Stability of Retained Austenite in High-Al, Low-Si TRIP-Assisted Steels Processed via Continuous Galvanizing Heat Treatments

NASA Astrophysics Data System (ADS)

McDermid, J. R.; Zurob, H. S.; Bian, Y.

2011-12-01

Two galvanizable high-Al, low-Si transformation-induced plasticity (TRIP)-assisted steels were subjected to isothermal bainitic transformation (IBT) temperatures compatible with the continuous galvanizing (CGL) process and the kinetics of the retained austenite (RA) to martensite transformation during room temperature deformation studied as a function of heat treatment parameters. It was determined that there was a direct relationship between the rate of strain-induced transformation and optimal mechanical properties, with more gradual transformation rates being favored. The RA to martensite transformation kinetics were successfully modeled using two methodologies: (1) the strain-based model of Olsen and Cohen and (2) a simple relationship with the normalized flow stress, ( {{{σ_{{flow}} - σ_{YS} }/{σ_{YS }}}} ) . For the strain-based model, it was determined that the model parameters were a strong function of strain and alloy thermal processing history and a weak function of alloy chemistry. It was verified that the strain-based model in the present work agrees well with those derived by previous workers using TRIP-assisted steels of similar composition. It was further determined that the RA to martensite transformation kinetics for all alloys and heat treatments could be described using a simple model vs the normalized flow stress, indicating that the RA to martensite transformation is stress-induced rather than strain-induced for temperatures above the Ms^{σ }.

Estimation of Enthalpy of Formation of Liquid Transition Metal Alloys: A Modified Prescription Based on Macroscopic Atom Model of Cohesion

NASA Astrophysics Data System (ADS)

Raju, Subramanian; Saibaba, Saroja

2016-09-01

The enthalpy of formation Δo H f is an important thermodynamic quantity, which sheds significant light on fundamental cohesive and structural characteristics of an alloy. However, being a difficult one to determine accurately through experiments, simple estimation procedures are often desirable. In the present study, a modified prescription for estimating Δo H f L of liquid transition metal alloys is outlined, based on the Macroscopic Atom Model of cohesion. This prescription relies on self-consistent estimation of liquid-specific model parameters, namely electronegativity ( ϕ L) and bonding electron density ( n b L ). Such unique identification is made through the use of well-established relationships connecting surface tension, compressibility, and molar volume of a metallic liquid with bonding charge density. The electronegativity is obtained through a consistent linear scaling procedure. The preliminary set of values for ϕ L and n b L , together with other auxiliary model parameters, is subsequently optimized to obtain a good numerical agreement between calculated and experimental values of Δo H f L for sixty liquid transition metal alloys. It is found that, with few exceptions, the use of liquid-specific model parameters in Macroscopic Atom Model yields a physically consistent methodology for reliable estimation of mixing enthalpies of liquid alloys.

Growth of Pt/Cu(100): An Atomistic Modeling Comparison with the Pd/Cu(100) Surface Alloy

NASA Technical Reports Server (NTRS)

Demarco, Gustavo; Garces, Jorge E.; Bozzolo, Guillermo

2002-01-01

The Bozzolo, Ferrante, and Smith (BFS) method for alloys is applied to the study of Pt deposition on Cu(100). The formation of a Cu-Pt surface alloy is discussed within the framework of previous results for Pd/Cu(100). In spite of the fact that both Pd and Pt share the same basic behavior when deposited on Cu, it is seen that subtle differences become responsible for the differences in growth observed at higher cover-ages. In agreement with experiment, all the main features of Pt/Cu(100) and Pd/Cu(100) are obtained by means of a simple modeling scheme, and explained in terms of a few basic ingredients that emerge from the BFS analysis.

New interatomic potential for Mg–Al–Zn alloys with specific application to dilute Mg-based alloys

NASA Astrophysics Data System (ADS)

Dickel, Doyl E.; Baskes, Michael I.; Aslam, Imran; Barrett, Christopher D.

2018-06-01

Because of its very large c/a ratio, zinc has proven to be a difficult element to model using semi-empirical classical potentials. It has been shown, in particular, that for the modified embedded atom method (MEAM), a potential cannot simultaneously have an hcp ground state and c/a ratio greater than ideal. As an alloying element, however, useful zinc potentials can be generated by relaxing the condition that hcp be the lowest energy structure. In this paper, we present a MEAM zinc potential, which gives accurate material properties for the pure state, as well as a MEAM ternary potential for the Mg–Al–Zn system which will allow the atomistic modeling of a wide class of alloys containing zinc. The effects of zinc in simple Mg–Zn for this potential is demonstrated and these results verify the accuracy for the new potential in these systems.

MoNbTaV Medium-Entropy Alloy

DOE PAGES

Yao, Hongwei; Qiao, Jun -Wei; Gao, Michael; ...

2016-05-19

Guided by CALPHAD (Calculation of Phase Diagrams) modeling, the refractory medium-entropy alloy MoNbTaV was synthesized by vacuum arc melting under a high-purity argon atmosphere. A body-centered cubic solid solution phase was experimentally confirmed in the as-cast ingot using X-ray diffraction and scanning electron microscopy. The measured lattice parameter of the alloy (3.208 Å) obeys the rule of mixtures (ROM), but the Vickers microhardness (4.95 GPa) and the yield strength (1.5 GPa) are about 4.5 and 4.6 times those estimated from the ROM, respectively. Using a simple model on solid solution strengthening predicts a yield strength of approximately 1.5 GPa. Inmore » conclusion, thermodynamic analysis shows that the total entropy of the alloy is more than three times the configurational entropy at room temperature, and the entropy of mixing exhibits a small negative departure from ideal mixing.« less

Directionally Solidified Aluminum - 7 wt% Silicon Alloys: Comparison of Earth and International Space Station Processed Samples

NASA Technical Reports Server (NTRS)

Grugel, Richard N,; Tewari, Surendra; Rajamure, R. S.; Erdman, Robert; Poirier, David

2012-01-01

Primary dendrite arm spacings of Al-7 wt% Si alloy directionally solidified in low gravity environment of space (MICAST-6 and MICAST-7: Thermal gradient approx. 19 to 26 K/cm, Growth speeds varying from 5 to 50 microns/s show good agreement with the Hunt-Lu model. Primary dendrite trunk diameters of the ISS processed samples show a good fit with a simple analytical model based on Kirkwood s approach, proposed here. Natural convection, a) decreases primary dendrite arm spacing. b) appears to increase primary dendrite trunk diameter.

Characterization of zinc alloy by sheet bulging test with analytical models and digital image correlation

NASA Astrophysics Data System (ADS)

Vitu, L.; Laforge, N.; Malécot, P.; Boudeau, N.; Manov, S.; Milesi, M.

2018-05-01

Zinc alloys are used in a wide range of application such as electronics, automotive and building construction. Their various shapes are generally obtained by metal forming operation such as stamping. Therefore, it is important to characterize the material with adequate characterization tests. Sheet Bulging Test (SBT) is well recognized in the metal forming community. Different theoretical models of the literature for the evaluation of thickness and radius of the deformed sheet in SBT have been studied in order to get the hardening curve of different materials. These theoretical models present the advantage that the experimental procedure is very simple. But Koç et al. showed their limitation, since the combination of thickness and radius evaluations depend on the material. As Zinc alloys are strongly anisotropic with a special crystalline structure, a procedure is adopted for characterizing the hardening curve of a Zinc alloy. The anisotropy is first studied with tensile test, and SBT with elliptical dies is also investigated. Parallel to this, Digital Image Correlation (DIC) measures are carried out. The results obtained from theoretical models and DIC measures are compared. Measures done on post-mortem specimens complete the comparisons. Finally, DIC measures give better results and the resulting hardening curve of the studied zinc alloy is provided.

Isoelectronic substitutions and aluminium alloying in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

NASA Astrophysics Data System (ADS)

von Rohr, Fabian O.; Cava, Robert J.

2018-03-01

High-entropy alloys (HEAs) are a new class of materials constructed from multiple principal elements statistically arranged on simple crystallographic lattices. Due to the large amount of disorder present, they are excellent model systems for investigating the properties of materials intermediate between crystalline and amorphous states. Here we report the effects of systematic isoelectronic replacements, using Mo-Y, Mo-Sc, and Cr-Sc mixtures, for the valence electron count 4 and 5 elements in the body-centered cubic (BCC) Ta-Nb-Zr-Hf-Ti high-entropy alloy (HEA) superconductor. We find that the superconducting transition temperature Tc strongly depends on the elemental makeup of the alloy, and not exclusively its electron count. The replacement of niobium or tantalum by an isoelectronic mixture lowers the transition temperature by more than 60%, while the isoelectronic replacement of hafnium, zirconium, or titanium has a limited impact on Tc. We further explore the alloying of aluminium into the nearly optimal electron count [TaNb] 0.67(ZrHfTi) 0.33 HEA superconductor. The electron count dependence of the superconducting Tc for (HEA)Al x is found to be more crystallinelike than for the [TaNb] 1 -x(ZrHfTi) x HEA solid solution. For an aluminum content of x =0.4 the high-entropy stabilization of the simple BCC lattice breaks down. This material crystallizes in the tetragonal β -uranium structure type and superconductivity is not observed above 1.8 K.

COSP - A computer model of cyclic oxidation

NASA Technical Reports Server (NTRS)

Lowell, Carl E.; Barrett, Charles A.; Palmer, Raymond W.; Auping, Judith V.; Probst, Hubert B.

1991-01-01

A computer model useful in predicting the cyclic oxidation behavior of alloys is presented. The model considers the oxygen uptake due to scale formation during the heating cycle and the loss of oxide due to spalling during the cooling cycle. The balance between scale formation and scale loss is modeled and used to predict weight change and metal loss kinetics. A simple uniform spalling model is compared to a more complex random spall site model. In nearly all cases, the simpler uniform spall model gave predictions as accurate as the more complex model. The model has been applied to several nickel-base alloys which, depending upon composition, form Al2O3 or Cr2O3 during oxidation. The model has been validated by several experimental approaches. Versions of the model that run on a personal computer are available.

A study of the vacancy loop formation probability in Ni-Cu and Ag-Pd alloys. [50-keV Kr sup + ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smalinskas, K.; Chen, Gengsheng; Haworth, J.

1992-04-01

The molten-zone model of vacancy loop formation from a displacement cascade predicts that the loop formation probability should scale with the melting temperature. To investigate this possibility the vacancy loop formation probability has been determined in a series of Cu-Ni and Ag-Pd alloys. The irradiations were performed at room temperature with 50 keV Kr+ ions and the resulting damage structure was examined by using transmission electron microscopy. In the Cu-Ni alloy series, the change in loop formation probability with increasing Ni concentration was complex, and at low- and high- nickel concentrations, the defect yield did not change in the predictedmore » manner. The defect yield was higher in the Cu-rich alloys than in the Ni-rich alloys. In the Ag-Pd alloy the change in the loop formation probability followed more closely the change in melting temperature, but no simple relationship was determined.« less

Interfacial layers in high-temperature-oxidized NiCrAl

NASA Technical Reports Server (NTRS)

Larson, L. A.; Browning, R.; Poppa, H.; Smialek, J.

1983-01-01

The utility of Auger electron spectroscopy combined with ball cratering for depth analysis of oxide and diffusion layers produced in a Ni-14Cr-24Al alloy by oxidation in air at 1180 C for 25 hr is demonstrated. During postoxidation cooling, the oxide layers formed by this alloy spalled profusely. The remaining very thin oxide was primarily Cr2O3 with a trace of Ni. The underlying metal substrate exhibited gamma/gamma-prime and beta phases with a metallic interfacial layer which was similar to the bulk gamma/gamma-prime phase but slightly enriched in Cr and Al. These data are compared to electron microprobe results from a nominally identical alloy. The diffusion layer thickness is modelled with a simple mass balance equation and compared to recent results on the diffusion process in NiCrAl alloys.

Understanding the Cu-Zn brass alloys using a short-range-order cluster model: significance of specific compositions of industrial alloys

PubMed Central

Hong, H. L.; Wang, Q.; Dong, C.; Liaw, Peter K.

2014-01-01

Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn α-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu12]Zn1~6 and [Zn-Cu12](Zn,Cu)6, which explain the α-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent the 1st-neighbor cluster, and each cluster is matched with one to six 2nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1st- and 2nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. The revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, thus offering a fundamental and practical method towards composition interpretations of all kinds of alloys. PMID:25399835

Understanding the Cu-Zn brass alloys using a short-range-order cluster model: Significance of specific compositions of industrial alloys

DOE PAGES

Hong, H. L.; Wang, Q.; Dong, C.; ...

2014-11-17

Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn α-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu 12]Zn 1~6 and [Zn-Cu 12](Zn,Cu) 6, which explain the α-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent themore » 1 st-neighbor cluster, and each cluster is matched with one to six 2 nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1 st- and 2 nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. As a result, the revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, thus offering a fundamental and practical method towards composition interpretations of all kinds of alloys.« less

Effects of alloy composition on cyclic flame hot-corrosion attack of cast nickel-base superalloys at 900 deg C

NASA Technical Reports Server (NTRS)

Deadmore, D. L.

1984-01-01

The effects of Cr, Al, Ti, Mo, Ta, Nb, and W content on the hot corrosion of nickel base alloys were investigated. The alloys were tested in a Mach 0.3 flame with 0.5 ppmw sodium at a temperature of 900 C. One nondestructive and three destructive tests were conducted. The best corrosion resistance was achieved when the Cr content was 12 wt %. However, some lower-Cr-content alloys ( 10 wt%) exhibited reasonable resistance provided that the Al content alloys ( 10 wt %) exhibited reasonable resistance provided that the Al content was 2.5 wt % and the Ti content was Aa wt %. The effect of W, Ta, Mo, and Nb contents on the hot-corrosion resistance varied depending on the Al and Ti contents. Several commercial alloy compositions were also tested and the corrosion attack was measured. Predicted attack was calculated for these alloys from derived regression equations and was in reasonable agreement with that experimentally measured. The regression equations were derived from measurements made on alloys in a one-quarter replicate of a 2(7) statistical design alloy composition experiment. These regression equations represent a simple linear model and are only a very preliminary analysis of the data needed to provide insights into the experimental method.

Nonlinear behavior during NO2 hydrogenation on a nanosized Pt-Rh catalyst sample

NASA Astrophysics Data System (ADS)

Barroo, Cédric; De Decker, Yannick; Jacobs, Luc; de Bocarmé, Thierry Visart

2017-08-01

Automotive pollution control crucially relies on the reactivity of metal alloy catalysts. Understanding how the chemistry of an alloy compares with that of pure metals forms a decisive step towards the rational development of applied formulations of such catalysts. In this context, we studied the hydrogenation of NO2 on Pt-Rh catalysts at the nanoscale with field emission microscopy (FEM). Previous studies have shown the presence of complex reaction kinetics at the surface of Pt for this reaction, including periodic oscillations at 390 K. As we briefly show here, similar kinetics can also be observed on Rh at higher temperatures. The alloy samples (Pt-17.4 at.%Rh) show signs of important reactivity and associated nonlinear dynamics in an intermediate temperature range. In particular, at 425 K isothermal oscillations are observed on this specific alloy catalyst. The role of the alloy composition on the window of reactivity is explained with a simple theoretical model for the kinetics of the reaction.

Monte Carlo simulation of magnetic properties of mixed spin (3/2, 1) ferromagnetic and ferrimagnetic disordered binary alloys with amorphous structure

NASA Astrophysics Data System (ADS)

Motlagh, H. Nakhaei; Rezaei, G.

2018-01-01

Monte Carlo simulation is used to study the magnetic properties of mixed spin (3/2, 1) disordered binary alloys on simple cubic, hexagonal and amorphous magnetic ultra-thin films with 18 × 18 × 2 atoms. To this end, at the first approximation, the exchange coupling interaction between the spins is considered as a constant value and at the second one, the Ruderman-Kittel-Kasuya-Yosida (RKKY) model is used. Effects of concentration, structure, exchange interaction, single ion-anisotropy and the film size on the magnetic properties of disordered ferromagnetic and ferrimagnetic binary alloys are investigated. Our results indicate that the spontaneous magnetization and critical temperatures of rare earth-3d transition binary alloys are affected by these parameters. It is also found that in the ferrimagnetic state, the compensation temperature (Tcom) and the magnetic rearrangement temperature (TR) appear for some concentrations.

Nonlocal torque operators in ab initio theory of the Gilbert damping in random ferromagnetic alloys

NASA Astrophysics Data System (ADS)

Turek, I.; Kudrnovský, J.; Drchal, V.

2015-12-01

We present an ab initio theory of the Gilbert damping in substitutionally disordered ferromagnetic alloys. The theory rests on introduced nonlocal torques which replace traditional local torque operators in the well-known torque-correlation formula and which can be formulated within the atomic-sphere approximation. The formalism is sketched in a simple tight-binding model and worked out in detail in the relativistic tight-binding linear muffin-tin orbital method and the coherent potential approximation (CPA). The resulting nonlocal torques are represented by nonrandom, non-site-diagonal, and spin-independent matrices, which simplifies the configuration averaging. The CPA-vertex corrections play a crucial role for the internal consistency of the theory and for its exact equivalence to other first-principles approaches based on the random local torques. This equivalence is also illustrated by the calculated Gilbert damping parameters for binary NiFe and FeCo random alloys, for pure iron with a model atomic-level disorder, and for stoichiometric FePt alloys with a varying degree of L 10 atomic long-range order.

Torsional Properties of TiNi Shape Memory Alloy Tape for Rotary Actuator

NASA Astrophysics Data System (ADS)

Takeda, K.; Tobushi, H.; Mitsui, K.; Nishimura, Y.; Miyamoto, K.

2012-12-01

In order to develop novel shape memory actuators, the torsional deformation of a shape memory alloy (SMA) tape and the actuator models driven by the tape were investigated. The results obtained can be summarized as follows. In the SMA tape subjected to torsion, the martensitic transformation appears along both edges of the tape due to elongation of these elements and grows to the central part. The fatigue life in both the pulsating torsion and alternating torsion is expressed by the unified relationship of the dissipated work in each cycle. Based on an opening and closing door model and a solar-powered active blind model, the two-way rotary driving actuator with a small and simple mechanism can be developed by using torsion of the SMA tape.

The behaviour of stacking fault energy upon interstitial alloying.

PubMed

Lee, Jee-Yong; Koo, Yang Mo; Lu, Song; Vitos, Levente; Kwon, Se Kyun

2017-09-11

Stacking fault energy is one of key parameters for understanding the mechanical properties of face-centered cubic materials. It is well known that the plastic deformation mechanism is closely related to the size of stacking fault energy. Although alloying is a conventional method to modify the physical parameter, the underlying microscopic mechanisms are not yet clearly established. Here, we propose a simple model for determining the effect of interstitial alloying on the stacking fault energy. We derive a volumetric behaviour of stacking fault energy from the harmonic approximation to the energy-lattice curve and relate it to the contents of interstitials. The stacking fault energy is found to change linearly with the interstitial content in the usual low concentration domain. This is in good agreement with previously reported experimental and theoretical data.

Nonlinear Thermoelastic Model for SMAs and SMA Hybrid Composites

NASA Technical Reports Server (NTRS)

Turner, Travis L.

2004-01-01

A constitutive mathematical model has been developed that predicts the nonlinear thermomechanical behaviors of shape-memory-alloys (SMAs) and of shape-memory-alloy hybrid composite (SMAHC) structures, which are composite-material structures that contain embedded SMA actuators. SMAHC structures have been investigated for their potential utility in a variety of applications in which there are requirements for static or dynamic control of the shapes of structures, control of the thermoelastic responses of structures, or control of noise and vibrations. The present model overcomes deficiencies of prior, overly simplistic or qualitative models that have proven ineffective or intractable for engineering of SMAHC structures. The model is sophisticated enough to capture the essential features of the mechanics of SMAHC structures yet simple enough to accommodate input from fundamental engineering measurements and is in a form that is amenable to implementation in general-purpose structural analysis environments.

Surface tension and density of Si-Ge melts

NASA Astrophysics Data System (ADS)

Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz

2014-06-01

In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.

Interdigitated Eutectic Alloy Foil Anodes for Rechargeable Batteries

DOE PAGES

Kreder, III, Karl J.; Heligman, Brian T.; Manthiram, Arumugam

2017-09-19

An interdigitated eutectic alloy (IdEA) foil is presented as a framework for the development of alloy anodes with a capacity that is significantly higher than that of the traditional graphite/copper assembly. In conclusion, it is a simple, low-cost approach that can be applied to a broad range of alloy systems with various working ions such as Li, Na, or Mg.

Elastic modulus of phases in Ti–Mo alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Wei-dong; Liu, Yong, E-mail: yonliu11@aliyun.com; Wu, Hong

2015-08-15

In this work, a series of binary Ti–Mo alloys with the Mo contents ranging from 3.2 to 12 at.% were prepared using non-consumable arc melting. The microstructures were investigated by X-ray diffraction and transmission electron microscope, and the elastic modulus was evaluated by nanoindentation testing technique. The evolution of the volume fractions of ω phase was investigated using X-ray photoelectron spectroscopy. The results indicated that the phase constitution and elastic modulus of the Ti–Mo alloys are sensitive to the Mo content. Ti–3.2Mo and Ti–8Mo alloys containing only α and β phases, respectively, have a low elastic modulus. In contrast, Ti–4.5Mo,more » Ti–6Mo, Ti–7Mo alloys, with different contents of ω phase, have a high elastic modulus. A simple micromechanical model was used to calculate the elastic modulus of ω phase (E{sub ω}), which was determined to be 174.354 GPa. - Highlights: • Ti–Mo alloys with the Mo contents ranging from 3.2 to 12 at.% were investigated. • XPS was used to investigate the volume fractions of ω phase. • The elastic modulus of Ti–Mo alloys is sensitive to the Mo content. • The elastic modulus of ω phase was determined to be 174.354 GPa.« less

New Mechanistic Models of Long Term Evolution of Microstructure and Mechanical Properties of Nickel Based Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kruzic, Jamie J.; Evans, T. Matthew; Greaney, P. Alex

The report describes the development of a discrete element method (DEM) based modeling approach to quantitatively predict deformation and failure of typical nickel based superalloys. A series of experimental data, including microstructure and mechanical property characterization at 600°C, was collected for a relatively simple, model solid solution Ni-20Cr alloy (Nimonic 75) to determine inputs for the model and provide data for model validation. Nimonic 75 was considered ideal for this study because it is a certified tensile and creep reference material. A series of new DEM modeling approaches were developed to capture the complexity of metal deformation, including cubic elasticmore » anisotropy and plastic deformation both with and without strain hardening. Our model approaches were implemented into a commercially available DEM code, PFC3D, that is commonly used by engineers. It is envisioned that once further developed, this new DEM modeling approach can be adapted to a wide range of engineering applications.« less

Unification of the phonon mode behavior in semiconductor alloys: Theory and ab initio calculations

NASA Astrophysics Data System (ADS)

Pagès, O.; Postnikov, A. V.; Kassem, M.; Chafi, A.; Nassour, A.; Doyen, S.

2008-03-01

We demonstrate how to overcome serious problems in understanding and classification of vibration spectra in semiconductor alloys, following from traditional use of the virtual crystal approximation (VCA). We show that such different systems as InGaAs (1- bond→1 -mode behavior), InGaP (modified 2-mode), and ZnTeSe (2- bond→1 -mode) obey, in fact, the same phonon mode behavior—hence probably a universal one—of a percolation type (1- bond→2 -mode). The change of paradigm from the “VCA insight” (an averaged microscopic one) to the “percolation insight” (a mesoscopic one) offers a promising link toward the understanding of alloy disorder. The discussion is supported by ab initio simulation of the phonon density of states at the zone center of representative supercells at intermediary composition (ZnTeSe) and at the impurity-dilute limits (all systems). In particular, we propose a simple ab initio “protocol” to estimate the basic input parameters of our semiempirical “percolation” model for the calculation of the 1- bond→2 -mode vibration spectra of zinc blende alloys. With this, the model turns self-sufficient.

A microwave assisted one-pot route synthesis of bimetallic PtPd alloy cubic nanocomposites and their catalytic reduction for 4-nitrophenol

NASA Astrophysics Data System (ADS)

Zhang, Jian; Gan, Wei; Fu, Xucheng; Hao, Hequn

2017-10-01

We herein report a simple, rapid, and eco-friendly chemical route to the one-pot synthesis of bimetallic PtPd alloy cubic nanocomposites under microwave irradiation. During this process, water was employed as an environmentally benign solvent, while dimethylformamide served as a mild reducing agent, and polyvinylpyrrolidone was used as both a dispersant and a stabilizer. The structure, morphology, and composition of the resulting alloy nanocomposites were examined by x-ray diffraction, transmission electron microscopy, and energy dispersive x-ray spectroscopy. A detailed study was then carried out into the catalytic activity of the PtPd nanocomposites with a Pt:Pd molar ratio of 50:50 in the reduction of 4-nitrophenol (4-NP) by sodium borohydride as a model reaction. Compared with pristine Pt and Pd monometallic nanoparticles (PtNPs and PdNPs), the bimetallic PtPd alloy nanocomposites exhibited enhanced catalytic activities and were readily recyclable in the reduction of 4-NP due to synergistic effects.

Fabrication of silicon-based shape memory alloy micro-actuators

NASA Technical Reports Server (NTRS)

Johnson, A. David; Busch, John D.; Ray, Curtis A.; Sloan, Charles L.

1992-01-01

Thin film shape memory alloy has been integrated with silicon in a new actuation mechanism for microelectromechanical systems. This paper compares nickel-titanium film with other actuators, describes recent results of chemical milling processes developed to fabricate shape memory alloy microactuators in silicon, and describes simple actuation mechanisms which have been fabricated and tested.

Modeling transport phenomena and uncertainty quantification in solidification processes

NASA Astrophysics Data System (ADS)

Fezi, Kyle S.

Direct chill (DC) casting is the primary processing route for wrought aluminum alloys. This semicontinuous process consists of primary cooling as the metal is pulled through a water cooled mold followed by secondary cooling with a water jet spray and free falling water. To gain insight into this complex solidification process, a fully transient model of DC casting was developed to predict the transport phenomena of aluminum alloys for various conditions. This model is capable of solving mixture mass, momentum, energy, and species conservation equations during multicomponent solidification. Various DC casting process parameters were examined for their effect on transport phenomena predictions in an alloy of commercial interest (aluminum alloy 7050). The practice of placing a wiper to divert cooling water from the ingot surface was studied and the results showed that placement closer to the mold causes remelting at the surface and increases susceptibility to bleed outs. Numerical models of metal alloy solidification, like the one previously mentioned, are used to gain insight into physical phenomena that cannot be observed experimentally. However, uncertainty in model inputs cause uncertainty in results and those insights. The analysis of model assumptions and probable input variability on the level of uncertainty in model predictions has not been calculated in solidification modeling as yet. As a step towards understanding the effect of uncertain inputs on solidification modeling, uncertainty quantification (UQ) and sensitivity analysis were first performed on a transient solidification model of a simple binary alloy (Al-4.5wt.%Cu) in a rectangular cavity with both columnar and equiaxed solid growth models. This analysis was followed by quantifying the uncertainty in predictions from the recently developed transient DC casting model. The PRISM Uncertainty Quantification (PUQ) framework quantified the uncertainty and sensitivity in macrosegregation, solidification time, and sump profile predictions. Uncertain model inputs of interest included the secondary dendrite arm spacing, equiaxed particle size, equiaxed packing fraction, heat transfer coefficient, and material properties. The most influential input parameters for predicting the macrosegregation level were the dendrite arm spacing, which also strongly depended on the choice of mushy zone permeability model, and the equiaxed packing fraction. Additionally, the degree of uncertainty required to produce accurate predictions depended on the output of interest from the model.

