed, indicating that the numerous SiC particles significantly deteriorated wettability not only at particle/braze metal (P/M) interface, but also at the matrix/braze metal (M/M) interface. For the reason of poor wettability at P/M interface, a model showing there is a “window period” for actual wetting reaction (allowing liquid phase to be in contact with surficial SiC particles) much shorter than nominal isothermal solidification time during TLP bonding of the composite containing sintered ceramic preform was proposed. For the poor wettability at M/M interface, both size effect of too small matrix unit (2 ~ 20 μm) and restraint effect of the rigid porous ceramic preform on suppressing oxide film crack on the small matrix unit surface were proposed. Thus, chemical route to disrupt oxide film on the small matrix unit surface should be preferred in braze composition design. For example, Al-27Cu-5Si-2Mg-1Ti braze was developed by co-addition of Mg and Ti to improve wettability and to in situ reinforce bond seam, respectively; Ti also could remedy Mg loss for improving wettability.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Transient dynamics of powder spattering in laser powder bed fusion additive manufacturing process revealed by in-situ high-speed high-energy x-ray imaging

Powder spattering is a major cause of defect formation and quality uncertainty in the laser powder bed fusion (LPBF) additive manufacturing (AM) process. It is very difficult to investigate this with either conventional characterization tools or modeling and simulation. The detailed dynamics of powder spattering in the LPBF are still not fully understood. Here, we report insights into the transient dynamics of powder spattering in the LPBF process that were observed with in-situ high-speed high-energy x-ray imaging. Powder motion dynamics, as functions of time, environment pressure, and location, are presented. The moving speed, acceleration, and driving force of powder motion that are induced by metal vapor jet/plume and argon gas flow are quantified. A schematic map showing the dynamics and mechanisms of powder motion during the LPBF process as functions of time and pressure is constructed. In conclusion, potential ways to mitigate powder spattering during the LPBF process are discussed and proposed, based on the revealed powder motion dynamics and mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Transient solute drag and strain aging of dislocations

The transient drag force exerted by mobile solutes on a moving dislocation is computed using continuum theory. These mobile solutes form so-called Cottrell atmospheres around dislocations during static and dynamic strain aging. We evaluate the evolution of the drag force exerted by the atmosphere under two velocity time-histories: impulsive acceleration to a chosen velocity and a constant acceleration rate. A particular focus is on the conditions under which the stationary limit assumed by theories of dynamic strain aging is obeyed. According to our results, two conditions—one on the dislocation velocity and one on the acceleration rate—must be satisfied for the stationary limit to hold. Using the Orowan relation and a line tension model, we obtain estimates for the temperature, stress, strain rate, and dislocation density regimes where the stationary limit is valid, and compare these results with experiments for a few material systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermal diffusivity recovery and defect annealing kinetics of self-ion implanted tungsten probed by insitu transient grating spectroscopy

Tungsten is a promising candidate material for plasma-facing armour components in future fusion reactors. A key concern is irradiation-induced degradation of its normally excellent thermal transport properties. In this comprehensive study, thermal diffusivity degradation in ion-implanted tungsten and its evolution from room temperature (RT) to 1073 K is considered. Five samples were exposed to 20 MeV self-ions at RT to achieve damage levels ranging from 3.2 x 10 -4 to 3.2 displacements per atom (dpa). Transient grating spectroscopy with in-situ heating was then used to study thermal diffusivity evolution as a function of temperature. Using a kinetic theory model, an equivalent point defect density is estimated from the measured thermal diffusivity. The results showed a prominent recovery of thermal diffusivity between 450 K and 650 K, which coincides with the onset of mono-vacancy mobility. After 1073 K annealing samples with initial damage of 3.2 x 10 -3 dpa or less recover close to the pristine value of thermal diffusivity. For doses of 3.2 x 10 -2 dpa or higher, on the other hand, a residual reduction in thermal diffusivity remains even after 1073 K annealing. Transmission electron microscopy reveals that this is associated with extended, irradiation-induced dislocation structures that are retained after annealing. A sensitivity analysis shows that thermal diffusivity provides an efficient tool for the assessing total defect content in tungsten up to 1000 K.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transient nature of fast relaxation in metallic glass

Metallic glasses exhibit fast mechanical relaxations at temperatures well below the glass transition, one of which shows little variation with temperature known as nearly constant loss (NCL). Despite the important implications of this phenomenon to deformation, the origin of the relaxation is unclear. Through molecular dynamics simulations of a model metallic glass, Cu 64.5 Zr 35.5 , we implement molecular dynamics dynamical mechanical spectroscopy (MD-DMS) with system stress decomposed into atomic-level stresses to identify the group of atoms responsible for NCL. This work demonstrates that NCL relaxation is due to transient groups of atoms that revert to the typical atomic-level viscoelastic behavior over picosecond timescales. They are homogenously distributed throughout the glass and have no outstanding features, rather than having defect-like local structure as previously reported.

36 MATERIALS SCIENCE↗