Influences of post weld heat treatment on tensile strength and microstructure characteristics of friction stir welded butt joints of AA2014-T6 aluminum alloy

NASA Astrophysics Data System (ADS)

Rajendran, C.; Srinivasan, K.; Balasubramanian, V.; Balaji, H.; Selvaraj, P.

2016-08-01

Friction stir welded (FSWed) joints of aluminum alloys exhibited a hardness drop in both the advancing side (AS) and retreating side (RS) of the thermo-mechanically affected zone (TMAZ) due to the thermal cycle involved in the FSW process. In this investigation, an attempt has been made to overcome this problem by post weld heat treatment (PWHT) methods. FSW butt (FSWB) joints of Al-Cu (AA2014-T6) alloy were PWHT by two methods such as simple artificial aging (AA) and solution treatment followed by artificial aging (STA). Of these two treatments, STA was found to be more beneficial than the simple aging treatment to improve the tensile properties of the FSW joints of AA2014 aluminum alloy.

Synthesis and Mechanical Characterization of Binary and Ternary Intermetallic Alloys Based on Fe-Ti-Al by Resonant Ultrasound Vibrational Methods.

PubMed

Chanbi, Daoud; Ogam, Erick; Amara, Sif Eddine; Fellah, Z E A

2018-05-07

Precise but simple experimental and inverse methods allowing the recovery of mechanical material parameters are necessary for the exploration of materials with novel crystallographic structures and elastic properties, particularly for new materials and those existing only in theory. The alloys studied herein are of new atomic compositions. This paper reports an experimental study involving the synthesis and development of methods for the determination of the elastic properties of binary (Fe-Al, Fe-Ti and Ti-Al) and ternary (Fe-Ti-Al) intermetallic alloys with different concentrations of their individual constituents. The alloys studied were synthesized from high purity metals using an arc furnace with argon flow to ensure their uniformity and homogeneity. Precise but simple methods for the recovery of the elastic constants of the isotropic metals from resonant ultrasound vibration data were developed. These methods allowed the fine analysis of the relationships between the atomic concentration of a given constituent and the Young’s modulus or alloy density.

Synthesis and Mechanical Characterization of Binary and Ternary Intermetallic Alloys Based on Fe-Ti-Al by Resonant Ultrasound Vibrational Methods

PubMed Central

Chanbi, Daoud; Amara, Sif Eddine; Fellah, Z. E. A.

2018-01-01

Precise but simple experimental and inverse methods allowing the recovery of mechanical material parameters are necessary for the exploration of materials with novel crystallographic structures and elastic properties, particularly for new materials and those existing only in theory. The alloys studied herein are of new atomic compositions. This paper reports an experimental study involving the synthesis and development of methods for the determination of the elastic properties of binary (Fe-Al, Fe-Ti and Ti-Al) and ternary (Fe-Ti-Al) intermetallic alloys with different concentrations of their individual constituents. The alloys studied were synthesized from high purity metals using an arc furnace with argon flow to ensure their uniformity and homogeneity. Precise but simple methods for the recovery of the elastic constants of the isotropic metals from resonant ultrasound vibration data were developed. These methods allowed the fine analysis of the relationships between the atomic concentration of a given constituent and the Young’s modulus or alloy density. PMID:29735946

Charge-density-shear-moduli relationships in aluminum-lithium alloys.

PubMed

Eberhart, M

2001-11-12

Using the first principles full-potential linear-augmented-Slater-type orbital technique, the energies and charge densities of aluminum and aluminum-lithium supercells have been computed. The experimentally observed increase in aluminum's shear moduli upon alloying with lithium is argued to be the result of predictable changes to aluminum's total charge density, suggesting that simple rules may allow the alloy designer to predict the effects of dilute substitutional elements on alloy elastic response.

Phase-Field Modeling of Sigma-Phase Precipitation in 25Cr7Ni4Mo Duplex Stainless Steel

NASA Astrophysics Data System (ADS)

Malik, Amer; Odqvist, Joakim; Höglund, Lars; Hertzman, Staffan; Ågren, John

2017-10-01

Phase-field modeling is used to simulate the formation of sigma phase in a model alloy mimicking a commercial super duplex stainless steel (SDSS) alloy, in order to study precipitation and growth of sigma phase under linear continuous cooling. The so-called Warren-Boettinger-McFadden (WBM) model is used to build the basis of the multiphase and multicomponent phase-field model. The thermodynamic inconsistency at the multiple junctions associated with the multiphase formulation of the WBM model is resolved by means of a numerical Cut-off algorithm. To make realistic simulations, all the kinetic and the thermodynamic quantities are derived from the CALPHAD databases at each numerical time step, using Thermo-Calc and TQ-Interface. The credibility of the phase-field model is verified by comparing the results from the phase-field simulations with the corresponding DICTRA simulations and also with the empirical data. 2D phase-field simulations are performed for three different cooling rates in two different initial microstructures. A simple model for the nucleation of sigma phase is also implemented in the first case. Simulation results show that the precipitation of sigma phase is characterized by the accumulation of Cr and Mo at the austenite-ferrite and the ferrite-ferrite boundaries. Moreover, it is observed that a slow cooling rate promotes the growth of sigma phase, while a higher cooling rate restricts it, eventually preserving the duplex structure in the SDSS alloy. Results from the phase-field simulations are also compared quantitatively with the experiments, performed on a commercial 2507 SDSS alloy. It is found that overall, the predicted morphological features of the transformation and the composition profiles show good conformity with the empirical data.

Modeling of full-Heusler alloys within tight-binding approximation: Case study of Fe2MnAl

NASA Astrophysics Data System (ADS)

Azhar, A.; Majidi, M. A.; Nanto, D.

2017-07-01

Heusler alloys have been known for about a century, and predictions of magnetic moment values using Slater-Pauling rule have been successful for many such materials. However, such a simple counting rule has been found not to always work for all Heusler alloys. For instance, Fe2CuAl has been found to have magnetic moment of 3.30 µB per formula unit although the Slater-Pauling rule suggests the value of 2 µB. On the other hand, a recent experiment shows that a non-stoichiometric Heusler compound Fe2Mn0.5Cu0.5Al possesses magnetic moment of 4 µB, closer to the Slater-Pauling prediction for the stoichiometric compound. Such discrepancies signify that the theory to predict the magnetic moment of Heusler alloys in general is still far from being complete. Motivated by this issue, we propose to do a theoretical study on a full-Heusler alloy Fe2MnAl to understand the formation of magnetic moment microscopically. We model the system by constructing a density-functional-theory-based tight-binding Hamiltonian and incorporating Hubbard repulsive as well as spin-spin interactions for the electrons occupying the d-orbitals. Then, we solve the model using Green's function approach, and treat the interaction terms within the mean-field approximation. At this stage, we aim to formulate the computational algorithm for the overall calculation process. Our final goal is to compute the total magnetic moment per unit cell of this system and compare it with the experimental data.

The surface-induced spatial-temporal structures in confined binary alloys

NASA Astrophysics Data System (ADS)

Krasnyuk, Igor B.; Taranets, Roman M.; Chugunova, Marina

2014-12-01

This paper examines surface-induced ordering in confined binary alloys. The hyperbolic initial boundary value problem (IBVP) is used to describe a scenario of spatiotemporal ordering in a disordered phase for concentration of one component of binary alloy and order parameter with non-linear dynamic boundary conditions. This hyperbolic model consists of two coupled second order differential equations for order parameter and concentration. It also takes into account effects of the “memory” on the ordering of atoms and their densities in the alloy. The boundary conditions characterize surface velocities of order parameter and concentration changing which is due to surface (super)cooling on walls confining the binary alloy. It is shown that for large times there are three classes of dynamic non-linear boundary conditions which lead to three different types of attractor’s elements for the IBVP. Namely, the elements of attractor are the limit periodic simple shock waves with fronts of “discontinuities” Γ. If Γ is finite, then the attractor contains spatiotemporal functions of relaxation type. If Γ is infinite and countable then we observe the functions of pre-turbulent type. If Γ is infinite and uncountable then we obtain the functions of turbulent type.

Single-Phase Concentrated Solid-Solution Alloys: Bridging Intrinsic Transport Properties and Irradiation Resistance

DOE PAGES

Jin, Ke; Bei, Hongbin

2018-04-30

Single-phase concentrated solid-solution alloys (SP-CSAs), including high entropy alloys (HEAs), are compositionally complex but structurally simple, and provide a playground of tailoring material properties through modifying their compositional complexity. The recent progress in understanding the compositional effects on the energy and mass transport properties in a series of face-centered-cubic SP-CSAs is the focus of this review. Relatively low electrical and thermal conductivities, as well as small separations between the interstitial and vacancy migration barriers have been generally observed, but largely depend on the alloying constituents. We further discuss the impact of such intrinsic transport properties on their irradiation response; themore » linkage to the delayed damage accumulation, slow defect aggregation, and suppressed irradiation induced swelling and segregation has been presented. We emphasize that the number of alloying elements may not be a critical factor on both transport properties and the defect behaviors under ion irradiations. Furthermore, the recent findings have stimulated novel concepts in the design of new radiation-tolerant materials, but further studies are demanded to enable predictive models that can quantitatively bridge the transport properties to the radiation damage.« less

Single-Phase Concentrated Solid-Solution Alloys: Bridging Intrinsic Transport Properties and Irradiation Resistance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Ke; Bei, Hongbin

Single-phase concentrated solid-solution alloys (SP-CSAs), including high entropy alloys (HEAs), are compositionally complex but structurally simple, and provide a playground of tailoring material properties through modifying their compositional complexity. The recent progress in understanding the compositional effects on the energy and mass transport properties in a series of face-centered-cubic SP-CSAs is the focus of this review. Relatively low electrical and thermal conductivities, as well as small separations between the interstitial and vacancy migration barriers have been generally observed, but largely depend on the alloying constituents. We further discuss the impact of such intrinsic transport properties on their irradiation response; themore » linkage to the delayed damage accumulation, slow defect aggregation, and suppressed irradiation induced swelling and segregation has been presented. We emphasize that the number of alloying elements may not be a critical factor on both transport properties and the defect behaviors under ion irradiations. Furthermore, the recent findings have stimulated novel concepts in the design of new radiation-tolerant materials, but further studies are demanded to enable predictive models that can quantitatively bridge the transport properties to the radiation damage.« less

Bulk and surface properties of liquid Al-Cr and Cr-Ni alloys.

PubMed

Novakovic, R

2011-06-15

The energetics of mixing and structural arrangement in liquid Al-Cr and Cr-Ni alloys has been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the framework of statistical mechanical theory in conjunction with quasi-lattice theory. The Al-Cr phase diagram exhibits the existence of different intermetallic compounds in the solid state, while that of Cr-Ni is a simple eutectic-type phase diagram at high temperatures and includes the low-temperature peritectoid reaction in the range near a CrNi(2) composition. Accordingly, the mixing behaviour in Al-Cr and Cr-Ni alloy melts was studied using the complex formation model in the weak interaction approximation and by postulating Al(8)Cr(5) and CrNi(2) chemical complexes, respectively, as energetically favoured.

Ignition and combustion of aluminum/magnesium alloy particles in O2 at high pressures

NASA Technical Reports Server (NTRS)

Roberts, Ted A.; Burton, Rodney L.; Krier, Herman

1993-01-01

The ignition and combustion of Al, Mg, and Al/Mg alloy particles in 99 percent O2/1 percent N2 mixtures is investigated at high temperatures and pressures for rocket engine applications. The 20-micron particles contain 0, 5, 10, 20, 40, 60, 80, and 100 wt pct Mg alloyed with Al, and are ignited in oxygen using the reflected shock in a single-pulse shock tube near the endwall. Using this technique, the ignition delay and combustion times of the particles are measured at temperatures up to 3250 K as a function of Mg content for oxygen pressures of 8.5, 17, and 34 atm. An ignition model is developed that employs a simple lumped capacitance energy equation and temperature and pressure dependent particle and gas properties. Good agreement is achieved between the measured and predicted trends in the ignition delay times.

Compositional redistribution in alloy films under high-voltage electron microscope irradiation

NASA Astrophysics Data System (ADS)

Lam, Nghi Q.; Leaf, O. K.; Minkoff, M.

1983-10-01

The problem of nonequilibrium segregation in alloy films under high-voltage electron microscope (HVEM) irradiation at elevated temperatures is re-examined in the present work, taking into account the damage-rate gradients caused by radial variation in the electron flux. Axial and radial compositional redistributions in model solid solutions, representative of concentrated Ni-Cu, Ni-Al and Ni-Si alloys, were calculated as a function of time, temperature, and film thickness, using a kinetic theory of segregation in binary alloys. The numerical results were achieved by means of a new software package (DISPL2) for solving convection-diffusion-kinetics problems with general orthogonal geometries. It was found that HVEM irradiation-induced segregation in thin films consists of two stages. Initially, due to the proximity of the film surfaces as sinks for point defects, the usual axial segregation (to surfaces) occurs at relatively short irradiation times, and rapidly attains quasi-steady state. Then, radial segregation becomes more and more competitive, gradually affecting the kinetics of axial segregation. At a given temperature, the buildup time to steady state is much longer in the present situation than in the simple case of one-dimensional segregation with uniform defect production. Changes in the alloy composition occur in a much larger zone than the irradiated volume. As a result, the average alloy composition within the irradiated region can differ greatly from that of the unirradiated alloy. The present calculations may be useful in the interpretation of the kinetics of certain HVEM irradiation-induced processes in alloys.

Enhanced photomechanical response of a Ni-Ti shape memory alloy coated with polymer-based photothermal composites

NASA Astrophysics Data System (ADS)

Perez-Zúñiga, M. G.; Sánchez-Arévalo, F. M.; Hernández-Cordero, J.

2017-10-01

A simple way to enhance the activation of shape memory effects with light in a Ni-Ti alloy is demonstrated. Using polydimethylsiloxane-carbon nanopowder (PDMS+CNP) composites as coatings, the one-way shape memory effect (OWSME) of the alloy can be triggered using low power IR light from a laser diode. The PDMS+CNP coatings serve as photothermal materials capable to absorb light, and subsequently generate and dissipate heat in a highly efficient manner, thereby reducing the optical powers required for triggering the OWSME in the Ni-Ti alloy. Experimental results with a cantilever flexural test using both, bare Ni-Ti and coated samples, show that the PDMS+CNP coatings perform as thermal boosters, and therefore the temperatures required for phase transformation in the alloy can be readily obtained with low laser powers. It is also shown that the two-way shape memory effect (TWSME) can be set in the Ni-Ti alloy through cycling the TWSME by simply modulating the laser diode signal. This provides a simple means for training the material, yielding a light driven actuator capable to provide forces in the mN range. Hence, the use of photothermal coatings on Ni-Ti shape memory alloys may offer new possibilities for developing light-controlled smart actuators.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aron-Dine, S.; Pomrehn, G. S.; Pribram-Jones, A.

Two quaternary Heusler alloys, equiatomic CuNiMnAl and CuNiMnSn, are studied using density functional theory to understand their tendency for atomic disorder on the lattice and the magnetic effects of disorder. Disordered structures with antisite defects of atoms of the same and different sublattices are considered, with the level of atomic disorder ranging from 3% to 25%. Formation energies and magnetic moments are calculated relative to the ordered ground state and combined with a simple thermodynamical model to estimate temperature effects. We predict the relative levels of disordering in the two equiatomic alloys with good correlation to experimental x-ray diffraction results.more » In conclusion, the effect of swaps involving Mn is also discussed.« less

Removing function model and experiments on ultrasonic polishing molding die

NASA Astrophysics Data System (ADS)

Huang, Qitai; Ni, Ying; Yu, Jingchi

2010-10-01

Low temperature glass molding technology is the main method on volume-producing high precision middle and small diameter optical cells in the future. While the accuracy of the molding die will effect the cell precision, so the high precision molding die development is one of the most important part of the low temperature glass molding technology. The molding die is manufactured from high rigid and crisp metal alloy, with the ultrasonic vibration character of high vibration frequency and concentrative energy distribution; abrasive particles will impact the rigid metal alloy surface with very high speed that will remove the material from the work piece. Ultrasonic can make the rigid metal alloy molding die controllable polishing and reduce the roughness and surface error. Different from other ultrasonic fabrication method, untouched ultrasonic polishing is applied on polish the molding die, that means the tool does not touch the work piece in the process of polishing. The abrasive particles vibrate around the balance position with high speed and frequency under the drive of ultrasonic vibration in the liquid medium and impact the workspace surface, the energy of abrasive particles come from ultrasonic vibration, while not from the direct hammer blow of the tool. So a nummular vibrator simple harmonic vibrates on an infinity plane surface is considered as a model of ultrasonic polishing working condition. According to Huygens theory the sound field distribution on a plane surface is analyzed and calculated, the tool removing function is also deduced from this distribution. Then the simple point ultrasonic polishing experiment is proceeded to certificate the theory validity.

A simple spectrophotometric method for determination of zirconium or hafnium in selected molybdenum-base alloys

NASA Technical Reports Server (NTRS)

Dupraw, W. A.

1972-01-01

A simple analytical procedure is described for accurately and precisely determining the zirconium or hafnium content of molybdenum-base alloys. The procedure is based on the reaction of the reagent Arsenazo III with zirconium or hafnium in strong hydrochloric acid solution. The colored complexes of zirconium or hafnium are formed in the presence of molybdenum. Titanium or rhenium in the alloy have no adverse effect on the zirconium or hafnium complex at the following levels in the selected aliquot: Mo, 10 mg; Re, 10 mg; Ti, 1 mg. The spectrophotometric measurement of the zirconium or hafnium complex is accomplished without prior separation with a relative standard deviation of 1.3 to 2.7 percent.

Unraveling the Age Hardening Response in U-Nb Alloys

DOE PAGES

Hackenberg, Robert Errol; Hemphill, Geralyn M. Sewald; Forsyth, Robert Thomas; ...

2016-11-15

Complicating factors that have stymied understanding of uranium-niobium’s aging response are briefly reviewed, including (1) niobium inhomogeneity, (2) machining damage effects on tensile properties, (3) early-time transients of ductility increase, and (4) the variety of phase transformations. A simple Logistic-Arrhenius model was applied to predict yield and ultimate tensile strengths and tensile elongation of U-4Nb as a function of thermal age. Lastly, fits to each model yielded an apparent activation energy that was compared with phase transformation mechanisms.

Ultrahigh Charpy impact toughness (~450J) achieved in high strength ferrite/martensite laminated steels

PubMed Central

Cao, Wenquan; Zhang, Mingda; Huang, Chongxiang; Xiao, Shuyang; Dong, Han; Weng, Yuqing

2017-01-01

Strength and toughness are a couple of paradox as similar as strength-ductility trade-off in homogenous materials, body-centered-cubic steels in particular. Here we report a simple way to get ultrahigh toughness without sacrificing strength. By simple alloying design and hot rolling the 5Mn3Al steels in ferrite/austenite dual phase temperature region, we obtain a series of ferrite/martensite laminated steels that show up-to 400–450J Charpy V-notch impact energy combined with a tensile strength as high as 1.0–1.2 GPa at room temperature, which is nearly 3–5 times higher than that of conventional low alloy steels at similar strength level. This remarkably enhanced toughness is mainly attributed to the delamination between ferrite and martensite lamellae. The current finding gives us a promising way to produce high strength steel with ultrahigh impact toughness by simple alloying design and hot rolling in industry. PMID:28150692

Ultrahigh Charpy impact toughness (~450J) achieved in high strength ferrite/martensite laminated steels

NASA Astrophysics Data System (ADS)

Cao, Wenquan; Zhang, Mingda; Huang, Chongxiang; Xiao, Shuyang; Dong, Han; Weng, Yuqing

2017-02-01

Strength and toughness are a couple of paradox as similar as strength-ductility trade-off in homogenous materials, body-centered-cubic steels in particular. Here we report a simple way to get ultrahigh toughness without sacrificing strength. By simple alloying design and hot rolling the 5Mn3Al steels in ferrite/austenite dual phase temperature region, we obtain a series of ferrite/martensite laminated steels that show up-to 400-450J Charpy V-notch impact energy combined with a tensile strength as high as 1.0-1.2 GPa at room temperature, which is nearly 3-5 times higher than that of conventional low alloy steels at similar strength level. This remarkably enhanced toughness is mainly attributed to the delamination between ferrite and martensite lamellae. The current finding gives us a promising way to produce high strength steel with ultrahigh impact toughness by simple alloying design and hot rolling in industry.

Efficient Workflows for Curation of Heterogeneous Data Supporting Modeling of U-Nb Alloy Aging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ward, Logan Timothy; Hackenberg, Robert Errol

These are slides from a presentation summarizing a graduate research associate's summer project. The following topics are covered in these slides: data challenges in materials, aging in U-Nb Alloys, Building an Aging Model, Different Phase Trans. in U-Nb, the Challenge, Storing Materials Data, Example Data Source, Organizing Data: What is a Schema?, What does a "XML Schema" look like?, Our Data Schema: Nice and Simple, Storing Data: Materials Data Curation System (MDCS), Problem with MDCS: Slow Data Entry, Getting Literature into MDCS, Staging Data in Excel Document, Final Result: MDCS Records, Analyzing Image Data, Process for Making TTT Diagram, Bottleneckmore » Number 1: Image Analysis, Fitting a TTP Boundary, Fitting a TTP Curve: Comparable Results, How Does it Compare to Our Data?, Image Analysis Workflow, Curating Hardness Records, Hardness Data: Two Key Decisions, Before Peak Age? - Automation, Interactive Viz, Which Transformation?, Microstructure-Informed Model, Tracking the Entire Process, General Problem with Property Models, Pinyon: Toolkit for Managing Model Creation, Tracking Individual Decisions, Jupyter: Docs and Code in One File, Hardness Analysis Workflow, Workflow for Aging Models, and conclusions.« less

Kinetic Monte Carlo Simulations of Rod Eutectics and the Surface Roughening Transition in Binary Alloys

NASA Technical Reports Server (NTRS)

Bentz, Daniel N.; Betush, William; Jackson, Kenneth A.

2003-01-01

In this paper we report on two related topics: Kinetic Monte Carlo simulations of the steady state growth of rod eutectics from the melt, and a study of the surface roughness of binary alloys. We have implemented a three dimensional kinetic Monte Carlo (kMC) simulation with diffusion by pair exchange only in the liquid phase. Entropies of fusion are first chosen to fit the surface roughness of the pure materials, and the bond energies are derived from the equilibrium phase diagram, by treating the solid and liquid as regular and ideal solutions respectively. A simple cubic lattice oriented in the {100} direction is used. Growth of the rods is initiated from columns of pure B material embedded in an A matrix, arranged in a close packed array with semi-periodic boundary conditions. The simulation cells typically have dimensions of 50 by 87 by 200 unit cells. Steady state growth is compliant with the Jackson-Hunt model. In the kMC simulations, using the spin-one Ising model, growth of each phase is faceted or nonfaceted phases depending on the entropy of fusion. There have been many studies of the surface roughening transition in single component systems, but none for binary alloy systems. The location of the surface roughening transition for the phases of a eutectic alloy determines whether the eutectic morphology will be regular or irregular. We have conducted a study of surface roughness on the spin-one Ising Model with diffusion using kMC. The surface roughness was found to scale with the melting temperature of the alloy as given by the liquidus line on the equilibrium phase diagram. The density of missing lateral bonds at the surface was used as a measure of surface roughness.

Solute segregation kinetics and dislocation depinning in a binary alloy

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2015-06-01

Static strain aging, a phenomenon caused by diffusion of solute atoms to dislocations, is an important contributor to the strength of substitutional alloys. Accurate modeling of this complex process requires both atomic spatial resolution and diffusional time scales, which is very challenging to achieve with commonly used atomistic computational methods. In this paper, we use the recently developed "diffusive molecular dynamics" (DMD) method that is capable of describing the kinetics of the solute segregation process at the atomic level while operating on diffusive time scales in a computationally efficient way. We study static strain aging in the Al-Mg system and calculate the depinning shear stress between edge and screw dislocations and their solute atmospheres formed for various waiting times with different solute content and for a range of temperatures. A simple phenomenological model is also proposed that describes the observed behavior of the critical shear stress as a function of segregation level.

C-Curves for Lengthening of Widmanstätten and Bainitic Ferrite

NASA Astrophysics Data System (ADS)

Yin, Jiaqing; Leach, Lindsay; Hillert, Mats; Borgenstam, Annika

2017-09-01

Widmanstätten ferrite and bainitic ferrite are both acicular and their lengthening rate in binary Fe-C alloys and low-alloyed steels under isothermal conditions is studied by searching the literature and through new measurements. As a function of temperature, the lengthening rate can be represented by a common curve for both kinds of acicular ferrite in contrast to the separate C-curves often presented in time-temperature-transformation (TTT) diagrams. The curves for Fe-C alloys with low carbon content show no obvious decrease in rate at low temperatures down to 623 K (350 °C). For alloys with higher carbon content, the expected decrease of rate as a function of temperature below a nose was observed. An attempt to explain the absence of a nose for low carbon contents by an increasing deviation from local equilibrium at high growth rates is presented. This explanation is based on a simple kinetic model, which predicts that the growth rates for Fe-C alloys with less than 0.3 mass pct carbon are high enough at low temperatures to make the carbon pileup, in front of the advancing tip of a ferrite plate, shrink below atomic dimensions, starting at about 600 K (323 °C).

Influence of silicon on friction and wear of iron-cobalt alloys

NASA Technical Reports Server (NTRS)

Buckley, D. H.; Brainard, W. A.

1972-01-01

Sliding friction and wear experiments were conducted with ternary ordered alloys of iron and cobalt containing various amounts of silicon to 5 weight percent. The friction and wear of these alloys were compared to those for binary iron-cobalt alloys in the ordered and disordered states and to those for the conventionally used bearing material, 440-C. Environments in which experiments were conducted included air, argon, and 0.25percent stearic acid in hexadecane. Results indicate that a ternary iron - cobalt - 5-percent-silicon alloy exhibits lower friction and wear than the simple binary iron-cobalt alloy. It exhibits lower wear than 440-C in all three environments. Friction was lower for the alloy in argon than in air. Auger analysis of the surface of the ternary alloy indicated segregation of silicon at the surface as a result of sliding.

On the Mechanisms for Martensite Formation in YAG Laser Welded Austenitic NiTi

NASA Astrophysics Data System (ADS)

Oliveira, J. P.; Braz Fernandes, F. M.; Miranda, R. M.; Schell, N.

2016-03-01

Extensive work has been reported on the microstructure of laser-welded NiTi alloys either superelastic or with shape memory effect, motivated by the fact that the microstructure affects the functional properties. However, some effects of laser beam/material interaction with these alloys have not yet been discussed. This paper aims to discuss the mechanisms for the occurrence of martensite in the heat-affected zone and in the fusion zone at room temperature, while the base material is fully austenitic. For this purpose, synchrotron radiation was used together with a simple thermal analytic mathematical model. Two distinct mechanisms are proposed for the presence of martensite in different zones of a weld, which affects the mechanical and functional behavior of a welded component.

Prediction of the bending behavior after pre-strain of an aluminum alloy

NASA Astrophysics Data System (ADS)

Pradeau, A.; Thuillier, S.; Yoon, J. W.

2016-10-01

The present work is focused on the modeling of sheet metal mechanical behavior up to rupture, including anisotropy and hardening. The mechanical behavior of an AA6016 alloy was characterized at room temperature in tension, simple shear and hydraulic bulging. The initial anisotropy was described with the Yld2004-18p yield criterion coupled to a mixed hardening law. Concerning rupture, an uncoupled phenomenological criterion of Mohr-Coulomb type will be used. For the material parameter identification, an inverse methodology was used with the objective of reducing the gap between experimental and numerical data. Finally, validation of the results was performed on bending tests with different amplitudes of tension pre-strain in order to reach or not rupture in the bent area.

Study on the corrosion resistance and anti-infection of modified magnesium alloy.

PubMed

Bai, Ningning; Tan, Cui; Li, Qing; Xi, Zhongxian

2017-01-01

In this paper, a low-cost and multifunctional hydroxyapatite (HA)/pefloxacin (PFLX) drug eluting layer is coated on magnesium (Mg) alloy through a simple hydrothermal and dip process. The drug PFLX could provide effective prevention for bone infection and inflammation due to its broad-spectrum antibacterial property. And HA would promote the growth of new bone and further improve the biocompatibility of implants. Besides, both PFLX and HA exhibits excellent corrosion protection for Mg alloy substrate. This coating is of great value for improving the application of Mg alloy as biomaterials.

Surface hardening of Al alloys through controlled ball-milling and sintering.

PubMed

Kim, Seek Hyeoun; Kim, Yong Jin; Ahn, Jung-Ho

2012-07-01

One of the drawbacks of aluminum and its alloys is the lack of proper heat-treatment for surface-hardening. In the present work, a new and simple method of hardening the surface of aluminum and its alloys was developed. Low-energy ball-milling using specific process control agents (PCAs) was employed, using subsequent sintering in a controlled atmosphere. The PCAs in the present work were very effective both for milling and the formation of hard nanocrystalline dispersoids during sintering. The residual oxygen in a sintering atmosphere also played an important role in the formation of AIN or Al-O-N dispersoids. Through the proper control of the processing atmosphere and PCAs, the hardness and thickness of the hardened layers could be adjusted. The results of the wear test showed that the present aluminum alloys can be effectively utilized as light-weight components with a good wear resistance. Furthermore, the present method involves a simple forming process of die-compaction and sintering.

Experiments with the low melting indium-bismuth alloy system

NASA Technical Reports Server (NTRS)

Krepski, Richard P.

1992-01-01

The following is a laboratory experiment designed to create an interest in and to further understanding of materials science. The primary audience for this material is the junior high school or middle school science student having no previous familiarity with the material, other than some knowledge of temperature and the concepts of atoms, elements, compounds, and chemical reactions. The objective of the experiment is to investigate the indium-bismuth alloy system. Near the eutectic composition, the liquidus is well below the boiling point of water, allowing simple, minimal hazard casting experiments. Such phenomena as metal oxidation, formation of intermetallic compound crystals, and an unusual volume increase during solidification could all be directly observed. A key concept for students to absorb is that properties of an alloy (melting point, mechanical behavior) may not correlate with simple interpolation of properties of the pure components. Discussion of other low melting metals and alloys leads to consideration of environmental and toxicity issues, as well as providing some historical context. Wetting behavior can also be explored.

Effect of bending on the performance of spool-packaged shape memory alloy actuators

NASA Astrophysics Data System (ADS)

Redmond, John A.; Brei, Diann; Luntz, Jonathan; Browne, Alan L.; Johnson, Nancy L.

2009-03-01

Shape memory alloy (SMA) actuation is becoming an increasingly viable technology for industrial applications as many of the technical issues that have limited its use are being addressed (speed of actuation, mechanical connections, performance degradation, quality control, etc.) while increasing production capacities drive costs to practical levels. Shape memory alloys are often selected because of their high energy density which can lead to compact actuators; however, wire forms with small cross-sectional diameters tend to be long (10 to 50 times the length of required stroke). Spooling the wire can be used for compact packaging, but as the spool diameter decreases performance losses and fatigue increase due to bending strains and stresses. This paper presents a simple, design-level model for spooled SMA wire actuators with linear motion outputs that includes the effects of friction and wire bending and accounts for the actuator geometry, applied load, and material friction and constitutive properties. The model was validated experimentally with respect to the ratio of mandrel to SMA wire diameter and agrees well in both form and magnitude with experiments. The resulting model provides the framework for the analysis and synthesis of spooled SMA wire actuators to guide the selection of design parameters with respect to the tradeoffs between performance and packaging.

High-Strain-Rate Constitutive Characterization and Modeling of Metal Matrix Composites

DTIC Science & Technology

2014-03-07

protective coatings. Even though most MMCs studied to date are aluminum matrix composites, magnesium and its alloys have also been considered to be... plastic response of the matrix. Based on a simple analysis of the effect of misalignments of microscale kinks, Argon estimated that the compressive... deformations ; if the fibers break into small enough pieces, their stiffening effect could be reduced. We are examining both possibilities to explain

Predicting overload-affected fatigue crack growth in steels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skorupa, M.; Skorupa, A.; Ladecki, B.

1996-12-01

The ability of semi-empirical crack closure models to predict the effect of overloads on fatigue crack growth in low-alloy steels has been investigated. With this purpose, the CORPUS model developed for aircraft metals and spectra has been checked first through comparisons between the simulated and observed results for a low-alloy steel. The CORPUS predictions of crack growth under several types of simple load histories containing overloads appeared generally unconservative which prompted the authors to formulate a new model, more suitable for steels. With the latter approach, the assumed evolution of the crack opening stress during the delayed retardation stage hasmore » been based on experimental results reported for various steels. For all the load sequences considered, the predictions from the proposed model appeared to be by far more accurate than those from CORPUS. Based on the analysis results, the capability of semi-empirical prediction concepts to cover experimentally observed trends that have been reported for sequences with overloads is discussed. Finally, possibilities of improving the model performance are considered.« less

Multiaxial Fatigue Damage Parameter and Life Prediction without Any Additional Material Constants

PubMed Central

Yu, Zheng-Yong; Liu, Qiang; Liu, Yunhan

2017-01-01

Based on the critical plane approach, a simple and efficient multiaxial fatigue damage parameter with no additional material constants is proposed for life prediction under uniaxial/multiaxial proportional and/or non-proportional loadings for titanium alloy TC4 and nickel-based superalloy GH4169. Moreover, two modified Ince-Glinka fatigue damage parameters are put forward and evaluated under different load paths. Results show that the generalized strain amplitude model provides less accurate life predictions in the high cycle life regime and is better for life prediction in the low cycle life regime; however, the generalized strain energy model is relatively better for high cycle life prediction and is conservative for low cycle life prediction under multiaxial loadings. In addition, the Fatemi–Socie model is introduced for model comparison and its additional material parameter k is found to not be a constant and its usage is discussed. Finally, model comparison and prediction error analysis are used to illustrate the superiority of the proposed damage parameter in multiaxial fatigue life prediction of the two aviation alloys under various loadings. PMID:28792487

Multiaxial Fatigue Damage Parameter and Life Prediction without Any Additional Material Constants.

PubMed

Yu, Zheng-Yong; Zhu, Shun-Peng; Liu, Qiang; Liu, Yunhan

2017-08-09

Based on the critical plane approach, a simple and efficient multiaxial fatigue damage parameter with no additional material constants is proposed for life prediction under uniaxial/multiaxial proportional and/or non-proportional loadings for titanium alloy TC4 and nickel-based superalloy GH4169. Moreover, two modified Ince-Glinka fatigue damage parameters are put forward and evaluated under different load paths. Results show that the generalized strain amplitude model provides less accurate life predictions in the high cycle life regime and is better for life prediction in the low cycle life regime; however, the generalized strain energy model is relatively better for high cycle life prediction and is conservative for low cycle life prediction under multiaxial loadings. In addition, the Fatemi-Socie model is introduced for model comparison and its additional material parameter k is found to not be a constant and its usage is discussed. Finally, model comparison and prediction error analysis are used to illustrate the superiority of the proposed damage parameter in multiaxial fatigue life prediction of the two aviation alloys under various loadings.

In vivo characterization of magnesium alloy biodegradation using electrochemical H2 monitoring, ICP-MS, and XPS.

PubMed

Zhao, Daoli; Wang, Tingting; Nahan, Keaton; Guo, Xuefei; Zhang, Zhanping; Dong, Zhongyun; Chen, Shuna; Chou, Da-Tren; Hong, Daeho; Kumta, Prashant N; Heineman, William R

2017-03-01

The effect of widely different corrosion rates of Mg alloys on four parameters of interest for in vivo characterization was evaluated: (1) the effectiveness of transdermal H 2 measurements with an electrochemical sensor for noninvasively monitoring biodegradation compared to the standard techniques of in vivo X-ray imaging and weight loss measurement of explanted samples, (2) the chemical compositions of the corrosion layers of the explanted samples by XPS, (3) the effect on animal organs by histology, and (4) the accumulation of corrosion by-products in multiple organs by ICP-MS. The in vivo biodegradation of three magnesium alloys chosen for their widely varying corrosion rates - ZJ41 (fast), WKX41 (intermediate) and AZ31 (slow) - were evaluated in a subcutaneous implant mouse model. Measuring H 2 with an electrochemical H 2 sensor is a simple and effective method to monitor the biodegradation process in vivo by sensing H 2 transdermally above magnesium alloys implanted subcutaneously in mice. The correlation of H 2 levels and biodegradation rate measured by weight loss shows that this non-invasive method is fast, reliable and accurate. Analysis of the insoluble biodegradation products on the explanted alloys by XPS showed all of them to consist primarily of Mg(OH) 2 , MgO, MgCO 3 and Mg 3 (PO 4 ) 2 with ZJ41 also having ZnO. The accumulation of magnesium and zinc were measured in 9 different organs by ICP-MS. Histological and ICP-MS studies reveal that there is no significant accumulation of magnesium in these organs for all three alloys; however, zinc accumulation in intestine, kidney and lung for the faster biodegrading alloy ZJ41 was observed. Although zinc accumulates in these three organs, no toxicity response was observed in the histological study. ICP-MS also shows higher levels of magnesium and zinc in the skull than in the other organs. Biodegradable devices based on magnesium and its alloys are promising because they gradually dissolve and thereby avoid the need for subsequent removal by surgery if complications arise. In vivo biodegradation rate is one of the crucial parameters for the development of these alloys. Promising alloys are first evaluated in vivo by being implanted subcutaneously in mice for 1month. Here, we evaluated several magnesium alloys with widely varying corrosion rates in vivo using multiple characterization techniques. Since the alloys biodegrade by reacting with water forming H 2 gas, we used a recently demonstrated, simple, fast and noninvasive method to monitor the biodegradation process by just pressing the tip of a H 2 sensor against the skin above the implant. The analysis of 9 organs (intestine, kidney, spleen, lung, heart, liver, skin, brain and skull) for accumulation of Mg and Zn revealed no significant accumulation of magnesium in these organs. Zinc accumulation in intestine, kidney and lung was observed for the faster corroding implant ZJ41. The surfaces of explanted alloys were analyzed to determine the composition of the insoluble biodegradation products. The results suggest that these tested alloys are potential candidates for biodegradable implant applications. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

BISON Fuel Performance Analysis of FeCrAl cladding with updated properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sweet, Ryan; George, Nathan M.; Terrani, Kurt A.

2016-08-30

In order to improve the accident tolerance of light water reactor (LWR) fuel, alternative cladding materials have been proposed to replace zirconium (Zr)-based alloys. Of these materials, there is a particular focus on iron-chromium-aluminum (FeCrAl) alloys due to much slower oxidation kinetics in high-temperature steam than Zr-alloys. This should decrease the energy release due to oxidation and allow the cladding to remain integral longer in the presence of high temperature steam, making accident mitigation more likely. As a continuation of the development for these alloys, suitability for normal operation must also be demonstrated. This research is focused on modeling themore » integral thermo-mechanical performance of FeCrAl-cladded fuel during normal reactor operation. Preliminary analysis has been performed to assess FeCrAl alloys (namely Alkrothal 720 and APMT) as a suitable fuel cladding replacement for Zr-alloys, using the MOOSE-based, finite-element fuel performance code BISON and the best available thermal-mechanical and irradiation-induced constitutive properties. These simulations identify the effects of the mechanical-stress and irradiation response of FeCrAl, and provide a comparison with Zr-alloys. In comparing these clad materials, fuel rods have been simulated for normal reactor operation and simple steady-state operation. Normal reactor operating conditions target the cladding performance over the rod lifetime (~4 cycles) for the highest-power rod in the highest-power fuel assembly under reactor power maneuvering. The power histories and axial temperature profiles input into BISON were generated from a neutronics study on full-core reactivity equivalence for FeCrAl using the 3D full core simulator NESTLE. Evolution of the FeCrAl cladding behavior over time is evaluated by using steady-state operating conditions such as a simple axial power profile, a constant cladding surface temperature, and a constant fuel power history. The fuel rod designs and operating conditions used are based off the Peach Bottom BWR and design consideration was given to minimize the neutronic penalty of the FeCrAl cladding by changing fuel enrichment and cladding thickness. As this study progressed, systematic parametric analysis of the fuel and cladding creep responses were also performed.« less

Simple Magnetic Device Indicates Thickness Of Alloy 903

NASA Technical Reports Server (NTRS)

Long, Pin Jeng; Rodriguez, Sergio; Bright, Mark L.

1995-01-01

Handheld device called "ferrite indicator" orginally designed for use in determining ferrite content of specimen of steel. Placed in contact with specimen and functions by indicating whether magnet attracted more strongly to specimen or to calibrated reference sample. Relative strength of attraction shows whether alloy overlay thinner than allowable.

Crack Growth Modeling in an Advanced Powder Metallurgy Alloy

DTIC Science & Technology

1980-07-01

Figure ~ ~ ~ ~ ~ 1 90. SpcmnCniuain CorMtra ulfcto Experiments. .= is5.9 mm__ C ,, . 625 inch) , so t’ 0 1 ".6 12.7 mm (0.50 inch) Figure 5. Configuration...best simple correlation of hold time and stress ratio (R = 0.05 through 0.8) effects on Inconel 718 at 650* C (1200" F) was by the maximum stress...in the work done in another studyt22) on Inconel 718. Based on these room-temperature studies, the interpolative model was ex- pected to have a

Interstitial-phase precipitation in iron-base alloys: a comparative study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pelton, A.R.

1982-06-01

Recent developments have elucidated the atomistic mechanisms of precipitation of interstitial elements in simple alloy systems. However, in the more technologically important iron base alloys, interstitial phase precipitation is generally not well understood. The present experimental study was therefore designed to test the applicability of these concepts to more complex ferrous alloys. Hence, a comparative study was made of interstitial phase precipitation in ferritic Fe-Si-C and in austenitic phosphorus-containing Fe-Cr-Ni steels. These systems were subjected to a variety of quench-age thermal treatments, and the microstructural development was subsequently characterized by transmission electron microscopy.

Imprinting bulk amorphous alloy at room temperature

DOE PAGES

Kim, Song-Yi; Park, Eun-Soo; Ott, Ryan T.; ...

2015-11-13

We present investigations on the plastic deformation behavior of a brittle bulk amorphous alloy by simple uniaxial compressive loading at room temperature. A patterning is possible by cold-plastic forming of the typically brittle Hf-based bulk amorphous alloy through controlling homogenous flow without the need for thermal energy or shaping at elevated temperatures. The experimental evidence suggests that there is an inconsistency between macroscopic plasticity and deformability of an amorphous alloy. Moreover, imprinting of specific geometrical features on Cu foil and Zr-based metallic glass is represented by using the patterned bulk amorphous alloy as a die. These results demonstrate the abilitymore » of amorphous alloys or metallic glasses to precisely replicate patterning features onto both conventional metals and the other amorphous alloys. In conclusion, our work presents an avenue for avoiding the embrittlement of amorphous alloys associated with thermoplastic forming and yields new insight the forming application of bulk amorphous alloys at room temperature without using heat treatment.« less

In vitro corrosion and cytocompatibility properties of nano-whisker hydroxyapatite coating on magnesium alloy for bone tissue engineering applications.

PubMed

Yang, Huawei; Yan, Xueyu; Ling, Min; Xiong, Zuquan; Ou, Caiwen; Lu, Wei

2015-03-17

We report here the successful fabrication of nano-whisker hydroxyapatite (nHA) coatings on Mg alloy by using a simple one-step hydrothermal process in aqueous solution. The nHA coating shows uniform structure and high crystallinity. Results indicate that nHA coating is promising for improving the in vitro corrosion and cytocompatibility properties of Mg-based implants and devices for bone tissue engineering. In addition, the simple hydrothermal deposition method used in the current study is also applicable to substrates with complex shapes or surface geometries.

In Vitro Corrosion and Cytocompatibility Properties of Nano-Whisker Hydroxyapatite Coating on Magnesium Alloy for Bone Tissue Engineering Applications

PubMed Central

Yang, Huawei; Yan, Xueyu; Ling, Min; Xiong, Zuquan; Ou, Caiwen; Lu, Wei

2015-01-01

We report here the successful fabrication of nano-whisker hydroxyapatite (nHA) coatings on Mg alloy by using a simple one-step hydrothermal process in aqueous solution. The nHA coating shows uniform structure and high crystallinity. Results indicate that nHA coating is promising for improving the in vitro corrosion and cytocompatibility properties of Mg-based implants and devices for bone tissue engineering. In addition, the simple hydrothermal deposition method used in the current study is also applicable to substrates with complex shapes or surface geometries. PMID:25789500

Accelerated exploration of multi-principal element alloys with solid solution phases

PubMed Central

Senkov, O.N.; Miller, J.D.; Miracle, D.B.; Woodward, C.

2015-01-01

Recent multi-principal element, high entropy alloy (HEA) development strategies vastly expand the number of candidate alloy systems, but also pose a new challenge—how to rapidly screen thousands of candidate alloy systems for targeted properties. Here we develop a new approach to rapidly assess structural metals by combining calculated phase diagrams with simple rules based on the phases present, their transformation temperatures and useful microstructures. We evaluate over 130,000 alloy systems, identifying promising compositions for more time-intensive experimental studies. We find the surprising result that solid solution alloys become less likely as the number of alloy elements increases. This contradicts the major premise of HEAs—that increased configurational entropy increases the stability of disordered solid solution phases. As the number of elements increases, the configurational entropy rises slowly while the probability of at least one pair of elements favouring formation of intermetallic compounds increases more rapidly, explaining this apparent contradiction. PMID:25739749

X-ray peak broadening analysis of AA 6061{sub 100-x} - x wt.% Al{sub 2}O{sub 3} nanocomposite prepared by mechanical alloying

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sivasankaran, S., E-mail: sivasankarangs1979@gmail.com; Sivaprasad, K., E-mail: ksp@nitt.edu; Narayanasamy, R., E-mail: narayan@nitt.edu

2011-07-15

Nanocrystalline AA 6061 alloy reinforced with alumina (0, 4, 8, and 12 wt.%) in amorphized state composite powder was synthesized by mechanical alloying and consolidated by conventional powder metallurgy route. The as-milled and as-sintered (573 K and 673 K) nanocomposites were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The peaks corresponding to fine alumina was not observed by XRD patterns due to amorphization. Using high-resolution transmission electron microscope, it is confirmed that the presence of amorphized alumina observed in Al lattice fringes. The crystallite size, lattice strain, deformation stress, and strain energy density of AA 6061 matrixmore » were determined precisely from the first five most intensive reflection of XRD using simple Williamson-Hall models; uniform deformation model, uniform stress deformation model, and uniform energy density deformation model. Among the developed models, uniform energy density deformation model was observed to be the best fit and realistic model for mechanically alloyed powders. This model evidenced the more anisotropic nature of the ball milled powders. The XRD peaks of as-milled powder samples demonstrated a considerable broadening with percentage of reinforcement due to grain refinement and lattice distortions during same milling time (40 h). The as-sintered (673 K) unreinforced AA 6061 matrix crystallite size from well fitted uniform energy density deformation model was 98 nm. The as-milled and as-sintered (673 K) nanocrystallite matrix sizes for 12 wt.% Al{sub 2}O{sub 3} well fitted by uniform energy density deformation model were 38 nm and 77 nm respectively, which indicate that the fine Al{sub 2}O{sub 3} pinned the matrix grain boundary and prevented the grain growth during sintering. Finally, the lattice parameter of Al matrix in as-milled and as-sintered conditions was also investigated in this paper. Research highlights: {yields} Integral breadth methods using various Williamson-Hall models were investigated for line profile analysis. {yields} Uniform energy density deformation model is observed to the best realistic model. {yields} The present analysis is used for understanding the stress and the strain present in the nanocomposites.« less

A new strategy to design eutectic high-entropy alloys using simple mixture method

DOE PAGES

Jiang, Hui; Han, Kaiming; Gao, Xiaoxia; ...

2018-01-13

Eutectic high entropy alloys (EHEAs) hold promising industrial application potential, but how to design EHEA compositions remains challenging. In the present work, a simple and effective strategy by combining mixing enthalpy and constituent binary eutectic compositions was proposed to design EHEA compositions. This strategy was then applied to a series of (CoCrFeNi)M x (M = Nb, Ta, Zr, Hf) HEAs, leading to the discovery of new EHEAs, namely, CoCrFeNiNb 0.45, CoCrFeNiTa 0.4, CoCrFeNiZr 0.55 and CoCrFeNiHf 0.4. The microstructure of these new EHEAs comprised of FCC and Laves phases in the as-cast state. In conclusion, the experimental result shows thatmore » this new alloy design strategy can be used to locate new EHEAs effectively.« less

A new strategy to design eutectic high-entropy alloys using simple mixture method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Hui; Han, Kaiming; Gao, Xiaoxia

Eutectic high entropy alloys (EHEAs) hold promising industrial application potential, but how to design EHEA compositions remains challenging. In the present work, a simple and effective strategy by combining mixing enthalpy and constituent binary eutectic compositions was proposed to design EHEA compositions. This strategy was then applied to a series of (CoCrFeNi)M x (M = Nb, Ta, Zr, Hf) HEAs, leading to the discovery of new EHEAs, namely, CoCrFeNiNb 0.45, CoCrFeNiTa 0.4, CoCrFeNiZr 0.55 and CoCrFeNiHf 0.4. The microstructure of these new EHEAs comprised of FCC and Laves phases in the as-cast state. In conclusion, the experimental result shows thatmore » this new alloy design strategy can be used to locate new EHEAs effectively.« less

Spectrophotometric studies and applications for the determination of Ni2+ in zinc-nickel alloy electrolyte

NASA Astrophysics Data System (ADS)

Qiao, Xiaoping; Li, Helin; Zhao, Wenzhen; Li, Dejun

The absorption properties of zinc-nickel alloy electrolyte were studied by visible spectrophotometer. The results show that the relationship between the absorbance of the zinc-nickel alloy electrolyte and Ni2+ concentration in the electrolyte obeys Beer's law at 660 nm. In addition, other components except Ni2+ in the zinc-nickel alloy electrolyte such as zinc chloride, ammonium chloride, potassium chloride and boric acid have no obvious effect on the absorbance of zinc-nickel alloy electrolyte. Based on these properties, a new method is developed to determine Ni2+ concentration in zinc-nickel alloy electrolyte. Comparing with other methods, this method is simple, direct and accurate. Moreover, the whole testing process does not consume any reagent and dilution, and after testing, the electrolyte samples can be reused without any pollution to the environment.

Thermal conductivity of disordered two-dimensional binary alloys.

PubMed

Zhou, Yang; Guo, Zhi-Xin; Cao, Hai-Yuan; Chen, Shi-You; Xiang, Hong-Jun; Gong, Xin-Gao

2016-10-20

Using non-equilibrium molecular dynamics simulations, we have studied the effect of disorder on the thermal conductivity of two-dimensional (2D) C 1-x N x alloys. We find that the thermal conductivity not only depends on the substitution concentration of nitrogen, but also strongly depends on the disorder distribution. A general linear relationship is revealed between the thermal conductivity and the participation ratio of phonons in 2D alloys. Localization mode analysis further indicates that the thermal conductivity variation in the ordered alloys can be attributed to the number of inequivalent atoms. As for the disordered alloys, we find that the thermal conductivity variation can be described by a simple linear formula with the disorder degree and the substitution concentration. The present study suggests some general guidance for phonon manipulation and thermal engineering in low dimensional alloys.

Atomistic Method Applied to Computational Modeling of Surface Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo H.; Abel, Phillip B.

2000-01-01

The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of the energetics, consists of a small number of simple PCbased computer codes that deal with the different aspects of surface alloy formation. Two analysis modes are available within this package. The first mode provides an atom-by-atom description of real and virtual stages 1. during the process of surface alloying, based on the construction of catalogues of configurations where each configuration describes one possible atomic distribution. BFS analysis of this catalogue provides information on accessible states, possible ordering patterns, and details of island formation or film growth. More importantly, it provides insight into the evolution of the system. Software developed by the Computational Materials Group allows for the study of an arbitrary number of elements forming surface alloys, including an arbitrary number of surface atomic layers. The second mode involves large-scale temperature-dependent computer 2. simulations that use the BFS method for the energetics and provide information on the dynamic processes during surface alloying. These simulations require the implementation of Monte-Carlo-based codes with high efficiency within current workstation environments. This methodology capitalizes on the advantages of the BFS method: there are no restrictions on the number or type of elements or on the type of crystallographic structure considered. This removes any restrictions in the definition of the configuration catalogues used in the analytical calculations, thus allowing for the study of arbitrary ordering patterns, ultimately leading to the actual surface alloy structure. Moreover, the Monte Carlo numerical technique used for the large-scale simulations allows for a detailed visualization of the simulated process, the main advantage of this type of analysis being the ability to understand the underlying features that drive these processes. Because of the simplicity of the BFS method for e energetics used in these calculations, a detailed atom-by-atom analysis can be performed at any point in the simulation, providing necessary insight on the details of the process. The main objective of this research program is to develop a tool to guide experimenters in understanding and interpreting often unexpected results in alloy formation experiments. By reducing the computational effort without losing physical accuracy, we expect that powerful simulation tools will be developed in the immediate future, which will allow material scientists to easily visualize and analyze processes at a level not achievable experimentally.

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

DOE PAGES

Singh, Prashant; Smirnov, A. V.; Johnson, Duane D.

2018-05-31

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects controlmore » ordering in these alloys.« less

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Prashant; Smirnov, A. V.; Johnson, Duane D.

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects controlmore » ordering in these alloys.« less

On the origin of bulk glass forming ability in Cu-Hf, Zr alloys

NASA Astrophysics Data System (ADS)

Ristić, Ramir; Zadro, Krešo; Pajić, Damir; Figueroa, Ignacio A.; Babić, Emil

2016-04-01

Understanding the formation of bulk metallic glasses (BMG) in metallic systems and finding a reliable criterion for selection of BMG compositions are among the most important issues in condensed-matter physics and material science. Using the results of magnetic susceptibility measurements performed on both amorphous and crystallized Cu-Hf alloys (30-70 at% Cu) we find a correlation between the difference in magnetic susceptibilities of corresponding glassy and crystalline alloys and the variation in the glass forming ability (GFA) in these alloys. Since the same correlation can be inferred from data for the properties associated with the electronic structure of Cu-Zr alloys, it seems quite general and may apply to other glassy alloys based on early and late transition metals. This correlation is plausible from the free-energy considerations and provides a simple way to select the compositions with high GFA.

Facile Synthesis of Nanoporous Pt-Y alloy with Enhanced Electrocatalytic Activity and Durability

NASA Astrophysics Data System (ADS)

Cui, Rongjing; Mei, Ling; Han, Guangjie; Chen, Jiyun; Zhang, Genhua; Quan, Ying; Gu, Ning; Zhang, Lei; Fang, Yong; Qian, Bin; Jiang, Xuefan; Han, Zhida

2017-02-01

Recently, Pt-Y alloy has displayed an excellent electrocatalytic activity for oxygen reduction reaction (ORR), and is regarded as a promising cathode catalyst for fuel cells. However, the bulk production of nanoscaled Pt-Y alloy with outstanding catalytic performance remains a great challenge. Here, we address the challenge through a simple dealloying method to synthesize nanoporous Pt-Y alloy (NP-PtY) with a typical ligament size of ~5 nm. By combining the intrinsic superior electrocatalytic activity of Pt-Y alloy with the special nanoporous structure, the NP-PtY bimetallic catalyst presents higher activity for ORR and ethanol oxidation reaction, and better electrocatalytic stability than the commercial Pt/C catalyst and nanoporous Pt alloy. The as-made NP-PtY holds great application potential as a promising electrocatalyst in proton exchange membrane fuel cells due to the advantages of facile preparation and excellent catalytic performance.

A new method for promoting adhesion between precious metal alloys and dental adhesives.

PubMed

Ohno, H; Araki, Y; Endo, K

1992-06-01

A new, simple method of modifying the adherend metal surface by a liquid Ga-Sn alloy (Adlloy) was applied to dental precious and base-metal alloys for adhesion with 4-META adhesive resin. Adhesions of 4-META resin to three other surface states--as-polished, oxidized at high temperature, and electroplated tin--were also performed for comparison with the adhesion on Adlloy-modified surfaces. Bond strength measurements were made, and the durability against water at the adhering interface was evaluated. The Adlloy-modified gold alloys (Type IV and 14 K) and silver-based alloys (Ag-Pd and Ag-Cu) showed not only high bond strengths but also excellent water durability at the adhesion interface. Surface modification by Adlloy, however, did not affect adhesion to Ag-In-Zn and base-metal (SUS, Co-Cr, and Ni-Cr) alloys. Adhesion to the tin-electroplated specimens was comparable with that to the Adlloy-modified specimens.

Impact of Surface Potential on Apatite Formation in Ti Alloys Subjected to Acid and Heat Treatments

PubMed Central

Yamaguchi, Seiji; Hashimoto, Hideki; Nakai, Ryusuke; Takadama, Hiroaki

2017-01-01

Titanium metal (Ti) and its alloys are widely used in orthopedic and dental fields. We have previously shown that acid and heat treatment was effective to introduce bone bonding, osteoconduction and osteoinduction on pure Ti. In the present study, acid and heat treatment with or without initial NaOH treatment was performed on typical Ti-based alloys used in orthopedic and dental fields. Dynamic movements of alloying elements were developed, which depended on the kind of treatment and type of alloy. It was found that the simple acid and heat treatment enriched/remained the alloying elements on Ti–6Al–4V, Ti–15Mo–5Zr–3Al and Ti–15Zr–4Nb–4Ta, resulting in neutral surface charges. Thus, the treated alloys did not form apatite in a simulated body fluid (SBF) within 3 days. In contrast, when the alloys were subjected to a NaOH treatment prior to an acid and heat treatment, alloying elements were selectively removed from the alloy surfaces. As a result, the treated alloys became positively charged, and formed apatite in SBF within 3 days. Thus, the treated alloys would be useful in orthopedic and dental fields since they form apatite even in a living body and bond to bone. PMID:28946646

Stable biomimetic super-hydrophobic engineering materials.

PubMed

Guo, Zhiguang; Zhou, Feng; Hao, Jingcheng; Liu, Weimin

2005-11-16

We describe a simple and inexpensive method to produce super-hydrophobic surfaces on aluminum and its alloy by oxidation and chemical modification. Water or aqueous solutions (pH = 1-14) have contact angles of 168 +/- 2 and 161 +/- 2 degrees on the treated surfaces of Al and Al alloy, respectively. The super-hydrophobic surfaces are produced by the cooperation of binary structures at micro- and nanometer scales, thus reducing the energies of the surfaces. Such super-hydrophobic properties will greatly extend the applications of aluminum and its alloy as lubricating materials.

Precipitation in Al-Cu-Li alloys: from the kinetics of T1 phase precipitation to microstructure development in friction stir welds

NASA Astrophysics Data System (ADS)

Deschamps, A.; de Geuser, F.; Decreus, B.; Malard, B.

Al-Cu-Li based alloys are experiencing a rapid development for aerospace applications. The main hardening phase of this system (T1-Al2CuLi) forms as thin platelets (1 nm) that can reach diameters of 50 to 100 nm with remarkable stability in temperature. The nucleation, growth and thickening mechanisms of this phase are of crucial importance for the understanding of the microstructures resulting from simple to complex thermo-mechanical treatments, including friction stir welding of such alloys.

Crack Growth of a Titanium-Aluminide Alloy under Thermal-Mechanical Fatigue

DTIC Science & Technology

1988-12-01

the elastic-plastic fracture mechanics ( EPFM ) relations such as the J-integral or crack tip opening displacement (CTOD) must be used. Much more work...has been done in the area of LEFM, using stress intensity factor range AK as a correlating factor, than in EPFM . No matter which type of analysis is...thus obvious that a simple linear summation model such as Heil’s might not be applicable to this material. Other damage mechanisms were then investigated

The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO 3 Fe 3Al, Co 3Al, and Ni 3Al based intermetallic phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samolyuk, G. D.; Újfalussy, B.; Stocks, G. M.

Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co and Ti within the AlNi-based matrix phase. In our paper we report the results of first-principles calculations of the site preference of ternarymore » alloying additions in DO 3 Fe 3Al, Co 3Al and Ni 3Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which corresponds to experimental situation, Ti and Fe are found to occupy the sites, while Co and Ni prefer the sites of the DO 3 lattice. Finally, an important finding is that the magnetic moments of transition metals in Fe 3Al and Co 3Al are ordered ferromagnetically, whereas the Ni3Al were found to be nonmagnetic unless the Fe or Co are added as a ternary element.« less

The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO{sub 3} Fe{sub 3}Al, Co{sub 3}Al, and Ni{sub 3}Al based intermetallic phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samolyuk, G. D.; Stocks, G. M.; Újfalussy, B.

Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co, and Ti within the AlNi-based matrix phase. In this paper, we report the results of first-principles calculations of the site preference of ternarymore » alloying additions in DO{sub 3} Fe{sub 3}Al, Co{sub 3}Al, and Ni{sub 3}Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which correspond to experimental situation, Ti and Fe are found to occupy the α sites, while Co and Ni prefer the γ sites of the DO{sub 3} lattice. An important finding is that the magnetic moments of transition metals in Fe{sub 3}Al and Co{sub 3}Al are ordered ferromagnetically, whereas the Ni{sub 3}Al were found to be nonmagnetic unless the Fe or Co is added as a ternary element.« less

The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO 3 Fe 3Al, Co 3Al, and Ni 3Al based intermetallic phases

DOE PAGES

Samolyuk, G. D.; Újfalussy, B.; Stocks, G. M.

2014-11-07

Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co and Ti within the AlNi-based matrix phase. In our paper we report the results of first-principles calculations of the site preference of ternarymore » alloying additions in DO 3 Fe 3Al, Co 3Al and Ni 3Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which corresponds to experimental situation, Ti and Fe are found to occupy the sites, while Co and Ni prefer the sites of the DO 3 lattice. Finally, an important finding is that the magnetic moments of transition metals in Fe 3Al and Co 3Al are ordered ferromagnetically, whereas the Ni3Al were found to be nonmagnetic unless the Fe or Co are added as a ternary element.« less

In Vitro Corrosion and Cytocompatibility of ZK60 Magnesium Alloy Coated with Hydroxyapatite by a Simple Chemical Conversion Process for Orthopedic Applications

PubMed Central

Wang, Bing; Huang, Ping; Ou, Caiwen; Li, Kaikai; Yan, Biao; Lu, Wei

2013-01-01

Magnesium and its alloys—a new class of degradable metallic biomaterials—are being increasingly investigated as a promising alternative for medical implant and device applications due to their advantageous mechanical and biological properties. However, the high corrosion rate in physiological environments prevents the clinical application of Mg-based materials. Therefore, the objective of this study was to develop a hydroxyapatite (HA) coating on ZK60 magnesium alloy substrates to mediate the rapid degradation of Mg while improving its cytocompatibility for orthopedic applications. A simple chemical conversion process was applied to prepare HA coating on ZK60 magnesium alloy. Surface morphology, elemental compositions, and crystal structures were characterized using scanning electron microscopy, energy dispersive spectroscopy, and X-ray diffraction, respectively. The corrosion properties of samples were investigated by immersion test and electrochemical test. Murine fibroblast L-929 cells were harvested and cultured with coated and non-coated ZK60 samples to determine cytocompatibility. The degradation results suggested that the HA coatings decreased the degradation of ZK60 alloy. No significant deterioration in compression strength was observed for all the uncoated and coated samples after 2 and 4 weeks’ immersion in simulated body fluid (SBF). Cytotoxicity test indicated that the coatings, especially HA coating, improved cytocompatibility of ZK60 alloy for L929 cells. PMID:24300096

Microstructures and mechanical properties of compositionally complex Co-free FeNiMnCr 18 FCC solid solution alloy

DOE PAGES

Wu, Z.; Bei, H.

2015-07-01

Recently, a structurally-simple but compositionally-complex FeNiCoMnCr high entropy alloy was found to have excellent mechanical properties (e.g., high strength and ductility). To understand the potential of using high entropy alloys as structural materials for advanced nuclear reactor and power plants, it is necessary to have a thorough understanding of their structural stability and mechanical properties degradation under neutron irradiation. Furthermore, this requires us to develop a similar model alloy without Co because material with Co will make post-neutron-irradiation testing difficult due to the production of the 60Co radioisotope. In order to achieve this goal, a FCC-structured single-phase alloy with amore » composition of FeNiMnCr 18 was successfully developed. This near-equiatomic FeNiMnCr 18 alloy has good malleability and its microstructure can be controlled by thermomechanical processing. By rolling and annealing, the as-cast elongated-grained-microstructure is replaced by homogeneous equiaxed grains. The mechanical properties (e.g., strength and ductility) of the FeNiMnCr 18 alloy are comparable to those of the equiatomic FeNiCoMnCr high entropy alloy. Both strength and ductility increase with decreasing deformation temperature, with the largest difference occurring between 293 and 77 K. Extensive twin-bands which are bundles of numerous individual twins are observed when it is tensile-fractured at 77 K. No twin bands are detected by EBSD for materials deformed at 293 K and higher. Ultimately the unusual temperature-dependencies of UTS and uniform elongation could be caused by the development of the dense twin substructure, twin-dislocation interactions and the interactions between primary and secondary twinning systems which result in a microstructure refinement and hence cause enhanced strain hardening and postponed necking.« less

Evaluation on the Effect of Composition on Radiation Hardening and Embrittlement in Model FeCrAl Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Field, Kevin G.; Briggs, Samuel A.; Edmondson, Philip

2015-09-18

This report details the findings of post-radiation mechanical testing and microstructural characterization performed on a series of model and commercial FeCrAl alloys to assist with the development of a cladding technology with enhanced accident tolerance. The samples investigated include model alloys with simple ferritic grain structure and two commercial alloys with minor solute additions. These samples were irradiated in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) up to nominal doses of 7.0 dpa near or at Light Water Reactor (LWR) relevant temperatures (300-400 C). Characterization included a suite of techniques including small angle neutron scatteringmore » (SANS), atom probe tomography (APT), and transmission based electron microscopy techniques. Mechanical testing included tensile tests at room temperature on sub-sized tensile specimens. The goal of this work was to conduct detailed characterization and mechanical testing to begin establishing empirical and/or theoretical structure-property relationships for radiation-induced hardening and embrittlement in the FeCrAl alloy class. Development of such relationships will provide insight on the performance of FeCrAl alloys in an irradiation environment and will enable further development of the alloy class for applications within a LWR environment. A particular focus was made on establishing trends, including composition and radiation dose. The report highlights in detail the pertinent findings based on this work. This report shows that radiation hardening in the alloys is primarily composition dependent due to the phase separation in the high-Cr FeCrAl alloys. Other radiation induced/enhanced microstructural features were less dependent on composition and when observed at low number densities, were not a significant contributor to the observed mechanical responses. Pre-existing microstructure in the alloys was found to be important, with grain boundaries and pre-existing dislocation networks acting as defect sinks, resulting in variations in the observed microstructures after irradiation. Dose trends were also observed, with increasing radiation dose promoting changes in the size and number density of the Cr-rich α' precipitates. Based on the microstructural analysis, performed tensile testing, and prior knowledge from FeCr literature it was hypothesized that the formation of the Cr-rich α' precipitates could lead to significant radiation-induced embrittlement in the alloys, and this could be composition dependent, a result which would mirror the trends observed for radiation-induced hardening. Due to the limited database on embrittlement in the FeCrAl alloy class after irradiation, a series of radiation experiments have been implemented. The overarching point of view within this report is the radiation tolerance of FeCrAl is complex, with many mechanisms and factors to be considered at once. Further development of the FeCrAl alloy class for enhanced accident tolerant applications requires detailed, single (or at least limited) variable experiments to fully comprehend and predict the performance of this alloy in LWRs. This report has been submitted as fulfillment of milestone M2FT-15OR0202321 titled, Summary report on the effect of composition on the irradiation embrittlement of Gen 1 ATF FeCrAl for the Department of Energy Office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program.« less

Fatigue Behavior of AM60B Subjected to Variable Amplitude Loading

NASA Astrophysics Data System (ADS)

Kang, H.; Kari, K.; Khosrovaneh, A. K.; Nayaki, R.; Su, X.; Zhang, L.; Lee, Y.-L.

Magnesium alloys are considered as an alternative material to reduce vehicle weight due to their weight which are 33% lighter than aluminum alloys. There has been a significant expansion in the applications of magnesium alloys in automotives components in an effort to improve fuel efficiency through vehicle mass reduction. In this project, a simple front shock tower of passenger vehicle is constructed with various magnesium alloys. To predict the fatigue behavior of the structure, fatigue properties of the magnesium alloy (AM60B) were determined from strain controlled fatigue tests. Notched specimens were also tested with three different variable amplitude loading profiles obtained from the shock tower of the similar size of vehicle. The test results were compared with various fatigue prediction results. The effect of mean stress and fatigue prediction method were discussed.

Ordering kinetics in the long-period superlattice alloy Cu0.79 Pd0.21

NASA Astrophysics Data System (ADS)

Wang, X.; Mainville, J.; Ludwig, K.; Flament, X.; Finel, A.; Caudron, R.

2005-07-01

The kinetics of long-period superlattice (LPS) formation from the disordered state has been examined in a Cu0.79Pd0.21 alloy that exhibits a one-dimensional LPS ordered state. Time-resolved x-ray scattering shows that, following a rapid temperature quench from the disordered state into the LPS region of the phase diagram, the satellite peaks initially grow more quickly than do the central integer-order superlattice peaks. During this process, the satellite peak position, which is inversely related to the average modulation wavelength 2M , initially decreases rapidly, then reaches a minimum and relaxes slowly back toward its new equilibrium position. In the later stages of the LPS formation process, the satellite and central integer-order superlattice peaks narrow in a manner consistent with t1/2 domain coarsening. A simple stochastic model of the partially ordered structure was developed to better understand the relationships between peak widths.

Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foiles, Stephen M.

2017-10-01

It is well know that the addition of substitutional elements changes the mechanical behavior of metals, a effect referred to solid solution hardening. For body-centered-cubic (BCC) metals, screw dislocation play a key role in the mechanical properties. Here the detailed modification of the Peierls barrier for screw dislocation motion in Ta with W substitutional atoms is computing using density functional theory (DFT). A reduced order model (ROM) of the influence of W substitution on the Peierls barrier is developed. The mean field change in the Peierls barrier for a Ta10W alloy is determined and shown to be larger than anticipatedmore » based on simple elasticity considerations. The ROM could be used in future calculations to determine the local variability of the Peierls barrier and the resultant influence on the motion of screw dislocation in this alloy.« less

Isothermal fatigue behavior of a (90)(sub 8) SiC/Ti-15-3 composite at 426 C

NASA Technical Reports Server (NTRS)

Gayda, John; Gabb, Timothy P.

1991-01-01

The transverse fatigue behavior of a unidirectional, SiC/Ti-15-3 composite (35 v/o SiC, (90)(sub 8)) was evaluated at 426 C. The fatigue behavior of the composite along the fiber direction (0)(sub 8) and of unreinforced Ti-15-3 alloy were also studied for comparison purposes. The (90)(sub 8) composite fatigue life was much shorter then (0)(sub 8) life. Further, (90)(sub 8) fatigue life was also found to be far lower than that of the unreinforced Ti-15-3 alloys. A simple one-dimensional model for (90)(sub 8) fatigue behavior indicated that the short life of the composite in this orientation resulted, in large part, from weak fiber-matrix bond strength. This conclusion was supported by fractographic evidence showing numerous initiation sites along the fiber-matrix interfaces.

Theoretical description of magnetocaloric effect in the shape memory alloy exhibiting metamagnetic behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

L'vov, Victor A.; Taras Shevchenko National University, Kyiv 01601; Kosogor, Anna, E-mail: annakosogor@gmail.com

2016-01-07

A simple thermodynamic theory is proposed for the quantitative description of giant magnetocaloric effect observed in metamagnetic shape memory alloys. Both the conventional magnetocaloric effect at the Curie temperature and the inverse magnetocaloric effect at the transition from the ferromagnetic austenite to a weakly magnetic martensite are considered. These effects are evaluated from the Landau-type free energy expression involving exchange interactions in a system of a two magnetic sublattices. The findings of the thermodynamic theory agree with first-principles calculations and experimental results from Ni-Mn-In-Co and Ni-Mn-Sn alloys, respectively.

Production of intergranular attack of alloy 600, alloy 690, and alloy 800 tubing in tubesheet crevices: Topical report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scott, D.B.; Glaves, C.L.,

1987-07-01

Three model boilers, manufactured to simulate full-size tube sheet crevices, were tested with various secondary side environments. The first was faulted with organics representative of the decomposition of humic acid. The second was faulted with sodium carbonate and sodium hydroxide, while the third was faulted with sodium sulfate and sodium hydroxide. Each model contained seven tubes, which included Alloy 600 in the mill-annealed (MA) and thermally-treated (TT) conditions and Alloy 690 in the thermally-treated condition. Two models contained Alloy 800 tubes in the mill-annealed condition and one had Alloy 800 in the mill-annealed/cold-worked/glass-bead-peened condition. Two different sizes of tubesheet crevicesmore » were used in all model boilers. In the organics-faulted boiler, tubes of Alloy 600MA, Alloy 690TT and Alloy 800MA experienced no significant intergranular attack (IGA); however, the Alloy 600TT had intergranular attack (IGA) three to four grains deep. The carbonate-caustic faulted boiler experienced throughwall stress corrosion cracking (SCC) in all tubes of Alloy 600 MA and Alloy 800 MA. Eddy current indications were present in Alloy 690TT, Alloy 600TT and Alloy 800 in the mill-annealed/cold worked/glass-bead-peened condition. Metallographic examination of tubes from the third model boiler, faulted with sodium sulfate and caustic, revealed IGA in the mill-annealed Alloy 600 tubes. The IGA was more extensive in an Alloy 600 tube annealed at 1700/sup 0/F than an Alloy 600 tube annealed at 1875/sup 0/F.« less

Rapid, general synthesis of PdPt bimetallic alloy nanosponges and their enhanced catalytic performance for ethanol/methanol electrooxidation in an alkaline medium.

PubMed

Zhu, Chengzhou; Guo, Shaojun; Dong, Shaojun

2013-01-14

We have demonstrated a rapid and general strategy to synthesize novel three-dimensional PdPt bimetallic alloy nanosponges in the absence of a capping agent. Significantly, the as-prepared PdPt bimetallic alloy nanosponges exhibited greatly enhanced activity and stability towards ethanol/methanol electrooxidation in an alkaline medium, which demonstrates the potential of applying these PdPt bimetallic alloy nanosponges as effective electrocatalysts for direct alcohol fuel cells. In addition, this simple method has also been applied for the synthesis of AuPt, AuPd bimetallic, and AuPtPd trimetallic alloy nanosponges. The as-synthesized three-dimensional bimetallic/trimetallic alloy nanosponges, because of their convenient preparation, well-defined sponge-like network, large-scale production, and high electrocatalytic performance for ethanol/methanol electrooxidation, may find promising potential applications in various fields, such as formic acid oxidation or oxygen reduction reactions, electrochemical sensors, and hydrogen-gas sensors. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanoporous platinum-cobalt alloy for electrochemical sensing for ethanol, hydrogen peroxide, and glucose.

PubMed

Xu, Caixia; Sun, Fenglei; Gao, Hua; Wang, Jinping

2013-05-30

Nanoporous platinum-cobalt (NP-PtCo) alloy with hierarchical nanostructure is straightforwardly fabricated by dealloying PtCoAl alloy in a mild alkaline solution. Selectively etching Al resulted in a hierarchical three-dimensional network nanostructure with a narrow size distribution at 3 nm. The as-prepared NP-PtCo alloy shows superior performance toward ethanol and hydrogen peroxide (H2O2) with highly sensitive response due to its unique electrocatalytic activity. In addition, NP-PtCo also exhibits excellent amperometric durability and long-term stability for H2O2 as well as a good anti-interference toward ascorbic acid, uric acid, and dopamine. The hierarchical nanoporous architecture in PtCo alloy is also highly active for glucose sensing electrooxidation and sensing in a wide linear range. The NP-PtCo alloy holds great application potential for electrochemical sensing with simple preparation, unique catalytic activity, and high structure stability. Copyright © 2013 Elsevier B.V. All rights reserved.

Mechanical properties of haynes alloy 188 after 22,500 hours of exposure to LiF-22CaF2 and vacuum at 1093 K

NASA Astrophysics Data System (ADS)

Whittenberger, J. D.

1994-12-01

As a continuation of a study of a space-based thermal energy storage system centered on a LiF-CaF2 eutectic salt contained by Haynes alloy 188, this Co-base superalloy was subjected to molten salt, its vapor, and vacuum for 22,500 h at 1093 K. Samples from all three exposure conditions were tensile tested between 77 to 1200 K; in addition, vacuum and molten-salt exposed specimens were vacuum creep rupture tested at 1050 K. Comparison of these mechanical properties with those measured for the as-received alloy reveals no evidence for degradation beyond that ascribed to simple thermal aging of Haynes alloy 188. This behavior is identical to the 10,000 h results (Ref 3); hence, Haynes alloy 188 is a suitable containment material for an eutectic LiF-CaF2 thermal energy storage salt.

Hierarchical Pd-Sn alloy nanosheet dendrites: an economical and highly active catalyst for ethanol electrooxidation.

PubMed

Ding, Liang-Xin; Wang, An-Liang; Ou, Yan-Nan; Li, Qi; Guo, Rui; Zhao, Wen-Xia; Tong, Ye-Xiang; Li, Gao-Ren

2013-01-01

Hierarchical alloy nanosheet dendrites (ANSDs) are highly favorable for superior catalytic performance and efficient utilization of catalyst because of the special characteristics of alloys, nanosheets, and dendritic nanostructures. In this paper, we demonstrate for the first time a facile and efficient electrodeposition approach for the controllable synthesis of Pd-Sn ANSDs with high surface area. These synthesized Pd-Sn ANSDs exhibit high electrocatalytic activity and superior long-term cycle stability toward ethanol oxidation in alkaline media. The enhanced electrocataytic activity of Pd-Sn ANSDs may be attributed to Pd-Sn alloys, nanosheet dendrite induced promotional effect, large number of active sites on dendrite surface, large surface area, and good electrical contact with the base electrode. Because of the simple implement and high flexibility, the proposed approach can be considered as a general and powerful strategy to synthesize the alloy electrocatalysts with high surface areas and open dendritic nanostructures.

Novel pre-alloyed powder processing of modified alnico 8: Correlation of microstructure and magnetic properties

DOE PAGES

Anderson, I. E.; Kassen, A. G.; White, E. M. H.; ...

2015-04-13

Progress is reviewed on development of an improved near-final bulk magnet fabrication process for alnico 8, as a non-rare earth permanent magnet with promise for sufficient energy density and coercivity for electric drive motors. This study showed that alnico bulk magnets in near-final shape can be made by simple compression molding from spherical high purity gas atomized pre-alloyed powder. Dwell time at peak sintering temperature (1250°C) greatly affected grain size of the resulting magnet alloys. This microstructure transformation was demonstrated to be useful for gaining partially aligned magnetic properties and boosting energy product. Furthermore, while a route to increased coercivitymore » was not identified by these experiments, manufacturability of bulk alnico magnet alloys in near-final shapes was demonstrated, permitting further processing and alloy modification experiments that can target higher coercivity and better control of grain anisotropy during grain growth.« less

Hierarchical Pd-Sn Alloy Nanosheet Dendrites: An Economical and Highly Active Catalyst for Ethanol Electrooxidation

PubMed Central

Ding, Liang-Xin; Wang, An-Liang; Ou, Yan-Nan; Li, Qi; Guo, Rui; Zhao, Wen-Xia; Tong, Ye-Xiang; Li, Gao-Ren

2013-01-01

Hierarchical alloy nanosheet dendrites (ANSDs) are highly favorable for superior catalytic performance and efficient utilization of catalyst because of the special characteristics of alloys, nanosheets, and dendritic nanostructures. In this paper, we demonstrate for the first time a facile and efficient electrodeposition approach for the controllable synthesis of Pd-Sn ANSDs with high surface area. These synthesized Pd-Sn ANSDs exhibit high electrocatalytic activity and superior long-term cycle stability toward ethanol oxidation in alkaline media. The enhanced electrocataytic activity of Pd-Sn ANSDs may be attributed to Pd-Sn alloys, nanosheet dendrite induced promotional effect, large number of active sites on dendrite surface, large surface area, and good electrical contact with the base electrode. Because of the simple implement and high flexibility, the proposed approach can be considered as a general and powerful strategy to synthesize the alloy electrocatalysts with high surface areas and open dendritic nanostructures. PMID:23383368

A Study of Tensile Flow and Work-Hardening Behavior of Alloy 617

NASA Astrophysics Data System (ADS)

Singh, Aditya Narayan; Moitra, A.; Bhaskar, Pragna; Dasgupta, Arup; Sasikala, G.; Bhaduri, A. K.

2018-04-01

The simple power relationship σ = Κɛ p n satisfactorily expresses the tensile flow behavior of many metals and alloys in their uniform plastic strain regime. However, many FCC materials with low stacking fault energy have opposed such power law relationship. Alloy 617, an age-hardenable Ni-based superalloy is also observed not to obey the simple power law relationship neither in its solution-treated nor in its aged conditions. Various flow relationships were used to obtain the best fit for the tensile data, and different relationships were identified for the different aged conditions. The work-hardening rate (θ) demonstrates three distinct regions for all aged conditions, and there is an obvious change in the trend of θ versus σ. In the initial portion, θ decreases rapidly followed by a gradual increase in the second stage and again a decrease in its third stage is perceived in the Alloy 617. These three-stage characteristics are attributed to a commonly known precipitate, γ': Ni3(Ti, Al) which evolves during aging treatment and well recognized under transmission electron microscopy (TEM) observation. TEM results also reveal a slight degree of coarsening in γ' over aging. The tensile flow and the work-hardening behavior are well correlated with other microstructural evolution during the aging treatments.

Prediction of the Creep-Fatigue Lifetime of Alloy 617: An Application of Non-destructive Evaluation and Information Integration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vivek Agarwal; Richard Wright; Timothy Roney

A relatively simple method using the nominal constant average stress information and the creep rupture model is developed to predict the creep-fatigue lifetime of Alloy 617, in terms of time to rupture. The nominal constant average stress is computed using the stress relaxation curve. The predicted time to rupture can be converted to number of cycles to failure using the strain range, the strain rate during each cycle, and the hold time information. The predicted creep-fatigue lifetime is validated against the experimental measurements of the creep-fatigue lifetime collected using conventional laboratory creep-fatigue tests. High temperature creep-fatigue tests of Alloy 617more » were conducted in air at 950°C with a tensile hold period of up to 1800s in a cycle at total strain ranges of 0.3% and 0.6%. It was observed that the proposed method is conservative in that the predicted lifetime is less than the experimentally determined values. The approach would be relevant to calculate the remaining useful life to a component like a steam generator that might fail by the creep-fatigue mechanism.« less

Bone bonding bioactivity of Ti metal and Ti-Zr-Nb-Ta alloys with Ca ions incorporated on their surfaces by simple chemical and heat treatments.

PubMed

Fukuda, A; Takemoto, M; Saito, T; Fujibayashi, S; Neo, M; Yamaguchi, S; Kizuki, T; Matsushita, T; Niinomi, M; Kokubo, T; Nakamura, T

2011-03-01

Ti15Zr4Nb4Ta and Ti29Nb13Ta4.6Zr, which do not contain the potentially cytotoxic elements V and Al, represent a new generation of alloys with improved corrosion resistance, mechanical properties, and cytocompatibility. Recently it has become possible for the apatite forming ability of these alloys to be ascertained by treatment with alkali, CaCl2, heat, and water (ACaHW). In order to confirm the actual in vivo bioactivity of commercially pure titanium (cp-Ti) and these alloys after subjecting them to ACaHW treatment at different temperatures, the bone bonding strength of implants made from these materials was evaluated. The failure load between implant and bone was measured for treated and untreated plates at 4, 8, 16, and 26 weeks after implantation in rabbit tibia. The untreated implants showed almost no bonding, whereas all treated implants showed successful bonding by 4 weeks, and the failure load subsequently increased with time. This suggests that a simple and economical ACaHW treatment could successfully be used to impart bone bonding bioactivity to Ti metal and Ti-Zr-Nb-Ta alloys in vivo. In particular, implants heat treated at 700 °C exhibited significantly greater bone bonding strength, as well as augmented in vitro apatite formation, in comparison with those treated at 600 °C. Thus, with this improved bioactive treatment process these advantageous Ti-Zr-Nb-Ta alloys can serve as useful candidates for orthopedic devices. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Corrosion behaviour of Al-Fe-Ti-V medium entropy alloy

NASA Astrophysics Data System (ADS)

Bodunrin, M. O.; Obadele, B. A.; Chown, L. H.; Olubambi, P. A.

2017-12-01

Alloys containing up to four multi-principal elements in equiatomic ratios are referred to as medium entropy alloys (MEA). These alloys have attracted the interest of many researchers due to the superior mechanical properties it offers over the traditional alloys. The design approach of MEA often results to simple solid solution with either body centered cubic; face centered cubic structures or both. As the consideration for introducing the alloys into several engineering application increases, there have been efforts to study the corrosion behaviour of these alloys. Previous reports have shown that some of these alloys are more susceptible to corrosion when compared with traditional alloys due to lack of protective passive film. In this research, we have developed AlFeTiV medium entropy alloys containing two elements (Ti and Al) that readily passivate when exposed to corrosive solutions. The alloys were produced in vacuum arc furnace purged with high purity argon. Open circuit potential and potentiodynamic polarisation tests were used to evaluate the corrosion behaviour of the as-cast AlFeTiV alloy in 3.5 wt% NaCl and 1 M H2SO4. The corrosion performance of the alloy was compared with Ti-6Al-4V alloy tested under similar conditions. The results show that unlike in Ti-6Al-4V alloy, the open circuit potential of the AlFeTiV alloy move towards the negative values in both 3.5 wt% NaCl and 1 M H2SO4 solutions indicating that self-activation occurred rapidly on immersion. Anodic polarisation of the alloys showed that AlFeTiV alloy exhibited a narrow range of passivity in both solutions. In addition, the alloys exhibited lower Ecorr and higher Icorr when compared with traditional Ti-6Al-4V alloy. The traditional Ti-6Al-4V alloy showed superior corrosion resistant to the AlFeTiV alloy in both 3.5 wt.% NaCl and 1 M H2SO4 solutions.

Oceanic mantle rocks reveal evidence for an ancient, 1.2-1.3 Ga global melting event

NASA Astrophysics Data System (ADS)

Dijkstra, A. H.; Sergeev, D.; McTaminey, L.; Dale, C. W.; Meisel, T. C.

2011-12-01

It is now increasingly being recognized that many oceanic peridotites are refertilized harzburgites, and that the refertilization often masks an extremely refractory character of the original mantle rock 'protolith'. Oceanic peridotites are, when the effects of melt refertilization are undone, often too refractory to be simple mantle melting residues after the extraction of mid-ocean ridge basalts at a spreading center. Rhenium-osmium isotope analysis is a powerful method to look through the effects of refertilization and to obtain constraints on the age of the melting that produced the refractory mantle protolith. Rhenium-depletion model ages of such anomalously refractory oceanic mantle rocks - found as abyssal peridotites or as mantle xenoliths on ocean islands - are typically >1 Ga, i.e., much older than the ridge system at which they were emplaced. In my contribution I will show results from two case studies of refertilized anciently depleted mantle rocks (Macquarie Island 'abyssal' peridotites and Lanzarote mantle xenoliths). Interestingly, very refractory oceanic mantle rocks from sites all around the world show recurring evidence for a Mesoproterozoic (~1.2-1.3 Ga) melting event [1]. Therefore, oceanic mantle rocks seem to preserve evidence for ancient melting events of global significance. Alternatively, such mantle rocks may be samples of rafts of ancient continental lithospheric mantle. Laser-ablation osmium isotope 'dating' of large populations of individual osmium-bearing alloys from mantle rocks is the key to better constrain the nature and significance of these ancient depletion events. Osmium-bearing alloys form when mantle rocks are melted to high-degrees. We have now extracted over >250 detrital osmium alloys from placer gold occurrences in the river Rhine. These alloys are derived from outcrops of ophiolitic mantle rocks in the Alps, which include blocks of mantle rocks emplaced within the Tethys Ocean, and ultramafic lenses of unknown (Precambrian?) age in the pre-Alpine Massifs. Populations of model ages of these Rhine alloys show prominent peaks at 0.5 and 1.2-1.3 Ga. The 1.2-1.3 Mesoproterozoic age peak recorded by the Rhine Os alloy population does also occur in Os alloy age distributions of other ophiolites worldwide, generally as a subsidiary peak [2]. In summary, osmium isotope model ages from mantle rocks and mantle-derived individual osmium alloys worldwide collectively point to a Mesoproterozoic, 1.2-1.3 Ga high-degree mantle melting event of global significance. This event may be related to a slab-avalanche or whole-mantle overturn event in Mesoproterozoic times. [1] Dijkstra et al. (2010) J. Petrology 51, 469-493 [2] Pearson et al. (2007) Nature 449, 202-205

Seeded Nanowire and Microwire Growth from Lithium Alloys.

PubMed

Han, Sang Yun; Boebinger, Matthew G; Kondekar, Neha P; Worthy, Trevor J; McDowell, Matthew T

2018-06-06

Although vapor-liquid-solid (VLS) growth of nanowires from alloy seed particles is common in various semiconductor systems, related wire growth in all-metal systems is rare. Here, we report the spontaneous growth of nano- and microwires from metal seed particles during the cooling of Li-rich bulk alloys containing Au, Ag, or In. The as-grown wires feature Au-, Ag-, or In-rich metal tips and LiOH shafts; the results indicate that the wires grow as Li metal and are converted to polycrystalline LiOH during and/or after growth due to exposure to H 2 O and O 2 . This new process is a simple way to create nanostructures, and the findings suggest that metal nanowire growth from alloy seeds is possible in a variety of systems.

Superhydrophobic aluminum alloy surfaces by a novel one-step process.

PubMed

Saleema, N; Sarkar, D K; Paynter, R W; Chen, X-G

2010-09-01

A simple one-step process has been developed to render aluminum alloy surfaces superhydrophobic by immersing the aluminum alloy substrates in a solution containing NaOH and fluoroalkyl-silane (FAS-17) molecules. Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and water contact angle measurements have been performed to characterize the morphological features, chemical composition and superhydrophobicity of the surfaces. The resulting surfaces provided a water contact angle as high as ∼162° and a contact angle hysteresis as low as ∼4°. The study indicates that it is possible to fabricate superhydrophobic aluminum surfaces easily and effectively without involving the traditional two-step processes.

Synthesis of ultrasmall, homogeneously alloyed, bimetallic nanoparticles on silica supports

NASA Astrophysics Data System (ADS)

Wong, A.; Liu, Q.; Griffin, S.; Nicholls, A.; Regalbuto, J. R.

2017-12-01

Supported nanoparticles containing more than one metal have a variety of applications in sensing, catalysis, and biomedicine. Common synthesis techniques for this type of material often result in large, unalloyed nanoparticles that lack the interactions between the two metals that give the particles their desired characteristics. We demonstrate a relatively simple, effective, generalizable method to produce highly dispersed, well-alloyed bimetallic nanoparticles. Ten permutations of noble and base metals (platinum, palladium, copper, nickel, and cobalt) were synthesized with average particle sizes from 0.9 to 1.4 nanometers, with tight size distributions. High-resolution imaging and x-ray analysis confirmed the homogeneity of alloying in these ultrasmall nanoparticles.

Spin-diffusions and diffusive molecular dynamics

NASA Astrophysics Data System (ADS)

Farmer, Brittan; Luskin, Mitchell; Plecháč, Petr; Simpson, Gideon

2017-12-01

Metastable configurations in condensed matter typically fluctuate about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of classical molecular dynamics (MD) methods and has spurned the development of a host of approximate algorithms. One recently proposed method is diffusive MD which aims at integrating a system of ordinary differential equations describing the likelihood of occupancy by one of two species, in the case of a binary alloy, while quasistatically evolving the locations of the atoms. While diffusive MD has shown itself to be efficient and provide agreement with observations, it is fundamentally a model, with unclear connections to classical MD. In this work, we formulate a spin-diffusion stochastic process and show how it can be connected to diffusive MD. The spin-diffusion model couples a classical overdamped Langevin equation to a kinetic Monte Carlo model for exchange amongst the species of a binary alloy. Under suitable assumptions and approximations, spin-diffusion can be shown to lead to diffusive MD type models. The key assumptions and approximations include a well-defined time scale separation, a choice of spin-exchange rates, a low temperature approximation, and a mean field type approximation. We derive several models from different assumptions and show their relationship to diffusive MD. Differences and similarities amongst the models are explored in a simple test problem.

Heats of Segregation of BCC Metals Using Ab Initio and Quantum Approximate Methods

NASA Technical Reports Server (NTRS)

Good, Brian; Chaka, Anne; Bozzolo, Guillermo

2003-01-01

Many multicomponent alloys exhibit surface segregation, in which the composition at or near a surface may be substantially different from that of the bulk. A number of phenomenological explanations for this tendency have been suggested, involving, among other things, differences among the components' surface energies, molar volumes, and heats of solution. From a theoretical standpoint, the complexity of the problem has precluded a simple, unified explanation, thus preventing the development of computational tools that would enable the identification of the driving mechanisms for segregation. In that context, we investigate the problem of surface segregation in a variety of bcc metal alloys by computing dilute-limit heats of segregation using both the quantum-approximate energy method of Bozzolo, Ferrante and Smith (BFS), and all-electron density functional theory. In addition, the composition dependence of the heats of segregation is investigated using a BFS-based Monte Carlo procedure, and, for selected cases of interest, density functional calculations. Results are discussed in the context of a simple picture that describes segregation behavior as the result of a competition between size mismatch and alloying effects

Electronic structure of alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ehrenreich, H.; Schwartz, L.M.

1976-01-01

The description of electronic properties of binary substitutional alloys within the single particle approximation is reviewed. Emphasis is placed on a didactic exposition of the equilibrium properties of the transport and magnetic properties of such alloys. Topics covered include: multiple scattering theory; the single band alloy; formal extensions of the theory; the alloy potential; realistic model state densities; the s-d model; and the muffin tin model. 43 figures, 3 tables, 151 references. (GHT)

Effect of cobalt on microstructure and properties of AlCr1.5CuFeNi2Cox high-entropy alloys

NASA Astrophysics Data System (ADS)

Kukshal, Vikas; Patnaik, Amar; Bhat, I. K.

2018-04-01

The present paper investigates the effect of Co addition on the alloying behaviour, microstructure and the resulting properties of cast AlCr1.5CuFeNi2Cox high-entropy alloys intended to be used for high temperature applications. The elements Al, Cr, Cu, Fe, Ni and Co (Purity > 99) weighing approximately 800 g was melted in a high temperature vacuum induction furnace. The microstructure, phase transformation, density, microhardness and compressive strength of the samples were analysed using x-ray diffraction (XRD), scanning electron microscopes (SEM), Vickers microhardness tester and universal Testing machine. The crystalline structure of the alloys exhibits simple FCC and BCC phases. The microstructures investigation of the alloys shows the segregation of copper in the interdendritic region resulting in Cu-rich FCC phase. The addition of Co further enhances the formation of FCC phase resulting in the decrease in micro hardness value of the alloys, which varies from 471 HV to 364 HV with increase in the cobalt content from x = 0 to x = 1 (molar ratio). The similar decreasing trend is also observed for the compressive strength of the alloys.

Facile formation of biomimetic color-tuned superhydrophobic magnesium alloy with corrosion resistance.

PubMed

Ishizaki, Takahiro; Sakamoto, Michiru

2011-03-15

The design of color-tuned magnesium alloy with anticorrosive properties and damping capacity was created by means of a simple and inexpensive method. The vertically self-aligned nano- and microsheets were formed on magnesium alloy AZ31 by a chemical-free immersion process in ultrapure water at a temperature of 120 °C, resulting in the color expression. The color changed from silver with metallic luster to some specific colors such as orange, green, and orchid, depending on the immersion time. The color-tuned magnesium alloy showed anticorrosive performance and damping capacity. In addition, the colored surface with minute surface textures was modified with n-octadecyltrimethoxysilane (ODS), leading to the formation of color-tuned superhydrophobic surfaces. The corrosion resistance of the color-tuned superhydrophobic magnesium alloy was also investigated using electrochemical potentiodynamic measurements. Moreover, the color-tuned superhydrophobic magnesium alloy showed high hydrophobicity not just for pure water but also for corrosive liquids, such as acidic, basic, and some aqueous salt solutions. In addition, the American Society for Testing and Materials (ASTM) standard D 3359-02 cross cut tape test was performed to investigate the adhesion of the color-tuned superhydrophobic film to the magnesium alloy surface.

Hydrogen-enabled microstructure and fatigue strength engineering of titanium alloys

NASA Astrophysics Data System (ADS)

Paramore, James D.; Fang, Zhigang Zak; Dunstan, Matthew; Sun, Pei; Butler, Brady G.

2017-02-01

Traditionally, titanium alloys with satisfactory mechanical properties can only be produced via energy-intensive and costly wrought processes, while titanium alloys produced using low-cost powder metallurgy methods consistently result in inferior mechanical properties, especially low fatigue strength. Herein, we demonstrate a new microstructural engineering approach for producing low-cost titanium alloys with exceptional fatigue strength via the hydrogen sintering and phase transformation (HSPT) process. The high fatigue strength presented in this work is achieved by creating wrought-like microstructures without resorting to wrought processing. This is accomplished by generating an ultrafine-grained as-sintered microstructure through hydrogen-enabled phase transformations, facilitating the subsequent creation of fatigue-resistant microstructures via simple heat treatments. The exceptional strength, ductility, and fatigue performance reported in this paper are a breakthrough in the field of low-cost titanium processing.

Hydrogen-enabled microstructure and fatigue strength engineering of titanium alloys

DOE PAGES

Paramore, James D.; Fang, Zhigang Zak; Dunstan, Matthew; ...

2017-02-01

Traditionally, titanium alloys with satisfactory mechanical properties can only be produced via energy-intensive and costly wrought processes, while titanium alloys produced using low-cost powder metallurgy methods consistently result in inferior mechanical properties, especially low fatigue strength. Herein, we demonstrate a new microstructural engineering approach for producing low-cost titanium alloys with exceptional fatigue strength via the hydrogen sintering and phase transformation (HSPT) process. The high fatigue strength presented in this work is achieved by creating wroughtlike microstructures without resorting to wrought processing. This is accomplished by generating an ultrafine-grained as-sintered microstructure through hydrogen-enabled phase transformations, facilitating the subsequent creation of fatigue-resistantmore » microstructures via simple heat treatments. Finally, the exceptional strength, ductility, and fatigue performance reported in this paper are a breakthrough in the field of low-cost titanium processing.« less

Hydrogen-enabled microstructure and fatigue strength engineering of titanium alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paramore, James D.; Fang, Zhigang Zak; Dunstan, Matthew

Traditionally, titanium alloys with satisfactory mechanical properties can only be produced via energy-intensive and costly wrought processes, while titanium alloys produced using low-cost powder metallurgy methods consistently result in inferior mechanical properties, especially low fatigue strength. Herein, we demonstrate a new microstructural engineering approach for producing low-cost titanium alloys with exceptional fatigue strength via the hydrogen sintering and phase transformation (HSPT) process. The high fatigue strength presented in this work is achieved by creating wroughtlike microstructures without resorting to wrought processing. This is accomplished by generating an ultrafine-grained as-sintered microstructure through hydrogen-enabled phase transformations, facilitating the subsequent creation of fatigue-resistantmore » microstructures via simple heat treatments. Finally, the exceptional strength, ductility, and fatigue performance reported in this paper are a breakthrough in the field of low-cost titanium processing.« less

Hydrogen-enabled microstructure and fatigue strength engineering of titanium alloys

PubMed Central

Paramore, James D.; Fang, Zhigang Zak; Dunstan, Matthew; Sun, Pei; Butler, Brady G.

2017-01-01

Traditionally, titanium alloys with satisfactory mechanical properties can only be produced via energy-intensive and costly wrought processes, while titanium alloys produced using low-cost powder metallurgy methods consistently result in inferior mechanical properties, especially low fatigue strength. Herein, we demonstrate a new microstructural engineering approach for producing low-cost titanium alloys with exceptional fatigue strength via the hydrogen sintering and phase transformation (HSPT) process. The high fatigue strength presented in this work is achieved by creating wrought-like microstructures without resorting to wrought processing. This is accomplished by generating an ultrafine-grained as-sintered microstructure through hydrogen-enabled phase transformations, facilitating the subsequent creation of fatigue-resistant microstructures via simple heat treatments. The exceptional strength, ductility, and fatigue performance reported in this paper are a breakthrough in the field of low-cost titanium processing. PMID:28145527

Gas Atomization of Molten Metal: Part I. Numerical Modeling Conception

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leon, Genaro Perez-de; Lamberti, Vincent E.; Seals, Roland D.

This numerical analysis study entails creating and assessing a model that is capable of simulating molten metal droplets and the production of metal powder during the Gas Atomization (GA) method. The essential goal of this research aims to gather more information on simulating the process of creating metal powder. The model structure and perspective was built through the application of governing equations and aspects that utilized factors such as gas dynamics, droplet dynamics, energy balance, heat transfer, fluid mechanics and thermodynamics that were proposed from previous studies. The model is very simple and can be broken down into having amore » set of inputs to produce outputs. The inputs are the processing parameters such as the initial temperature of the metal alloy, the gas pressure and the size of the droplets. Additional inputs include the selection of the metal alloy and the atomization gas and factoring in their properties. The outputs can be designated by the velocity and thermal profiles of the droplet and gas. These profiles illustrate the speed of both as well as the rate of temperature change or cooling rate of the droplets. Here, the main focus is the temperature change and finding the right parameters to ensure that the metal powder is efficiently produced. Once the model was conceptualized and finalized, it was employed to verify the results of other previous studies.« less

Gas Atomization of Molten Metal: Part I. Numerical Modeling Conception

DOE PAGES

Leon, Genaro Perez-de; Lamberti, Vincent E.; Seals, Roland D.; ...

2016-02-01

This numerical analysis study entails creating and assessing a model that is capable of simulating molten metal droplets and the production of metal powder during the Gas Atomization (GA) method. The essential goal of this research aims to gather more information on simulating the process of creating metal powder. The model structure and perspective was built through the application of governing equations and aspects that utilized factors such as gas dynamics, droplet dynamics, energy balance, heat transfer, fluid mechanics and thermodynamics that were proposed from previous studies. The model is very simple and can be broken down into having amore » set of inputs to produce outputs. The inputs are the processing parameters such as the initial temperature of the metal alloy, the gas pressure and the size of the droplets. Additional inputs include the selection of the metal alloy and the atomization gas and factoring in their properties. The outputs can be designated by the velocity and thermal profiles of the droplet and gas. These profiles illustrate the speed of both as well as the rate of temperature change or cooling rate of the droplets. Here, the main focus is the temperature change and finding the right parameters to ensure that the metal powder is efficiently produced. Once the model was conceptualized and finalized, it was employed to verify the results of other previous studies.« less

Composition dependence of solid-phase epitaxy in silicon-germanium alloys: Experiment and theory

NASA Astrophysics Data System (ADS)

Haynes, T. E.; Antonell, M. J.; Lee, C. Archie; Jones, K. S.

1995-03-01

The rates of solid-phase epitaxy (SPE) in unstrained Si1-xGex alloys have been measured by time-resolved reflectivity for eight different alloy compositions, including both Si-rich and Ge-rich layers. Amorphous layers 300-400 nm thick were first formed in 8-μm-thick, relaxed, epitaxial Si1-xGex layers (0.02<=x<=0.87) by ion implantation of Si+. For each composition, the measured SPE rates spanned approximately two orders of magnitude. The alloy SPE rates are shown to be related to the regrowth rates of the two pure elements by a simple equation expressed in terms of the composition parameter x and having no adjustable parameters. The form of this equation implies that crystallization occurs by a serial attachment process at the amorphous-crystal interface and that the rate of attachment of each individual atom is determined by the identities of its four nearest neighbors. Such a process is consistent with the dangling-bond model proposed by Spaepen and Turnbull [in Laser-Solid Interactions and Laser Processing, edited by S. D. Ferris, H. J. Leamy, and J. M. Poate, AIP Conf. Proc. No. 50 (AIP, New York, 1979)] if the SPE rate is limited by the migration rate of dangling bonds rather than by their formation rate. Based on this analysis, an interpretation is proposed for the anomalously large activation energies that have been measured for SPE in some Si-rich compositions.

Breaking through the strength-ductility trade-off dilemma in an Al-Si-based casting alloy.

PubMed

Dang, B; Zhang, X; Chen, Y Z; Chen, C X; Wang, H T; Liu, F

2016-08-09

Al-Si-based casting alloys have a great potential in various industrial applications. Common strengthening strategies on these alloys are accompanied inevitably by sacrifice of ductility, known as strength-ductility trade-off dilemma. Here, we report a simple route by combining rapid solidification (RS) with a post-solidification heat treatment (PHT), i.e. a RS + PHT route, to break through this dilemma using a commercial Al-Si-based casting alloy (A356 alloy) as an example. It is shown that yield strength and elongation to failure of the RS + PHT processed alloy are elevated simultaneously by increasing the cooling rate upon RS, which are not influenced by subsequent T6 heat treatment. Breaking through the dilemma is attributed to the hierarchical microstructure formed by the RS + PHT route, i.e. highly dispersed nanoscale Si particles in Al dendrites and nanoscale Al particles decorated in eutectic Si. Simplicity of the RS + PHT route makes it being suitable for industrial scaling production. The strategy of engineering microstructures offers a general pathway in tailoring mechanical properties of other Al-Si-based alloys. Moreover, the remarkably enhanced ductility of A356 alloy not only permits strengthening further the material by work hardening but also enables possibly conventional solid-state forming of the material, thus extending the applications of such an alloy.

Breaking through the strength-ductility trade-off dilemma in an Al-Si-based casting alloy

PubMed Central

Dang, B.; Zhang, X.; Chen, Y. Z.; Chen, C. X.; Wang, H. T.; Liu, F.

2016-01-01

Al-Si-based casting alloys have a great potential in various industrial applications. Common strengthening strategies on these alloys are accompanied inevitably by sacrifice of ductility, known as strength-ductility trade-off dilemma. Here, we report a simple route by combining rapid solidification (RS) with a post-solidification heat treatment (PHT), i.e. a RS + PHT route, to break through this dilemma using a commercial Al-Si-based casting alloy (A356 alloy) as an example. It is shown that yield strength and elongation to failure of the RS + PHT processed alloy are elevated simultaneously by increasing the cooling rate upon RS, which are not influenced by subsequent T6 heat treatment. Breaking through the dilemma is attributed to the hierarchical microstructure formed by the RS + PHT route, i.e. highly dispersed nanoscale Si particles in Al dendrites and nanoscale Al particles decorated in eutectic Si. Simplicity of the RS + PHT route makes it being suitable for industrial scaling production. The strategy of engineering microstructures offers a general pathway in tailoring mechanical properties of other Al-Si-based alloys. Moreover, the remarkably enhanced ductility of A356 alloy not only permits strengthening further the material by work hardening but also enables possibly conventional solid-state forming of the material, thus extending the applications of such an alloy. PMID:27502444

Release of Si from Silicon, a Ferrosilicon (FeSi) Alloy and a Synthetic Silicate Mineral in Simulated Biological Media

PubMed Central

Herting, Gunilla; Jiang, Tao; Sjöstedt, Carin; Odnevall Wallinder, Inger

2014-01-01

Unique quantitative bioaccessibility data has been generated, and the influence of surface/material and test media characteristics on the elemental release process were assessed for silicon containing materials in specific synthetic body fluids at certain time periods at a fixed loading. The metal release test protocol, elaborated by the KTH team, has previously been used for classification, ranking, and screening of different alloys and metals. Time resolved elemental release of Si, Fe and Al from particles, sized less than 50 µm, of two grades of metallurgical silicon (high purity silicon, SiHG, low purity silicon, SiLG), an alloy (ferrosilicon, FeSi) and a mineral (aluminium silicate, AlSi) has been investigated in synthetic body fluids of varying pH, composition and complexation capacity, simple models of for example dermal contact and digestion scenarios. Individual methods for analysis of released Si (as silicic acid, Si(OH)4) in synthetic body fluids using GF-AAS were developed for each fluid including optimisation of solution pH and graphite furnace parameters. The release of Si from the two metallurgical silicon grades was strongly dependent on both pH and media composition with the highest release in pH neutral media. No similar effect was observed for the FeSi alloy or the aluminium silicate mineral. Surface adsorption of phosphate and lactic acid were believed to hinder the release of Si whereas the presence of citric acid enhanced the release as a result of surface complexation. An increased presence of Al and Fe in the material (low purity metalloid, alloy or mineral) resulted in a reduced release of Si in pH neutral media. The release of Si was enhanced for all materials with Al at their outermost surface in acetic media. PMID:25225879

Fabrication of cobalt-nickel binary nanowires in a highly ordered alumina template via AC electrodeposition

PubMed Central

2013-01-01

Cobalt-nickel (Co-Ni) binary alloy nanowires of different compositions were co-deposited in the nanopores of highly ordered anodic aluminum oxide (AAO) templates from a single sulfate bath using alternating current (AC) electrodeposition. AC electrodeposition was accomplished without modifying or removing the barrier layer. Field emission scanning electron microscope was used to study the morphology of templates and alloy nanowires. Energy-dispersive X-ray analysis confirmed the deposition of Co-Ni alloy nanowires in the AAO templates. Average diameter of the alloy nanowires was approximately 40 nm which is equal to the diameter of nanopore. X-ray diffraction analysis showed that the alloy nanowires consisted of both hexagonal close-packed and face-centered cubic phases. Magnetic measurements showed that the easy x-axis of magnetization is parallel to the nanowires with coercivity of approximately 706 Oe. AC electrodeposition is very simple, fast, and is useful for the homogenous deposition of various secondary nanostuctured materials into the nanopores of AAO. PMID:23941234

Cu-Au Alloys Using Monte Carlo Simulations and the BFS Method for Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Good, Brian; Ferrante, John

1996-01-01

Semi empirical methods have shown considerable promise in aiding in the calculation of many properties of materials. Materials used in engineering applications have defects that occur for various reasons including processing. In this work we present the first application of the BFS method for alloys to describe some aspects of microstructure due to processing for the Cu-Au system (Cu-Au, CuAu3, and Cu3Au). We use finite temperature Monte Carlo calculations, in order to show the influence of 'heat treatment' in the low-temperature phase of the alloy. Although relatively simple, it has enough features that could be used as a first test of the reliability of the technique. The main questions to be answered in this work relate to the existence of low temperature ordered structures for specific concentrations, for example, the ability to distinguish between rather similar phases for equiatomic alloys (CuAu I and CuAu II, the latter characterized by an antiphase boundary separating two identical phases).

Microstructure and Tribological Properties of AlCoCrFeNiTi0.5 High-Entropy Alloy in Hydrogen Peroxide Solution

NASA Astrophysics Data System (ADS)

Yu, Y.; Liu, W. M.; Zhang, T. B.; Li, J. S.; Wang, J.; Kou, H. C.; Li, J.

2014-01-01

Microstructure and tribological properties of an AlCoCrFeNiTi0.5 high-entropy alloy in high-concentration hydrogen peroxide solution were investigated in this work. The results show that the sigma phase precipitates and the content of bcc2 decrease during the annealing process. Meanwhile, the complex construction of the interdendrite region changes into simple isolated-island shape, and much more spherical precipitates are formed. Those changes of microstructure during the annealing process lead to the increase of hardness of this alloy. In the testing conditions, the AlCoCrFeNiTi0.5 alloy shows smoother worn surfaces and steadier coefficient of friction curves than does the 1Cr18Ni9Ti stainless steel, and SiC ceramic preserves better wear resistance than ZrO2 ceramic. After annealing, the wear resistance of the AlCoCrFeNiTi0.5 alloy increases coupled with SiC counterface but decreases with ZrO2 counterface.

CuO-induced signal amplification strategy for multiplexed photoelectrochemical immunosensing using CdS sensitized ZnO nanotubes arrays as photoactive material and AuPd alloy nanoparticles as electron sink.

PubMed

Sun, Guoqiang; Zhang, Yan; Kong, Qingkun; Zheng, Xiaoxiao; Yu, Jinghua; Song, Xianrang

2015-04-15

In this work, multiplexed photoelectrochemical (PEC) immunoassays are introduced into an indium tin oxide (ITO) device. Firstly, the ITO device is fabricated using a simple acid etch treatment method. Secondly, AuPd alloy nanoparticles are electro-deposited on ITO working electrodes as electron sink to construct the immunosensor platform. After that, ZnO nanotubes (ZNTs) arrays are synthesized via chemical etching of ZnO nanorods that are grown on AuPd surface by electrochemical deposition method. Subsequently, CdS is electro-deposited on ZNTs arrays and used as photoactive material. Then, CuO nanoseeds are labeled with signal antibodies and firstly used as PEC signal amplification label. The introduction of CuO brings signal amplification because of the conduction band (CB) of both CuO and ZnO are lower than that of CdS, CuO will compete the photo-induced electrons in CB of CdS with ZnO, leading to the decrease of the photocurrent intensity. Using cancer antigen 125, prostate specific antigen and α-fetoprotein as model analytes, the proposed immunoassay exhibits excellent precision and sensitivity. Meanwhile, this work provides a promising, addressable and simple strategy for the multi-detection of tumor markers. Copyright © 2014 Elsevier B.V. All rights reserved.

Factors affecting the strength of multipass low-alloy steel weld metal

NASA Technical Reports Server (NTRS)

Krantz, B. M.

1972-01-01

The mechanical properties of multipass high-strength steel weld metals depend upon several factors, among the most important being: (1) The interaction between the alloy composition and weld metal cooling rate which determines the as-deposited microstructure; and (2) the thermal effects of subsequent passes on each underlying pass which alter the original microstructure. The bulk properties of a multipass weld are therefore governed by both the initial microstructure of each weld pass and its subsequent thermal history. Data obtained for a high strength low alloy steel weld metal confirmed that a simple correlation exists between mechanical properties and welding conditions if the latter are in turn correlated as weld cooling rate.

A microstructure-based yield stress and work-hardening model for textured 6xxx aluminium alloys

NASA Astrophysics Data System (ADS)

Khadyko, M.; Myhr, O. R.; Dumoulin, S.; Hopperstad, O. S.

2016-04-01

The plastic properties of an aluminium alloy are defined by its microstructure. The most important factors are the presence of alloying elements in the form of solid solution and precipitates of various sizes, and the crystallographic texture. A nanoscale model that predicts the work-hardening curves of 6xxx aluminium alloys was proposed by Myhr et al. The model predicts the solid solution concentration and the particle size distributions of different types of metastable precipitates from the chemical composition and thermal history of the alloy. The yield stress and the work hardening of the alloy are then determined from dislocation mechanics. The model was largely used for non-textured materials in previous studies. In this work, a crystal plasticity-based approach is proposed for the work hardening part of the nanoscale model, which allows including the influence of the crystallographic texture. The model is evaluated by comparison with experimental data from uniaxial tensile tests on two textured 6xxx alloys in five temper conditions.

Influence of Thin-Film Adhesives in Pullout Tests Between Nickel-Titanium Shape Memory Alloy and Carbon Fiber-Reinforced Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Quade, Derek J.; Jana, Sadhan; McCorkle, Linda S.

2018-01-01

Strips of nickel-titanium (NiTi) shape memory alloy (SMA) and carbon fiber-reinforced polymer matrix composite (PMC) were bonded together using multiple thin film adhesives and their mechanical strengths were evaluated under pullout test configuration. Tensile and lap shear tests were conducted to confirm the deformation of SMAs at room temperature and to evaluate the adhesive strength between the NiTi strips and the PMC. Optical and scanning electron microscopy techniques were used to examine the interfacial bonding after failure. Simple equations on composite tensile elongation were used to fit the experimental data on tensile properties. ABAQUS models were generated to show the effects of enhanced bond strength and the distribution of stress in SMA and PMC. The results revealed that the addition of thin film adhesives increased the average adhesive strength between SMA and PMC while halting the room temperature shape memory effect within the pullout specimen.

Autonomous Repair Mechanism of Creep Damage in Fe-Au and Fe-Au-B-N Alloys

NASA Astrophysics Data System (ADS)

Zhang, S.; Kwakernaak, C.; Tichelaar, F. D.; Sloof, W. G.; Kuzmina, M.; Herbig, M.; Raabe, D.; Brück, E.; van der Zwaag, S.; van Dijk, N. H.

2015-12-01

The autonomous repair mechanism of creep cavitation during high-temperature deformation has been investigated in Fe-Au and Fe-Au-B-N alloys. Combined electron-microscopy techniques and atom probe tomography reveal how the improved creep properties result from Au precipitation within the creep cavities, preferentially formed on grain boundaries oriented perpendicular to the applied stress. The selective precipitation of Au atoms at the free creep cavity surface results in pore filling, and thereby, autonomous repair of the creep damage. The large difference in atomic size between the Au and Fe strongly hampers the nucleation of precipitates in the matrix. As a result, the matrix acts as a reservoir for the supersaturated solute until damage occurs. Grain boundaries and dislocations are found to act as fast transport routes for solute gold from the matrix to the creep cavities. The mechanism responsible for the self-healing can be characterized by a simple model for cavity growth and cavity filling.

Rapid correction of electron microprobe data for multicomponent metallic systems

NASA Technical Reports Server (NTRS)

Gupta, K. P.; Sivakumar, R.

1973-01-01

This paper describes an empirical relation for the correction of electron microprobe data for multicomponent metallic systems. It evaluates the empirical correction parameter, a for each element in a binary alloy system using a modification of Colby's MAGIC III computer program and outlines a simple and quick way of correcting the probe data. This technique has been tested on a number of multicomponent metallic systems and the agreement with the results using theoretical expressions is found to be excellent. Limitations and suitability of this relation are discussed and a model calculation is also presented in the Appendix.

Photoconductivity response time in amorphous semiconductors

NASA Astrophysics Data System (ADS)

Adriaenssens, G. J.; Baranovskii, S. D.; Fuhs, W.; Jansen, J.; Öktü, Ö.

1995-04-01

The photoconductivity response time of amorphous semiconductors is examined theoretically on the basis of standard definitions for free- and trapped-carrier lifetimes, and experimentally for a series of a-Si1-xCx:H alloys with x<0.1. Particular attention is paid to its dependence on carrier generation rate and temperature. As no satisfactory agreement between models and experiments emerges, a simple theory is developed that can account for the experimental observations on the basis of the usual multiple-trappping ideas, provided a small probability of direct free-carrier recombination is included. The theory leads to a stretched-exponential photocurrent decay.

Calculation of the Schottky barrier and current–voltage characteristics of metal–alloy structures based on silicon carbide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Altuhov, V. I., E-mail: altukhovv@mail.ru; Kasyanenko, I. S.; Sankin, A. V.

2016-09-15

A simple but nonlinear model of the defect density at a metal–semiconductor interface, when a Schottky barrier is formed by surface defects states localized at the interface, is developed. It is shown that taking the nonlinear dependence of the Fermi level on the defect density into account leads to a Schottky barrier increase by 15–25%. The calculated barrier heights are used to analyze the current–voltage characteristics of n-M/p-(SiC){sub 1–x}(AlN){sub x} structures. The results of calculations are compared to experimental data.

Crystallographic features of the approximant H (Mn7Si2V) phase in the Mn-Si-V alloy system

NASA Astrophysics Data System (ADS)

Nakayama, Kei; Komatsuzaki, Takumi; Koyama, Yasumasa

2018-07-01

The intermetallic compound H (Mn7Si2V) phase in the Mn-Si-V alloy system can be regarded as an approximant phase of the dodecagonal quasicrystal as one of the two-dimensional quasicrystals. To understand the features of the approximant H phase, in this study, the crystallographic features of both the H phase and the (σ → H) reaction in Mn-Si-V alloy samples were investigated, mainly by transmission electron microscopy. It was found that, in the H phase, there were characteristic structural disorders with respect to an array of a dodecagonal structural unit consisting of 19 dodecagonal atomic columns. Concretely, penetrated structural units consisting of two dodecagonal structural units were presumed to be typical of such disorders. An interesting feature of the (σ → H) reaction was that regions with a rectangular arrangement of penetrated structural units (RAPU) first appeared in the σ matrix as the initial state, and H regions were then nucleated in contact with RAPU regions. The subsequent conversion of RAPU regions into H regions eventually resulted in the formation of the approximant H state as the final state. Furthermore, atomic positions in both the H structure and the dodecagonal quasicrystal were examined using a simple plane-wave model with 12 plane waves.

Mechanical properties of neutron-irradiated model and commercial FeCrAl alloys

NASA Astrophysics Data System (ADS)

Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; Howard, Richard H.; Yamamoto, Yukinori

2017-06-01

The development and understanding of the mechanical properties of neutron-irradiated FeCrAl alloys is increasingly a critical need as these alloys continue to become more mature for nuclear reactor applications. This study focuses on the mechanical properties of model FeCrAl alloys and of a commercial FeCrAl alloy neutron-irradiated to up to 13.8 displacements per atom (dpa) at irradiation temperatures between 320 and 382 °C. Tensile tests were completed at room temperature and at 320 °C, and a subset of fractured tensile specimens was examined by scanning electron microscopy. Results showed typical radiation hardening and embrittlement indicative of high chromium ferritic alloys with strong chromium composition dependencies at lower doses. At and above 7.0 dpa, the mechanical properties saturated for both the commercial and model FeCrAl alloys, although brittle cleavage fracture was observed at the highest dose in the model FeCrAl alloy with the highest chromium content (18 wt %). The results suggest the composition and microstructure of FeCrAl alloys plays a critical role in the mechanical response of FeCrAl alloys irradiated near temperatures relevant to light water reactors.

Thermo-Mechanical Methodology for Stabilizing Shape Memory Alloy Response

NASA Technical Reports Server (NTRS)

Padula, Santo

2013-01-01

This innovation is capable of significantly reducing the amount of time required to stabilize the strain-temperature response of a shape memory alloy (SMA). Unlike traditional stabilization processes that take days to weeks to achieve stabilized response, this innovation accomplishes stabilization in a matter of minutes, thus making it highly useful for the successful and practical implementation of SMA-based technologies in real-world applications. The innovation can also be applied to complex geometry components, not just simple geometries like wires or rods.

An empirical relationship for homogenization in single-phase binary alloy systems

NASA Technical Reports Server (NTRS)

Unnam, J.; Tenney, D. R.; Stein, B. A.

1979-01-01

A semiempirical formula is developed for describing the extent of interaction between constituents in single-phase binary alloy systems with planar, cylindrical, or spherical interfaces. The formula contains two parameters that are functions of mean concentration and interface geometry of the couple. The empirical solution is simple, easy to use, and does not involve sequential calculations, thereby allowing quick estimation of the extent of interactions without lengthy calculations. Results obtained with this formula are in good agreement with those from a finite-difference analysis.

Heated Aluminum Tanks Resist Corrosion

NASA Technical Reports Server (NTRS)

Johnson, L. E.

1983-01-01

Simple expedient of heating foam-insulated aluminum alloy tanks prevents corrosion by salt-laden moisture. Relatively-small temperature difference between such tank and surrounding air will ensure life of tank is extended by many years.

Production of Oxidation-Resistant Cu-Based Nanoparticles by Wire Explosion

PubMed Central

Kawamura, Go; Alvarez, Samuel; Stewart, Ian E.; Catenacci, Matthew; Chen, Zuofeng; Ha, Yoon-Cheol

2015-01-01

The low performance or high cost of commercially available conductive inks limits the advancement of printed electronics. This article studies the explosion of metal wires in aqueous solutions as a simple, low-cost, and environmentally friendly method to prepare metallic nanoparticles consisting of Cu and Cu alloys for use in affordable, highly conductive inks. Addition of 0.2 M ascorbic acid to an aqueous explosion medium prevented the formation of Cu2O shells around Cu nanoparticles, and allowed for the printing of conductive lines directly from these nanoparticles with no post-treatment. Cu alloy nanoparticles were generated from metal wires that were alloyed as purchased, or from two wires of different metals that were twisted together. Cu nanoparticles alloyed with 1% Sn, 5% Ag, 5% Ni and 30% Ni had electrical conductivities similar to Cu but unlike Cu, remained conductive after 24 hrs at 85 °C and 85% RH. PMID:26669447

Numerical simulation of damage evolution for ductile materials and mechanical properties study

NASA Astrophysics Data System (ADS)

El Amri, A.; Hanafi, I.; Haddou, M. E. Y.; Khamlichi, A.

2015-12-01

This paper presents results of a numerical modelling of ductile fracture and failure of elements made of 5182H111 aluminium alloys subjected to dynamic traction. The analysis was performed using Johnson-Cook model based on ABAQUS software. The modelling difficulty related to prediction of ductile fracture mainly arises because there is a tremendous span of length scales from the structural problem to the micro-mechanics problem governing the material separation process. This study has been used the experimental results to calibrate a simple crack propagation criteria for shell elements of which one has often been used in practical analyses. The performance of the proposed model is in general good and it is believed that the presented results and experimental-numerical calibration procedure can be of use in practical finite-element simulations.

Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.

Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signsmore » of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.« less

Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys

DOE PAGES

Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.; ...

2017-07-06

Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signsmore » of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.« less

Collective thermal transport in pure and alloy semiconductors.

PubMed

Torres, Pol; Mohammed, Amr; Torelló, Àlvar; Bafaluy, Javier; Camacho, Juan; Cartoixà, Xavier; Shakouri, Ali; Alvarez, F Xavier

2018-03-07

Conventional models for predicting thermal conductivity of alloys usually assume a pure kinetic regime as alloy scattering dominates normal processes. However, some discrepancies between these models and experiments at very small alloy concentrations have been reported. In this work, we use the full first principles kinetic collective model (KCM) to calculate the thermal conductivity of Si 1-x Ge x and In x Ga 1-x As alloys. The calculated thermal conductivities match well with the experimental data for all alloy concentrations. The model shows that the collective contribution must be taken into account at very low impurity concentrations. For higher concentrations, the collective contribution is suppressed, but normal collisions have the effect of significantly reducing the kinetic contribution. The study thus shows the importance of the proper inclusion of normal processes even for alloys for accurate modeling of thermal transport. Furthermore, the phonon spectral distribution of the thermal conductivity is studied in the framework of KCM, providing insights to interpret the superdiffusive regime introduced in the truncated Lévy flight framework.

Computational Multi-Scale Modeling of the Microstructure and Segregation of Cast Mg Alloys at Low Superheat

NASA Astrophysics Data System (ADS)

Nastac, Laurentiu; El-Kaddah, Nagy

It is well known that casting at low superheat has a strong influence on the solidification structures of the cast alloy. Recent studies on casting magnesium AZ alloys at low superheat using the Magnetic Suspension Melting (MSM) process have shown that the cast alloy exhibit a fine globular grain structure, and the grain size depend on the cooling rate. This paper describes a stochastic mesoscopic model for predicting the grain structure and segregation in cast alloys at low superheat. This model was applied to predict the globular solidification morphology and solute redistribution of Al in cast Mg AZ31B alloy at different cooling rates. The predictions were found to be in good agreement with the observed grain structure and Al segregation. This makes the model a very useful tool for optimizing the solidification structure of cast magnesium alloys.

Electrochemical formation of a Pt/Zn alloy and its use as a catalyst for oxygen reduction reaction in fuel cells.

PubMed

Sode, Aya; Li, Winton; Yang, Yanguo; Wong, Phillip C; Gyenge, Elod; Mitchell, Keith A R; Bizzotto, Dan

2006-05-04

The characterization of an electrochemically created Pt/Zn alloy by Auger electron spectroscopy is presented indicating the formation of the alloy, the oxidation of the alloy, and the room temperature diffusion of the Zn into the Pt regions. The Pt/Zn alloy is stable up to 1.2 V/RHE and can only be removed with the oxidation of the base Pt metal either electrochemically or in aqua regia. The Pt/Zn alloy was tested for its effectiveness toward oxygen reduction. Kinetics of the oxygen reduction reaction (ORR) were measured using a rotating disk electrode (RDE), and a 30 mV anodic shift in the potential of ORR was found when comparing the Pt/Zn alloy to Pt. The Tafel slope was slightly smaller than that measured for the pure Pt electrode. A simple procedure for electrochemically modifying a Pt-containing gas diffusion electrode (GDE) with Zn was developed. The Zn-treated GDE was pressed with an untreated GDE anode, and the created membrane electrode assembly was tested. Fuel cell testing under two operating conditions (similar anode and cathode inlet pressures, and a larger cathode inlet pressure) indicated that the 30 mV shift observed on the RDE was also evident in the fuel cell tests. The high stability of the Pt/Zn alloy in acidic environments has a potential benefit for fuel cell applications.

Fabrication of dopamine-modified hyaluronic acid/chitosan multilayers on titanium alloy by layer-by-layer self-assembly for promoting osteoblast growth

NASA Astrophysics Data System (ADS)

Zhang, Xinming; Li, Zhaoyang; Yuan, Xubo; Cui, Zhenduo; Yang, Xianjin

2013-11-01

The bare inert surface of titanium (Ti) alloy typically causes early failures in implants. Layer-by-layer self-assembly is one of the simple methods for fabricating bioactive multilayer coatings on titanium implants. In this study, a dopamine-modified hyaluronic acid/chitosan (DHA/CHI) bioactive multilayer was built on the surface of Ti-24Nb-2Zr (TNZ) alloy. Zeta potential oscillated between -2 and 17 mV for DHA- and CHI-ending layers during the assembly process, respectively. The DHA/CHI multilayer considerably decreased the contact angle and dramatically improved the wettability of TNZ alloy. Atomic force microscopy results revealed a rough surface on the original TNZ alloy, while the surface became smoother and more homogeneous after the deposition of approximately 5 bilayers (TNZ/(DHA/CHI)5). X-ray photoelectron spectroscopy analysis indicated that the TNZ/(DHA/CHI)5 sample was completely covered by polyelectrolytes. Pre-osteoblast MC3T3-E1 cells were cultured on the original TNZ alloy and TNZ/(DHA/CHI)5 to evaluate the effects of DHA/CHI multilayer on osteoblast proliferation in vitro. The proliferation of osteoblasts on TNZ/(DHA/CHI)5 was significantly higher than that on the original TNZ alloy. The results of this study indicate that the proposed technique improves the biocompatibility of TNZ alloy and can serve as a potential modification method in orthopedic applications.

Predicting the Oxidation/Corrosion Performance of Structural Alloys in Supercritical CO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wright, Ian; Kung, Steven; Shingledecker, John

This project was the first research to address oxidation of alloys under supercritical CO 2 conditions relevant to a semi-open Allam Cycle system. The levels of impurities expected in the CO 2 for typical operation were determined by thermodynamic and mass balance calculations, and a test rig was assembled and used to run corrosion tests at temperatures from 650 to 750°C in CO 2 at 200 bar for up to 5,000h, with and without impurities. Oxidation rates were measured for seven alloys representing high-strength ferritic steels, standard austenitic steels, and Ni-based alloys with higher-temperature capabilities. The very thin, protective scalesmore » formed on the high-temperature alloys provided significant challenges in characterization and thickness measurement. The rates of mass gain and scale thickening were possibly slower when oxidizing impurities were present in the sCO 2, and the scale morphologies formed on the ferritic and austenitic steels were consistent with expectations, and similar to those formed in high-pressure steam, with some potential influences of C. Some surface hardening (possibly due to carbon uptake) was identified in ferritic steels Grade 91 and VM12, and appeared more severe in commercially-pure CO 2. Hardening was also observed in austenitic steel TP304H, but that in HR3C appeared anomalous, probably the result of work-hardening from specimen preparation. No hardening was found in Ni-base alloys IN617 and IN740H. An existing EPRI Oxide Exfoliation Model was modified for this application and used to evaluate the potential impact of the scales grown in sCO 2 on service lifetimes in compact heat exchanger designs. Results suggested that reduction in flow area by simple oxide growth as well as by accumulation of exfoliated scale may have a major effect on the design of small-channel heat exchangers. In addition, the specific oxidation behavior of each alloy strongly influences the relationship of channel wall thickness to service lifetime.« less

Microstructures of tribologically modified surface layers in two-phase alloys

NASA Astrophysics Data System (ADS)

Figueroa, C. G.; Ortega, I.; Jacobo, V. H.; Ortiz, A.; Bravo, A. E.; Schouwenaars, R.

2014-08-01

When ductile alloys are subject to sliding wear, small increments of plastic strain accumulate into severe plastic deformation and mechanical alloying of the surface layer. The authors constructed a simple coaxial tribometer, which was used to study this phenomenon in wrought Al-Sn and cast Cu-Mg-Sn alloys. The first class of materials is ductile and consists of two immiscible phases. Tribological modification is observed in the form of a transition zone from virgin material to severely deformed grains. At the surface, mechanical mixing of both phases competes with diffusional unmixing. Vortex flow patterns are typically observed. The experimental Cu-Mg-Sn alloys are ductile for Mg-contents up to 2 wt% and consist of a- dendrites with a eutectic consisting of a brittle Cu2Mg-matrix with α-particles. In these, the observations are similar to the Al-Sn Alloys. Alloys with 5 wt% Mg are brittle due to the contiguity of the eutectic compound. Nonetheless, under sliding contact, this compound behaves in a ductile manner, showing mechanical mixing of a and Cu2Mg in the top layers and a remarkable transition from a eutectic to cellular microstructure just below, due to severe shear deformation. AFM-observations allow identifying the mechanically homogenized surface layers as a nanocrystalline material with a cell structure associated to the sliding direction.

Understanding the bond-energy, hardness, and adhesive force from the phase diagram via the electron work function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Hao; Huang, Xiaochen; Li, Dongyang, E-mail: dongyang.li@ualberta.ca

2014-11-07

Properties of metallic materials are intrinsically determined by their electron behavior. However, relevant theoretical treatment involving quantum mechanics is complicated and difficult to be applied in materials design. Electron work function (EWF) has been demonstrated to be a simple but fundamental parameter which well correlates properties of materials with their electron behavior and could thus be used to predict material properties from the aspect of electron activities in a relatively easy manner. In this article, we propose a method to extract the electron work functions of binary solid solutions or alloys from their phase diagrams and use this simple approachmore » to predict their mechanical strength and surface properties, such as adhesion. Two alloys, Fe-Ni and Cu-Zn, are used as samples for the study. EWFs extracted from phase diagrams show same trends as experimentally observed ones, based on which hardness and surface adhesive force of the alloys are predicted. This new methodology provides an alternative approach to predict material properties based on the work function, which is extractable from the phase diagram. This work may also help maximize the power of phase diagram for materials design and development.« less

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties

NASA Astrophysics Data System (ADS)

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-10-01

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors.

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties.

PubMed

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-10-12

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors.

Influence of Al content on non-equilibrium solidification behavior of Ni-Al-Ta model single crystal alloys

NASA Astrophysics Data System (ADS)

Ai, Cheng; Zhou, Jian; Zhang, Heng; Zhao, Xinbao; Pei, Yanling; Li, Shusuo; Gong, Shengkai

2016-01-01

The non-equilibrium solidification behaviors of five Ni-Al-Ta ternary model single crystal alloys with different Al contents were investigated by experimental analysis and theoretical calculation (by JMatPro) in this study. These model alloys respectively represented the γ' phase with various volume fractions (100%, 75%, 50%, 25% and 0%) at 900 °C. It was found that with decreasing Al content, liquidus temperature of experimental alloys first decreased and then increased. Meanwhile, the solidification range showed a continued downward trend. In addition, with decreasing Al content, the primary phases of non-equilibrium solidified model alloys gradually transformed from γ' phase to γ phase, and the area fraction of which first decreased and then increased. Moreover, the interdendritic/intercellular precipitation of model alloys changed from β phase (for 100% γ') to (γ+γ')Eutectic (for 75% γ'), (γ+γ')Eutectic+γ' (for 50% γ' and 25% γ') and none interdendritic precipitation (for 0% γ'), and the last stage non-equilibrium solidification sequence of model alloys was determined by the nominal Al content and different microsegregation behaviors of Al element.

Equal channel angular extrusion for bulk processing of Fe–Co–2V soft magnetic alloys, part II: Texture analysis and magnetic properties

DOE PAGES

Kustas, Andrew B.; Michael, Joseph R.; Susan, Don F.; ...

2018-06-04

In Part I, equal channel angular extrusion (ECAE) was demonstrated as a novel, simple-shear deformation process for producing bulk forms of the low ductility Fe–Co–2V (Hiperco 50A®) soft ferromagnetic alloy with refined grain sizes. Microstructures and mechanical properties were discussed. In this Part II contribution, the crystallographic textures and quasi-static magnetic properties of ECAE-processed Hiperco were characterized. The textures were of a simple-shear character defined by partial {110} and <111> fibers inclined relative to the extrusion direction, in agreement with the expectations for simple-shear deformation textures of BCC metals. These textures were observed throughout all processing conditions and only slightlymore » reduced in intensity by subsequent recrystallization heat treatments. Characterization of the magnetic properties revealed a lower coercivity and higher permeability for ECAE-processed Hiperco specimens relative to the conventionally processed and annealed Hiperco bar. In conclusion, the effects of the resultant microstructure and texture on the coercivity and permeability magnetic properties are discussed.« less

Equal channel angular extrusion for bulk processing of Fe–Co–2V soft magnetic alloys, part II: Texture analysis and magnetic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kustas, Andrew B.; Michael, Joseph R.; Susan, Don F.

In Part I, equal channel angular extrusion (ECAE) was demonstrated as a novel, simple-shear deformation process for producing bulk forms of the low ductility Fe–Co–2V (Hiperco 50A®) soft ferromagnetic alloy with refined grain sizes. Microstructures and mechanical properties were discussed. In this Part II contribution, the crystallographic textures and quasi-static magnetic properties of ECAE-processed Hiperco were characterized. The textures were of a simple-shear character defined by partial {110} and <111> fibers inclined relative to the extrusion direction, in agreement with the expectations for simple-shear deformation textures of BCC metals. These textures were observed throughout all processing conditions and only slightlymore » reduced in intensity by subsequent recrystallization heat treatments. Characterization of the magnetic properties revealed a lower coercivity and higher permeability for ECAE-processed Hiperco specimens relative to the conventionally processed and annealed Hiperco bar. In conclusion, the effects of the resultant microstructure and texture on the coercivity and permeability magnetic properties are discussed.« less

Constitutive behavior of tantalum and tantalum-tungsten alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, S.R.; Gray, G.T. III

1996-10-01

The effects of strain rate, temperature, and tungsten alloying on the yield stress and the strain-hardening behavior of tantalum were investigated. The yield and flow stresses of unalloyed Ta and tantalum-tungsten alloys were found to exhibit very high rate sensitivities, while the hardening rates in Ta and Ta-W alloys were found to be insensitive to strain rate and temperature at lower temperatures or at higher strain rates. This behavior is consistent with the observation that overcoming the intrinsic Peierls stress is shown to be the rate-controlling mechanism in these materials at low temperatures. The dependence of yield stress on temperaturemore » and strain rate was found to decrease, while the strain-hardening rate increased with tungsten alloying content. The mechanical threshold stress (MTS) model was adopted to model the stress-strain behavior of unalloyed Ta and the Ta-W alloys. Parameters for the constitutive relations for Ta and the Ta-W alloys were derived for the MTS model, the Johnson-Cook (JC), and the Zerilli-Armstrong (ZA) models. The results of this study substantiate the applicability of these models for describing the high strain-rate deformation of Ta and Ta-W alloys. The JC and ZA models, however, due to their use of a power strain-hardening law, were found to yield constitutive relations for Ta and Ta-W alloys that are strongly dependent on the range of strains for which the models were optimized.« less

Structural and magnetic properties of FexNi100-x alloys synthesized using Al as a reducing metal

NASA Astrophysics Data System (ADS)

Srakaew, N.; Jantaratana, P.; Nipakul, P.; Sirisathitkul, C.

2017-08-01

Iron-nickel (Fe-Ni) alloys comprising nine different compositions were rapidly synthesized from the redox reaction using aluminum foils as the reducing metal. Compared with conventional chemical syntheses, this simple approach is relatively safe and allows control over the alloy morphology and magnetic behavior as a function of the alloy composition with minimal oxidation. For alloys having low (10%-30%) Fe content the single face-centered cubic (FCC) FeNi3 phase was formed with nanorods aligned in the (1 1 1) crystalline direction on the cluster surface. This highly anisotropic morphology gradually disappeared as the Fe content was raised to 40%-70% with the alloy structure possessing a mixture of FCC FeNi3 and body-centered cubic (BCC) Fe7Ni3. The FCC phase was entirely replaced by the BCC structure upon further increase the Fe content to 80%-90%. The substitution of Ni by Fe in the crystals and the dominance of the BCC phase over the FCC structure gave rise to enhanced magnetization. By contrast, the coercive field decreased as a function of increasing Fe because of the reduction in shape anisotropy and the rise of saturation magnetization.

Criteria for predicting the formation of single-phase high-entropy alloys

DOE PAGES

Troparevsky, M Claudia; Morris, James R..; Kent, Paul R.; ...

2015-03-15

High entropy alloys constitute a new class of materials whose very existence poses fundamental questions. Originally thought to be stabilized by the large entropy of mixing, these alloys have attracted attention due to their potential applications, yet no model capable of robustly predicting which combinations of elements will form a single-phase currently exists. Here we propose a model that, through the use of high-throughput computation of the enthalpies of formation of binary compounds, is able to confirm all known high-entropy alloys while rejecting similar alloys that are known to form multiple phases. Despite the increasing entropy, our model predicts thatmore » the number of potential single-phase multicomponent alloys decreases with an increasing number of components: out of more than two million possible 7-component alloys considered, fewer than twenty single-phase alloys are likely.« less

Nitrate reduction in water by aluminum alloys particles.

PubMed

Bao, Zunsheng; Hu, Qing; Qi, Weikang; Tang, Yang; Wang, Wei; Wan, Pingyu; Chao, Jingbo; Yang, Xiao Jin

2017-07-01

Nano zero-valent iron (NZVI) particles have been extensively investigated for nitrate reduction in water. However, the reduction by NZVI requires acidic pH conditions and the final product is exclusively ammonium, leading to secondary contamination. In addition, nanomaterials have potential threats to environment and the transport and storage of nanomaterials are of safety concerns. Aluminum, the most abundant metal element in the earth's crust, is able to reduce nitrate, but the passivation of aluminum limits its application. Here we report Al alloys (85% Al) with Fe, Cu or Si for aqueous nitrate reduction. The Al alloys particles of 0.85-0.08 mm were inactivate under ambient conditions and a simple treatment with warm water (45 °C) quickly activated the alloy particles for rapid reduction of nitrate. The Al-Fe alloy particles at a dosage of 5 g/L rapidly reduced 50 mg-N/L nitrate at a reaction rate constant (k) of 3.2 ± 0.1 (mg-N/L) 1.5 /min between pH 5-6 and at 4.0 ± 0.1 (mg-N/L) 1.5 /min between pH 9-11. Dopping Cu in the Al-Fe alloy enhanced the rates of reduction whereas dopping Si reduced the reactivity of the Al-Fe alloy. The Al alloys converted nitrate to 20% nitrogen and 80% ammonium. Al in the alloy particles provided electrons for the reduction and the intermetallic compounds in the alloys were likely to catalyze nitrate reduction to nitrogen. Copyright © 2017 Elsevier Ltd. All rights reserved.

Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lavrentiev, M. Yu., E-mail: Mikhail.Lavrentiev@ukaea.uk; Nguyen-Manh, D.; Dudarev, S. L.

A Magnetic Cluster Expansion model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed, using DFT data spanning binary and ternary alloy configurations. Using this Magnetic Cluster Expansion model Hamiltonian, we perform Monte Carlo simulations and explore magnetic structures of alloys over the entire range of compositions, considering both random and ordered alloy structures. In random alloys, the removal of magnetic collinearity constraint reduces the total magnetic moment but does not affect the predicted range of compositions where the alloys adopt low-temperature ferromagnetic configurations. During alloying of ordered fcc Fe-Ni compounds with Cr, chromium atoms tend to replace nickel rathermore » than iron atoms. Replacement of Ni by Cr in ordered alloys with high iron content increases the Curie temperature of the alloys. This can be explained by strong antiferromagnetic Fe-Cr coupling, similar to that found in bcc Fe-Cr solutions, where the Curie temperature increase, predicted by simulations as a function of Cr concentration, is confirmed by experimental observations. In random alloys, both magnetization and the Curie temperature decrease abruptly with increasing chromium content, in agreement with experiment.« less

Mechanical properties of neutron-irradiated model and commercial FeCrAl alloys

DOE PAGES

Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; ...

2017-03-28

The development and understanding of the mechanical properties of neutron-irradiated FeCrAl alloys is increasingly a critical need as these alloys continue to become more mature for nuclear reactor applications. This study focuses on the mechanical properties of model FeCrAl alloys and of a commercial FeCrAl alloy neutron-irradiated to up to 13.8 displacements per atom (dpa) at irradiation temperatures between 320 and 382 °C. Tensile tests were completed at room temperature and at 320 °C, and a subset of fractured tensile specimens was examined by scanning electron microscopy. Results showed typical radiation hardening and embrittlement indicative of high chromium ferritic alloysmore » with strong chromium composition dependencies at lower doses. At and above 7.0 dpa, the mechanical properties saturated for both the commercial and model FeCrAl alloys, although brittle cleavage fracture was observed at the highest dose in the model FeCrAl alloy with the highest chromium content (18 wt %). Finally, the results suggest the composition and microstructure of FeCrAl alloys plays a critical role in the mechanical response of FeCrAl alloys irradiated near temperatures relevant to light water reactors.« less

Review and Study of Physics Driven Pitting Corrosion Modeling in 2024-T3 Aluminum Alloys (Postprint)

DTIC Science & Technology

2015-05-01

AFRL-RX-WP-JA-2015-0218 REVIEW AND STUDY OF PHYSICS DRIVEN PITTING CORROSION MODELING IN 2024-T3 ALUMINUM ALLOYS (POSTPRINT) Lingyu...2014 – 1 April 2015 4. TITLE AND SUBTITLE REVIEW AND STUDY OF PHYSICS DRIVEN PITTING CORROSION MODELING IN 2024-T3 ALUMINUM ALLOYS (POSTPRINT) 5a...18 Review and Study of Physics Driven Pitting Corrosion Modeling in 2024-T3 Aluminum Alloys Lingyu Yu 1*, Kumar V. Jata2 1Mechanical Engineering

INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Simple formula for the thermal conductivity of a quaternary solid solution

NASA Astrophysics Data System (ADS)

Nakwaski, W.

1988-11-01

An analysis is made of the thermal conductivity of quaternary solid solutions (alloys) allowing for their disordered structure on the basis of a phenomenological analysis proposed by Abeles. This method is applied to a quaternary solid solution In1 - xGaxAsyP1 - y. A simple analytic expression is derived for the thermal conductivity of this material.

Mechanisms of Oxidase and Superoxide Dismutation-like Activities of Gold, Silver, Platinum, and Palladium, and Their Alloys: A General Way to the Activation of Molecular Oxygen.

PubMed

Shen, Xiaomei; Liu, Wenqi; Gao, Xuejiao; Lu, Zhanghui; Wu, Xiaochun; Gao, Xingfa

2015-12-23

Metal and alloy nanomaterials have intriguing oxidase- and superoxide dismutation-like (SOD-like) activities. However, origins of these activities remain to be studied. Using density functional theory (DFT) calculations, we investigate mechanisms of oxidase- and SOD-like properties for metals Au, Ag, Pd and Pt and alloys Au4-xMx (x = 1, 2, 3; M = Ag, Pd, Pt). We find that the simple reaction-dissociation of O2-supported on metal surfaces can profoundly account for the oxidase-like activities of the metals. The activation (Eact) and reaction energies (Er) calculated by DFT can be used to effectively predict the activity. As verification, the calculated activity orders for series of metal and alloy nanomaterials are in excellent agreement with those obtained by experiments. Briefly, the activity is critically dependent on two factors, metal compositions and exposed facets. On the basis of these results, an energy-based model is proposed to account for the activation of molecular oxygen. As for SOD-like activities, the mechanisms mainly consist of protonation of O2(•-) and adsorption and rearrangement of HO2(•) on metal surfaces. Our results provide atomistic-level insights into the oxidase- and SOD-like activities of metals and pave a way to the rational design of mimetic enzymes based on metal nanomaterials. Especially, the O2 dissociative adsorption mechanism will serve as a general way to the activation of molecular oxygen by nanosurfaces and help understand the catalytic role of nanomaterials as pro-oxidants and antioxidants.

Preparation of Si-containing oxide coating and biomimetic apatite induction on magnesium alloy

NASA Astrophysics Data System (ADS)

Yu, Huijun; Dong, Qing; Dou, Jinhe; Pan, Yaokun; Chen, Chuanzhong

2016-12-01

Magnesium and its alloys are recently found important in the field of bone repairing for their ideal mechanical performance and excellent biocompatibility. Micro-arc oxidation (MAO) is a simple, controllable and efficient electrochemistry method that can prepare protective ceramic coatings on magnesium alloys. The properties of the MAO coating, such as thickness, microstructure, roughness and composition, can easily be controlled by adjusting the voltage, current density, duration or the electrolyte concentration. In this work, MAO coatings are prepared on ZK61 magnesium alloy at different voltages. The structure characteristics and element distributions of the coating are investigated by XRD, TEM, SEM and EPMA. The MAO samples are immersed in SBF for 7, 14 and 28 days respectively. The corrosion behaviors of the samples in SBF were also investigated by potentiodynamic polarization curves. The corrosion products were characterized by EDS and FT-IR. The MAO coated ZK61 alloy samples showed excellent corrosion resistance and bioactivity. The MAO method demonstrates a great potential in the preparation of degradable and bioactive orthopedic magnesium-based implants.

Evaluation of cyclic flexural fatigue of M-wire nickel-titanium rotary instruments.

PubMed

Al-Hadlaq, Solaiman M S; Aljarbou, Fahad A; AlThumairy, Riyadh I

2010-02-01

This study was conducted to investigate cyclic flexural fatigue resistance of GT series X rotary files made from the newly developed M-wire nickel-titanium alloy compared with GT and Profile nickel-titanium files made from a conventional nickel-titanium alloy. Fifteen files, size 30/0.04, of each type were used to evaluate the cyclic flexural fatigue resistance. A simple device was specifically constructed to measure the time each file type required to fail under cyclic flexural fatigue testing. The results of this experiment indicated that the GT series X files had superior cyclic flexural fatigue resistance than the other 2 file types made from a conventional nickel-titanium alloy (P = .004). On the other hand, the difference between the Profile and the GT files was not statistically significant. The findings of this study suggest that size 30/0.04 nickel-titanium rotary files made from the newly developed M-wire alloy have better cyclic flexural fatigue resistance than files of similar design and size made from the conventional nickel-titanium alloy. Copyright 2010 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Synergistic effect of alloying elements doping and external pressure on the elastic property of Ni{sub 3}Al: A first-principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, C., E-mail: lichun@nwpu.edu.cn; Shang, J.; Yue, Z.

2015-07-15

In this paper, the basic electronic structures and elastic properties of Ni{sub 3}Al doping with alloying elements (Re, Cr, and Mo) under different pressures have been investigated using first-principles calculations based on density functional theory. It is shown that both alloying elements and external applied pressure contribute positively to the elastic properties of Ni{sub 3}Al, and the configurations of the compounds remain almost unchanged. The calculated elastic constants and moduli increase linearly with the pressure increasing from 0 and 40 GPa. Among the alloying elements studied in the present work, Re exhibits the most significant effect compared with the othermore » elements, showing its practical importance. Especially, if both alloying elements doping and pressure effects are considered simultaneously, which has not been considered previously, the studied compounds exhibit an even better elastic property than the simple superposition of the two influences. Such synergistic effect demonstrates promising applications of Ni-based single crystal superalloys in possible extreme mechanical environments.« less

NASA-UVA Light Aerospace Alloy and Structures Technology program (LA2ST)

NASA Technical Reports Server (NTRS)

Starke, Edgar A., Jr.; Gangloff, Richard P.; Herakovich, Carl T.; Scully, John R.; Shiflet, Gary J.; Stoner, Glenn E.; Wert, John A.

1995-01-01

The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites, and thermal gradient structures in collaboration with NASA-Langley researchers. The general aim is to produce relevant data and basic understanding of material mechanical response, environment/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated students for aerospace technologies. Specific technical objectives are presented for each of the following research projects: time-temperature dependent fracture in advanced wrought ingot metallurgy, and spray deposited aluminum alloys; cryogenic temperature effects on the deformation and fracture of Al-Li-Cu-In alloys; effects of aging and temperature on the ductile fracture of AA2095 and AA2195; mechanisms of localized corrosion in alloys 2090 and 2095; hydrogen interactions in aluminum-lithium alloys 2090 and selected model alloys; mechanisms of deformation and fracture in high strength titanium alloys (effects of temperature and hydrogen and effects of temperature and microstructure); evaluations of wide-panel aluminum alloy extrusions; Al-Si-Ge alloy development; effects of texture and precipitates on mechanical property anisotropy of Al-Cu-Mg-X alloys; damage evolution in polymeric composites; and environmental effects in fatigue life prediction - modeling crack propagation in light aerospace alloys.

Thermophysical properties of simple liquid metals: A brief review of theory

NASA Technical Reports Server (NTRS)

Stroud, David

1993-01-01

In this paper, we review the current theory of the thermophysical properties of simple liquid metals. The emphasis is on thermodynamic properties, but we also briefly discuss the nonequilibrium properties of liquid metals. We begin by defining a 'simple liquid metal' as one in which the valence electrons interact only weakly with the ionic cores, so that the interaction can be treated by perturbation theory. We then write down the equilibrium Hamiltonian of a liquid metal as a sum of five terms: the bare ion-ion interaction, the electron-electron interaction, the bare electron-ion interaction, and the kinetic energies of electrons and ions. Since the electron-ion interaction can be treated by perturbation, the electronic part contributes in two ways to the Helmholtz free energy: it gives a density-dependent term which is independent of the arrangement of ions, and it acts to screen the ion-ion interaction, giving rise to effective ion-ion pair potentials which are density-dependent, in general. After sketching the form of a typical pair potential, we briefly enumerate some methods for calculating the ionic distribution function and hence the Helmholtz free energy of the liquid: monte Carlo simulations, molecular dynamics simulations, and thermodynamic perturbation theory. The final result is a general expression for the Helmholtz free energy of the liquid metal. It can be used to calculate a wide range of thermodynamic properties of simple metal liquids, which we enumerate. They include not only a range of thermodynamic coefficients of both metals and alloys, but also many aspects of the phase diagram, including freezing curves of pure elements and phase diagrams of liquid alloys (including liquidus and solidus curves). We briefly mention some key discoveries resulting from previous applications of this method, and point out that the same methods work for other materials not normally considered to be liquid metals (such as colloidal suspensions, in which the suspended microspheres behave like ions screened by the salt solution in which they are suspended). We conclude with a brief discussion of some non-equilibrium (i.e., transport) properties which can be treated by an extension of these methods. These include electrical resistivity, thermal conductivity, viscosity, atomic self-diffusion coefficients, concentration diffusion coefficients in alloys, surface tension and thermal emissivity. Finally, we briefly mention two methods by which the theory might be extended to non-simple liquid metals: these are empirical techniques (i.e., empirical two- and three-body potentials), and numerical many-body approaches. Both may be potentially applicable to extremely complex systems, such as nonstoichiometric liquid semiconductor alloys.

Monte Carlo Criticality Analysis of Simple Geometrics COntaining Tungsten Rhenium Alloys Engrained with Uranium Dioxide and Uranium Mononitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jonathan A. Webb; Indrajit Charit

2011-08-01

The critical mass and dimensions of simple geometries containing highly enriched uraniumdioxide (UO2) and uraniummononitride (UN) encapsulated in tungsten-rhenium alloys are determined using MCNP5 criticality calculations. Spheres as well as cylinders with length to radius ratios of 1.82 are computationally built to consist of 60 vol.% fuel and 40 vol.% metal matrix. Within the geometries the uranium is enriched to 93 wt.% uranium-235 and the rhenium content within the metal alloy was modeled over a range of 0 to 30 at.%. The spheres containing UO2 were determined to have a critical radius of 18.29 cm to 19.11 cm and amore » critical mass ranging from 366 kg to 424 kg. The cylinders containing UO2 were found to have a critical radius ranging from 17.07 cm to 17.844 cm with a corresponding critical mass of 406 kg to 471 kg. Spheres engrained with UN were determined to have a critical radius ranging from 14.82 cm to 15.19 cm and a critical mass between 222 kg and 242 kg. Cylinders which were engrained with UN were determined to have a critical radius ranging from 13.811 cm to 14.155 cm with a corresponding critical mass of 245 kg to 267 kg. The critical geometries were also computationally submerged in a neutronaically infinite medium of fresh water to determine the effects of rhenium addition on criticality accidents due to water submersion. The monte carlo analysis demonstrated that rhenium addition of up to 30 at.% can reduce the excess reactivity due to water submersion by up to $5.07 for UO2 fueled cylinders, $3.87 for UO2 fueled spheres and approximately $3.00 for UN fueled spheres and cylinders.« less

A Fatigue Model for Discontinuous Particulate-Reinforced Aluminum Alloy Composite: Influence of Microstructure

NASA Astrophysics Data System (ADS)

McCullough, R. R.; Jordon, J. B.; Brammer, A. T.; Manigandan, K.; Srivatsan, T. S.; Allison, P. G.; Rushing, T. W.

2014-01-01

In this paper, the use of a microstructure-sensitive fatigue model is put forth for the analysis of discontinuously reinforced aluminum alloy metal matrix composite. The fatigue model was used for a ceramic particle-reinforced aluminum alloy deformed under conditions of fully reversed strain control. Experimental results revealed the aluminum alloy to be strongly influenced by volume fraction of the particulate reinforcement phase under conditions of strain-controlled fatigue. The model safely characterizes the evolution of fatigue damage in this aluminum alloy composite into the distinct stages of crack initiation and crack growth culminating in failure. The model is able to capture the specific influence of particle volume fraction, particle size, and nearest neighbor distance in quantifying fatigue life. The model yields good results for correlation of the predicted results with the experimental test results on the fatigue behavior of the chosen aluminum alloy for two different percentages of the ceramic particle reinforcement. Further, the model illustrates that both particle size and volume fraction are key factors that govern fatigue lifetime. This conclusion is well supported by fractographic observations of the cyclically deformed and failed specimens.

Vertical solidification of dendritic binary alloys

NASA Technical Reports Server (NTRS)

Heinrich, J. C.; Felicelli, S.; Poirier, D. R.

1991-01-01

Three numerical techniques are employed to analyze the influence of thermosolutal convection on defect formation in directionally solidified (DS) alloys. The finite-element models are based on the Boussinesq approximation and include the plane-front model and two plane-front models incorporating special dendritic regions. In the second model the dendritic region has a time-independent volume fraction of liquid, and in the last model the dendritic region evolves as local conditions dictate. The finite-element models permit the description of nonlinear thermosolutal convection by treating the dendritic regions as porous media with variable porosities. The models are applied to lead-tin alloys including DS alloys, and severe segregation phenomena such as freckles and channels are found to develop in the DS alloys. The present calculations and the permeability functions selected are shown to predict behavior in the dendritic regions that qualitatively matches that observed experimentally.

Binary Colloidal Alloy Test-5: Phase Separation

NASA Technical Reports Server (NTRS)

Lynch, Matthew; Weitz, David A.; Lu, Peter J.

2008-01-01

The Binary Colloidal Alloy Test - 5: Phase Separation (BCAT-5-PhaseSep) experiment will photograph initially randomized colloidal samples onboard the ISS to determine their resulting structure over time. This allows the scientists to capture the kinetics (evolution) of their samples, as well as the final equilibrium state of each sample. BCAT-5-PhaseSep studies collapse (phase separation rates that impact product shelf-life); in microgravity the physics of collapse is not masked by being reduced to a simple top and bottom phase as it is on Earth.

Novel shape memory alloy optical fibre connection method

NASA Astrophysics Data System (ADS)

Trouillard, G.; Zivojinovic, P.; Cerutti, R.; Godmaire, X. Pruneau; Weynant, E.

2010-02-01

In this paper, the capacity and quality of a shape memory alloy device is demonstrated for installation and connection of 125-μm to 1000-μm optical fibres. The new mechanical splice has the particularity of using a very simple tool for aligning and holding the cladding of fibres itself without the need of glue. Optimend main characteristics are its small dimensions (few millimetres), reusability, glueless, ruggedness, low temperature variation, heat dissipation and ease of use. These properties are very suitable for many optical fibre applications where both quick and reliable connections are desirable.

A defect density-based constitutive crystal plasticity framework for modeling the plastic deformation of Fe-Cr-Al cladding alloys subsequent to irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patra, Anirban; Wen, Wei; Martinez Saez, Enrique

2016-02-05

It is essential to understand the deformation behavior of these Fe-Cr-Al alloys, in order to be able to develop models for predicting their mechanical response under varied loading conditions. Interaction of dislocations with the radiation-induced defects governs the crystallographic deformation mechanisms. A crystal plasticity framework is employed to model these mechanisms in Fe-Cr-Al alloys. This work builds on a previously developed defect density-based crystal plasticity model for bcc metals and alloys, with necessary modifications made to account for the defect substructure observed in Fe-Cr-Al alloys. The model is implemented in a Visco-Plastic Self Consistent (VPSC) framework, to predict the mechanicalmore » behavior under quasi-static loading.« less

Thermal activation mechanisms and Labusch-type strengthening analysis for a family of high-entropy and equiatomic solid-solution alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Zhenggang; Gao, Yanfei; Bei, Hongbin

To understand the underlying strengthening mechanisms, thermal activation processes are investigated from stress-strain measurements with varying temperatures and strain rates for a family of equiatomic quinary, quaternary, ternary, and binary, face-center-cubic-structured, single phase solid-solution alloys, which are all subsystems of the FeNiCoCrMn high-entropy alloy. Our analysis suggests that the Labusch-type solution strengthening mechanism, rather than the lattice friction (or lattice resistance), governs the deformation behavior in equiatomic alloys. First, upon excluding the Hall-Petch effects, the activation volumes for these alloys are found to range from 10 to 1000 times the cubic power of Burgers vector, which are much larger thanmore » that required for kink pairs (i.e., the thermal activation process for the lattice resistance mechanism in body-center-cubic-structured metals). Second, the Labusch-type analysis for an N-element alloy is conducted by treating M-elements (M < N) as an effective medium and summing the strengthening contributions from the rest of N-M elements as individual solute species. For all equiatomic alloys investigated, a qualitative agreement exists between the measured strengthening effect and the Labusch strengthening factor from arbitrary M to N elements based on the lattice and modulus mismatches. Furthermore, the Labusch strengthening factor provides a practical critique to understand and design such compositionally complex but structurally simple alloys.« less

Thermal activation mechanisms and Labusch-type strengthening analysis for a family of high-entropy and equiatomic solid-solution alloys

DOE PAGES

Wu, Zhenggang; Gao, Yanfei; Bei, Hongbin

2016-11-01

To understand the underlying strengthening mechanisms, thermal activation processes are investigated from stress-strain measurements with varying temperatures and strain rates for a family of equiatomic quinary, quaternary, ternary, and binary, face-center-cubic-structured, single phase solid-solution alloys, which are all subsystems of the FeNiCoCrMn high-entropy alloy. Our analysis suggests that the Labusch-type solution strengthening mechanism, rather than the lattice friction (or lattice resistance), governs the deformation behavior in equiatomic alloys. First, upon excluding the Hall-Petch effects, the activation volumes for these alloys are found to range from 10 to 1000 times the cubic power of Burgers vector, which are much larger thanmore » that required for kink pairs (i.e., the thermal activation process for the lattice resistance mechanism in body-center-cubic-structured metals). Second, the Labusch-type analysis for an N-element alloy is conducted by treating M-elements (M < N) as an effective medium and summing the strengthening contributions from the rest of N-M elements as individual solute species. For all equiatomic alloys investigated, a qualitative agreement exists between the measured strengthening effect and the Labusch strengthening factor from arbitrary M to N elements based on the lattice and modulus mismatches. Furthermore, the Labusch strengthening factor provides a practical critique to understand and design such compositionally complex but structurally simple alloys.« less

Enhancement of magnetocaloric effect in the Gd 2Al phase by Co alloying

DOE PAGES

Huang, Z. Y.; Fu, H.; Hadimani, R. L.; ...

2014-11-14

We observe that Cu clusters grow on surface terraces of graphite as a result of physical vapor deposition in ultrahigh vacuum. We show that the observation is incompatible with a variety of models incorporating homogeneous nucleation and high level calculations of atomic-scale energetics. An alternative explanation, ion-mediated heterogeneous nucleation, is proposed and validated, both with theory and experiment. This serves as a case study in identifying when and whether the simple, common observation of metal clusters on carbon-rich surfaces can be interpreted in terms of homogeneous nucleation. We describe a general approach for making system-specific and laboratory-specific predictions.

Geometrical model for martensitic phase transitions: Understanding criticality and weak universality during microstructure growth.

PubMed

Torrents, Genís; Illa, Xavier; Vives, Eduard; Planes, Antoni

2017-01-01

A simple model for the growth of elongated domains (needle-like) during a martensitic phase transition is presented. The model is purely geometric and the only interactions are due to the sequentiality of the kinetic problem and to the excluded volume, since domains cannot retransform back to the original phase. Despite this very simple interaction, numerical simulations show that the final observed microstructure can be described as being a consequence of dipolar-like interactions. The model is analytically solved in 2D for the case in which two symmetry related domains can grow in the horizontal and vertical directions. It is remarkable that the solution is analytic both for a finite system of size L×L and in the thermodynamic limit L→∞, where the elongated domains become lines. Results prove the existence of criticality, i.e., that the domain sizes observed in the final microstructure show a power-law distribution characterized by a critical exponent. The exponent, nevertheless, depends on the relative probabilities of the different equivalent variants. The results provide a plausible explanation of the weak universality of the critical exponents measured during martensitic transformations in metallic alloys. Experimental exponents show a monotonous dependence with the number of equivalent variants that grow during the transition.

Manufacturing Processes for Long-Life Gas Turbines

NASA Astrophysics Data System (ADS)

Hoppin, G. S.; Danesi, W. P.

1986-07-01

Dual-alloy turbine wheels produced by solid-state diffusion bonding of vacuum investment cast blade rings of one superalloy to preconsolidated powder metal hubs of a second superalloy have the long cyclic lives characteristic of wrought or powder superalloys combined with the high creep strength and net-shape blades characteristic of cast superalloys. A wide variety of superalloys and turbine configurations are compatible with this technology. Improved temperature capability turbine blades and vanes of the MAR-M 247 alloy made by directional solidification casting processes are now in volume production for Garrett gas turbines. Single-crystal alloys derivative to MAR-M 247 further extend the temperature capability of turbine blades and have been successfully engine tested. These blades are produced by a relatively simple modification of the processes used to manufacture directionally solidified blades.

An in vivo model to assess magnesium alloys and their biological effect on human bone marrow stromal cells.

PubMed

Yoshizawa, Sayuri; Chaya, Amy; Verdelis, Kostas; Bilodeau, Elizabeth A; Sfeir, Charles

2015-12-01

Magnesium (Mg) alloys have many unique qualities which make them ideal candidates for bone fixation devices, including biocompatibility and degradation in vivo. Despite a rise in Mg alloy production and research, there remains no standardized system to assess their degradation or biological effect on human stem cells in vivo. In this study, we developed a novel in vivo model to assess Mg alloys for craniofacial and orthopedic applications. Our model consists of a collagen sponge seeded with human bone marrow stromal cells (hBMSCs) around a central Mg alloy rod. These scaffolds were implanted subcutaneously in mice and analyzed after eight weeks. Alloy degradation and biological effect were determined by microcomputed tomography (microCT), histological staining, and immunohistochemistry (IHC). MicroCT showed greater volume loss for pure Mg compared to AZ31 after eight weeks in vivo. Histological analysis showed that hBMSCs were retained around the Mg implants after 8 weeks. Furthermore, immunohistochemistry showed the expression of dentin matrix protein 1 and osteopontin around both pure Mg and AZ31 with implanted hBMSCs. In addition, histological sections showed a thin mineral layer around all degrading alloys at the alloy-tissue interface. In conclusion, our data show that degrading pure Mg and AZ31 implants are cytocompatible and do not inhibit the osteogenic property of hBMSCs in vivo. These results demonstrate that this model can be used to efficiently assess the biological effect of corroding Mg alloys in vivo. Importantly, this model may be modified to accommodate additional cell types and clinical applications. Magnesium (Mg) alloys have been investigated as ideal candidates for bone fixation devices due to high biocompatibility and degradation in vivo, and there is a growing need of establishing an efficient in vivo material screening system. In this study, we assessed degradation rate and biological effect of Mg alloys by transplanting Mg alloy rod with human bone marrow stromal cells seeded on collagen sponge subcutaneously in mice. After 8 weeks, samples were analyzed by microcomputed tomography and histological staining. Our data show that degrading Mg alloys are cytocompatible and do not inhibit the osteogenic property of hBMSCs in vivo. These results demonstrate that this model can be used to efficiently assess the biological effect of corroding Mg alloys in vivo. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Criteria for Yielding of Dispersion-Strengthened Alloys

NASA Technical Reports Server (NTRS)

Ansell, G. S.; Lenel, F. V.

1960-01-01

A dislocation model is presented in order to account for the yield behavior of alloys with a finely dispersed second-phase. The criteria for yielding used in the model, is that appreciable yielding occurs in these alloys when the shear stress due to piled-up groups of dislocations is sufficient to fracture or plastically deform the dispersed second-phase particles, relieving the back stress on the dislocation sources. Equations derived on the basis of this model, predict that the yield stress of the alloys varies as the reciprocal square root of the mean free path between dispersed particles. Experimental data is presented for several SAP-Type alloys, precipitation-hardened alloys and steels which are in good agreement with the yield strength variation as a function of dispersion spacing predicted by this theoretical treatment.

Lightweight design and analysis of automobile wheel based on bending and radial loads

NASA Astrophysics Data System (ADS)

Jiang, X.; Lyu, R.; Fukushima, Y.; Otake, M.; Ju, D. Y.

2018-06-01

Lightweighting of automobile vehicle is a significant application trends, using magnesium alloy wheels is a valuable way. This article discusses design of a new model of automobile wheel. Then bending test and radial test finite element model were established. Considering three different materials namely magnesium alloy, aluminium alloy and steel, the stress and strain performances of each material can be obtained. Through evaluating and analyzing model in bending test and radial test, we obtained the reasonable and superior results for magnesium alloy wheel. The results of the equivalent stress and deformation were compared, the magnesium alloy wheel practicality has been confirmed. This research predicts the reliability of the structural design, some valuable references are provided for the design and development of magnesium alloy wheel.

Modeling and characterization of as-welded microstructure of solid solution strengthened Ni-Cr-Fe alloys resistant to ductility-dip cracking part I: Numerical modeling

NASA Astrophysics Data System (ADS)

Unfried-Silgado, Jimy; Ramirez, Antonio J.

2014-03-01

This work aims the numerical modeling and characterization of as-welded microstructure of Ni-Cr-Fe alloys with additions of Nb, Mo and Hf as a key to understand their proven resistance to ductility-dip cracking. Part I deals with as-welded structure modeling, using experimental alloying ranges and Calphad methodology. Model calculates kinetic phase transformations and partitioning of elements during weld solidification using a cooling rate of 100 K.s-1, considering their consequences on solidification mode for each alloy. Calculated structures were compared with experimental observations on as-welded structures, exhibiting good agreement. Numerical calculations estimate an increase by three times of mass fraction of primary carbides precipitation, a substantial reduction of mass fraction of M23C6 precipitates and topologically closed packed phases (TCP), a homogeneously intradendritic distribution, and a slight increase of interdendritic Molybdenum distribution in these alloys. Incidences of metallurgical characteristics of modeled as-welded structures on desirable characteristics of Ni-based alloys resistant to DDC are discussed here.

Model many-body Stoner Hamiltonian for binary FeCr alloys

NASA Astrophysics Data System (ADS)

Nguyen-Manh, D.; Dudarev, S. L.

2009-09-01

We derive a model tight-binding many-body d -electron Stoner Hamiltonian for FeCr binary alloys and investigate the sensitivity of its mean-field solutions to the choice of hopping integrals and the Stoner exchange parameters. By applying the local charge-neutrality condition within a self-consistent treatment we show that the negative enthalpy-of-mixing anomaly characterizing the alloy in the low chromium concentration limit is due entirely to the presence of the on-site exchange Stoner terms and that the occurrence of this anomaly is not specifically related to the choice of hopping integrals describing conventional chemical bonding between atoms in the alloy. The Bain transformation pathway computed, using the proposed model Hamiltonian, for the Fe15Cr alloy configuration is in excellent agreement with ab initio total-energy calculations. Our investigation also shows how the parameters of a tight-binding many-body model Hamiltonian for a magnetic alloy can be derived from the comparison of its mean-field solutions with other, more accurate, mean-field approximations (e.g., density-functional calculations), hence stimulating the development of large-scale computational algorithms for modeling radiation damage effects in magnetic alloys and steels.

Osteogenic potential of a novel microarc oxidized coating formed on Ti6Al4V alloys

NASA Astrophysics Data System (ADS)

Wang, Yaping; Lou, Jin; Zeng, Lilan; Xiang, Junhuai; Zhang, Shufang; Wang, Jun; Xiong, Fucheng; Li, Chenglin; Zhao, Ying; Zhang, Rongfa

2017-08-01

In order to improve the biocompatibility, Ti6Al4V alloys are processed by micro arc oxidation (MAO) in a novel electrolyte of phytic acid, a natural organic phosphorus-containing matter. The MAO coatings were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), Fourier Transform Infrared (FT-IR) and X-ray photoelectron spectroscopy (XPS). The cytocompatibility of Ti6A14V alloys before and after MAO were comprehensively evaluated. The results showed that the fabricated MAO coatings were composed of rutile, anatase, TiP2O7 as well as some OH- groups, exhibiting the excellent hydrophilicity and a porous structure with small micro pores. No cytotoxicity towards MC3T3-E1cells was observed in this study. In particular, MAO treated Ti6Al4V alloys presented comparable cell adhesion and proliferation as well as significantly enhanced alkaline phosphatase activity, extracellular matrix (ECM) mineralization and collagen secretion in comparison with the untreated control. The results suggest that the Ti6Al4V alloys treated by MAO in phytic acid can be used as implants for orthopaedic applications, providing a simple and practical method to widen clinical acceptance of titanium alloys.

Cooperative effect of silicon and other alloying elements on creep resistance of titanium alloys: insight from first-principles calculations

PubMed Central

Li, Yang; Chen, Yue; Liu, Jian-Rong; Hu, Qing-Miao; Yang, Rui

2016-01-01

Creep resistance is one of the key properties of titanium (Ti) alloys for high temperature applications such as in aero engines and gas turbines. It has been widely recognized that moderate addition of Si, especially when added together with some other elements (X), e.g., Mo, significantly improves the creep resistance of Ti alloys. To provide some fundamental understandings on such a cooperative effect, the interactions between Si and X in both hexagonal close-packed α and body-centered cubic β phases are systematically investigated by using a first-principles method. We show that the transition metal (TM) atoms with the number of d electrons (Nd) from 3 to 7 are attractive to Si in α phase whereas those with Nd > 8 and simple metal (SM) alloying atoms are repulsive to Si. All the alloying atoms repel Si in the β phase except for the ones with fewer d electrons than Ti. The electronic structure origin underlying the Si-X interaction is discussed based on the calculated electronic density of states and Bader charge. Our calculations suggest that the beneficial X-Si cooperative effect on the creep resistance is attributable to the strong X-Si attraction. PMID:27466045

Effect of Heat Treatment on Borides Precipitation and Mechanical Properties of CoCrFeNiAl1.8Cu0.7B0.3Si0.1 High-Entropy Alloy Prepared by Arc-Melting and Laser-Cladding

NASA Astrophysics Data System (ADS)

Zhang, H.; Tang, H.; He, Y. Z.; Zhang, J. L.; Li, W. H.; Guo, S.

2017-11-01

Effects of heat treatment on borides precipitation and mechanical properties of arc-melted and laser-cladded CoCrNiFeAl1.8Cu0.7B0.3Si0.1 high-entropy alloys were comparatively studied. The arc-melted alloy contains lots of long strip borides distributed in the body-centered cubic phase, with a hardness about 643 HV0.5. Laser-cladding can effectively inhibit the boride precipitation and the laser-cladded alloy is mainly composed of a simple bcc solid solution, with a high hardness about 769 HV0.5, indicating the strengthening effect by interstitial boron atoms is greater than the strengthening by borides precipitation. Heat treatments between 800°C and 1200°C can simultaneously improve the hardness and fracture toughness of arc-melted alloys, owing to the boride spheroidization, dissolution, re-precipitation, and hence the increased boron solubility and nano-precipitation in the bcc solid solution. By contrast, the hardness of laser-cladded alloys reduce after heat treatments in the same temperature range, due to the decreased boron solubility in the matrix.

In vivo degradation effects of alloy MgNd2 in contact with mucous tissue.

PubMed

Seitz, J-M; Eifler, R; Weber, C; Lenarz, T H; Maier, H J; Durisin, M

2015-07-01

Magnesium alloys are currently being investigated for use as resorbable biomaterials. Various applications for magnesium based implant materials have already been presented. Currently, stents and structures that sustain diseased or narrowed vessels seem to be the most promising areas. This study focuses on the use of a magnesium fluoride (MgF2 ) coated magnesium neodymium based alloy (MgNd2 ) and its use as a postsurgery stent material to avoid proliferation in the sinus region. Simple cylindrical shaped specimens were sown to the sinus' mucosa of pigs and left in place for different periods of time to investigate the long-term corrosion resistance of the alloy and its coating during direct contact with physiological tissue. Investigations made within this study explicitly focused on the corrosive behavior of the alloy in the region of a physiological sinus. Thus, losses in mass and volume, and element analyses were considered to obtain information about the specimens' corrosion performance over time. Furthermore, micrographs support the alloy specific corrosion type analyses which focus on grain boundary effects. This study demonstrates the general in vivo applicability of fluoride coated MgNd2 . The progress of corrosion was determined to be adequate and homogeneous over a total period of 180 days. © 2014 Wiley Periodicals, Inc.

Precipitation Modeling in Nitriding in Fe-M Binary System

NASA Astrophysics Data System (ADS)

Tomio, Yusaku; Miyamoto, Goro; Furuhara, Tadashi

2016-10-01

Precipitation of fine alloy nitrides near the specimen surface results in significant surface hardening in nitriding of alloyed steels. In this study, a simulation model of alloy nitride precipitation during nitriding is developed for Fe-M binary system based upon the Kampmann-Wagner numerical model in order to predict variations in the distribution of precipitates with depth. The model can predict the number density, average radius, and volume fraction of alloy nitrides as a function of depth from the surface and nitriding time. By a comparison with the experimental observation in a nitrided Fe-Cr alloy, it was found that the model can predict successfully the observed particle distribution from the surface into depth when appropriate solubility of CrN, interfacial energy between CrN and α, and nitrogen flux at the surface are selected.

Dissolution Kinetics of Spheroidal-Shaped Precipitates in Age-Hardenable Aluminum Alloys

NASA Astrophysics Data System (ADS)

Anjabin, Nozar; Salehi, Majid Seyed

2018-05-01

As a first attempt, a mathematical model is proposed to predict the dissolution kinetics of non-spherical secondary phase precipitates during solution heat treatment of age-hardenable aluminum alloys. The model uses general spheroidal geometry to describe the dissolution process of the alloys containing needle/disc-shaped particles with different size distributions in a finite matrix. It is found that as the aspect ratio deviates from unity, the dissolution rate is accelerated. Also, the dissolution rate of the particles in the alloy containing the particle size distribution is lower than that of mono-sized particles system. The modeling results for dissolution of θ' precipitates in an Al-Cu alloy are compared with experiments, and a good agreement was found between the modeling and the experimental results. The proposed model can be applied to different isothermal and non-isothermal annealing conditions.

Surface tension modelling of liquid Cd-Sn-Zn alloys

NASA Astrophysics Data System (ADS)

Fima, Przemyslaw; Novakovic, Rada

2018-06-01

The thermodynamic model in conjunction with Butler equation and the geometric models were used for the surface tension calculation of Cd-Sn-Zn liquid alloys. Good agreement was found between the experimental data for limiting binaries and model calculations performed with Butler model. In the case of ternary alloys, the surface tension variation with Cd content is better reproduced in the case of alloys lying on vertical sections defined by high Sn to Zn molar fraction ratio. The calculated surface tension is in relatively good agreement with the available experimental data. In addition, the surface segregation of liquid ternary Cd-Sn-Zn and constituent binaries has also been calculated.

Interfacial free energy controlling glass-forming ability of Cu-Zr alloys.

PubMed

Kang, Dong-Hee; Zhang, Hao; Yoo, Hanbyeol; Lee, Hyun Hwi; Lee, Sooheyong; Lee, Geun Woo; Lou, Hongbo; Wang, Xiaodong; Cao, Qingping; Zhang, Dongxian; Jiang, Jianzhong

2014-06-04

Glass is a freezing phase of a deeply supercooled liquid. Despite its simple definition, the origin of glass forming ability (GFA) is still ambiguous, even for binary Cu-Zr alloys. Here, we directly study the stability of the supercooled Cu-Zr liquids where we find that Cu64Zr36 at a supercooled temperature shows deeper undercoolability and longer persistence than other neighbouring compositions with an equivalent driving Gibbs free energy. This observation implies that the GFA of the Cu-Zr alloys is significantly affected by crystal-liquid interfacial free energy. In particular, the crystal-liquid interfacial free energy of Cu64Zr36 in our measurement was higher than that of other neighbouring liquids and, coincidently a molecular dynamics simulation reveals a larger glass-glass interfacial energy value at this composition, which reflects more distinct configuration difference between liquid and crystal phase. The present results demonstrate that the higher crystal-liquid interfacial free energy is a prerequisite of good GFA of the Cu-Zr alloys.

Analysis of the Defect Structure of B2 Feal Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ferrante, John; Noebe, Ronald D.; Amador, Carlos

1995-01-01

The Bozzolo, Ferrante and Smith (BFS) method for alloys is applied to the study of the defect structure of B2 FeAI alloys. First-principles Linear Muffin Tin Orbital calculations are used to determine the input parameters to the BFS method used in this work. The calculations successfully determine the phase field of the B2 structure, as well as the dependence with composition of the lattice parameter. Finally, the method is used to perform 'static' simulations where instead of determining the ground state configuration of the alloy with a certain concentration of vacancies, a large number of candidate ordered structures are studied and compared, in order to determine not only the lowest energy configurations but other possible metastable states as well. The results provide a description of the defect structure consistent with available experimental data. The simplicity of the BFS method also allows for a simple explanation of some of the essential features found in the concentration dependence of the heat of formation, lattice parameter and the defect structure.

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties

PubMed Central

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-01-01

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors. PMID:26456769

Effect of Phosphate-Buffered Solution Corrosion on the Ratcheting Fatigue Behavior of a Duplex Mg-Li-Al Alloy

NASA Astrophysics Data System (ADS)

Yuan, Xin; Yu, Dunji; Gao, Li-Lan; Gao, Hong

2016-05-01

This work reports the uniaxial ratcheting and fatigue behavior of a duplex Mg-Li-Al alloy under the influence of phosphate-buffered solution corrosion. Microstructural observations reveal pitting and filament corrosion defects, which impair the load-bearing capacity of the alloy and cause stress concentration, thus leading to an accelerated accumulation of ratcheting strain and shortened fatigue life under the same nominal loading conditions. Comparing Smith model, Smith-Watson-Topper model, and Paul-Sivaprasad-Dhar model, a ratcheting fatigue life prediction model based on the Broberg damage rule and the Paul-Sivaprasad-Dhar model was proposed, and the model yielded a superior prediction for the studied magnesium alloy.

A Review on High-Speed Machining of Titanium Alloys

NASA Astrophysics Data System (ADS)

Rahman, Mustafizur; Wang, Zhi-Gang; Wong, Yoke-San

Titanium alloys have been widely used in the aerospace, biomedical and automotive industries because of their good strength-to-weight ratio and superior corrosion resistance. However, it is very difficult to machine them due to their poor machinability. When machining titanium alloys with conventional tools, the tool wear rate progresses rapidly, and it is generally difficult to achieve a cutting speed of over 60m/min. Other types of tool materials, including ceramic, diamond, and cubic boron nitride (CBN), are highly reactive with titanium alloys at higher temperature. However, binder-less CBN (BCBN) tools, which do not have any binder, sintering agent or catalyst, have a remarkably longer tool life than conventional CBN inserts even at high cutting speeds. In order to get deeper understanding of high speed machining (HSM) of titanium alloys, the generation of mathematical models is essential. The models are also needed to predict the machining parameters for HSM. This paper aims to give an overview of recent developments in machining and HSM of titanium alloys, geometrical modeling of HSM, and cutting force models for HSM of titanium alloys.

Transient liquid phase bonding of titanium-, iron- and nickel-based alloys

NASA Astrophysics Data System (ADS)

Rahman, A. H. M. Esfakur

The operating temperature of land-based gas turbines and jet engines are ever-increasing to increase the efficiency, decrease the emissions and minimize the cost. Within the engines, complex-shaped parts experience extreme temperature, fatigue and corrosion conditions. Ti-based, Ni-based and Fe-based alloys are commonly used in gas turbines and jet engines depending on the temperatures of different sections. Although those alloys have superior mechanical, high temperature and corrosion properties, severe operating conditions cause fast degradation and failure of the components. Repair of these components could reduce lifecycle costs. Unfortunately, conventional fusion welding is not very attractive, because Ti reacts very easily with oxygen and nitrogen at high temperatures, Ni-based superalloys show heat affected zone (HAZ) cracking, and stainless steels show intergranular corrosion and knife-line attack. On the other hand, transient liquid phase (TLP) bonding method has been considered as preferred joining method for those types of alloys. During the initial phase of the current work commercially pure Ti, Fe and Ni were diffusion bonded using commercially available interlayer materials. Commercially pure Ti (Ti-grade 2) has been diffusion bonded using silver and copper interlayers and without any interlayer. With a silver (Ag) interlayer, different intermetallics (AgTi, AgTi2) appeared in the joint centerline microstructure. While with a Cu interlayer eutectic mixtures and Ti-Cu solid solutions appeared in the joint centerline. The maximum tensile strengths achieved were 160 MPa, 502 MPa, and 382 MPa when Ag, Cu and no interlayers were used, respectively. Commercially pure Fe (cp-Fe) was diffusion bonded using Cu (25 m) and Au-12Ge eutectic interlayer (100 microm). Cu diffused predominantly along austenite grain boundaries in all bonding conditions. Residual interlayers appeared at lower bonding temperature and time, however, voids were observed in the joint centerline at higher joining temperature and time. Dispersed Au-rich particles were observed in the base metal near interface. The highest ultimate tensile strengths obtained for the bonded Fe were 291+/-2 MPa using a Cu interlayer at 1030°C for 10 h and 315+/-4 MPa using a Au-12Ge interlayer at 950°C for 15 h. Commercially pure Ni (cp-Ni) was diffusion bonded using a Al, Au-12Ge or Cu interlayer. The formation of intermetallics could not be avoided when Al interlayer was used. Even though no intermetallics were obtained with Au-12Ge or Cu interlayer, appreciable strength of the joint was not found. Next, the simple bonding systems were modeled numerically. It is hoped that the simple models can be extended for higher order alloys. The modeling of TLP joint means to come up with a mathematical model which can predict the concentration profiles of diffusing species. The concentration dependence of diffusivity in a multi-component diffusion system makes it complicated to predict the concentration profiles of diffusing species. The so-called chemical diffusivity can be expressed as a function of thermodynamic and kinetic data. DICTRA software can calculate the concentration profiles using appropriate mobility and thermodynamic data. It can also optimize the diffusivity data using experimental diffusivity data. Then the optimized diffusivity data is stored as mobility data which is a linear function of temperature. In this work, diffusion bonding of commercially pure Ni using Cu interlayers is reported. The mobility parameters of Ni-Cu alloy binary systems were optimized using DICTRA/Thermocalc software from the available self-, tracer and chemical diffusion coefficients. The optimized mobility parameters were used to simulate concentration profiles of Ni-Cu diffusion joints using DICTRA/Thermocalc software. The calculated and experimental concentration profiles agreed well at 1100 °C. This method could not be extended for higher order alloys because of the lack of appropriate thermodynamic and kinetic database. In the third phase industrially important alloys such as SS 321, Inconel 718 and Ti-6Al-4V were diffusion bonded. Diffusion bonded SS 321 with Au-12Ge interlayer provided the best microstructure when bonded in either vacuum or argon at 1050°C for 20 h and cooled in air. The maximum strength obtained of the joint was 387+/-4 MPa bonded in vacuum at 1050°C for 20 h and cooled in air. The microstructure of joint centerline of diffusion bonded Inconel 718 using Au-12Ge interlayer at 1050°C for 15 h and cooled in air consisted of residual interlayer (1.3-2.5 microm). The residual interlayer was disappeared by increasing the bonding time by 5 h, however, pores appeared in the joint centerline. As a result, the strength obtained for bonded Inconel 718 was much lower than that of the base alloy. The joint centerline microstructure of bonded Ti-6Al-4V using Cu interlayer was free of intermetallics and solid solution of Cu and base alloy. The strength of the joint is yet to be determined.

Effect of point defects on the amorphization of metallic alloys during ion implantation. [NiTi

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pedraza, D.F.; Mansur, L.K.

1985-01-01

A theoretical model of radiation-induced amorphization of ordered intermetallic compounds is developed. The mechanism is proposed to be the buildup of lattice defects to very high concentrations, which destabilizes the crystalline structure. Because simple point defects do not normally reach such levels during irradiation, a new defect complex containing a vacancy and an interstitial is hypothesized. Crucial properties of the complex are that the interstitial sees a local chemical environment similar to that of an atom in the ordered lattice, that the formation of the complex prevents mutual recombination and that the complex is immobile. The evolution of a disordermore » based on complexes is not accompanied by like point defect aggregation. The latter leads to the development of a sink microstructure in alloys that do not become amorphous. For electron irradiation, the complexes form by diffusional encounters. For ion irradiation, complexes are also formed directly in cascades. The possibility of direct amorphization in cascades is also included. Calculations for the compound NiTi show reasonable agreement with measured amorphization kinetics.« less

Laser-induced reversion of δ' precipitates in an Al-Li alloy: Study on temperature rise in pulsed laser atom probe.

PubMed

Khushaim, Muna; Gemma, Ryota; Al-Kassab, Talaat

2016-08-01

The influence of tuning the laser pulse energy during the analyses on the resulting microstructure in a specimen utilizing an ultra-fast laser assisted atom probe was demonstrated by a case study of a binary Al-Li alloy. The decomposition parameters, such as the size, number density, volume fraction, and composition of δ' precipitates, were carefully monitored after each analysis. A simple model was employed to estimate the corresponding specimen temperature for each value of the laser energy. The results indicated that the corresponding temperatures for the laser pulse energy in the range of 10 to 80 pJ are located inside the miscibility gap of the binary Al-Li phase diagram and fall into the metastable equilibrium field. In addition, the corresponding temperature for a laser pulse energy of 100 pJ was in fairly good agreement with reported range of  δ' solvus temperature, suggesting a result of reversion upon heating due to laser pulsing. Microsc. Res. Tech. 79:727-737, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

On the origin of residual strain in shape memory alloys: experimental investigation on evolutions in the microstructure of CuAlBe during complex thermomechanical loadings

NASA Astrophysics Data System (ADS)

Barati, M.; Arbab Chirani, S.; Kadkhodaei, M.; Saint-Sulpice, L.; Calloch, S.

2017-02-01

The behaviors of shape memory alloys (SMAs) strongly depend on the presence of different phases: austenite, thermally-induced martensite and stress-induced martensite. Consequently, it is important to know the phase volume fraction of each phases and their evolution during thermomechanical loadings. In this work, a three-phase proportioning method based on electric resistivity variation of a CuAlBe SMA is proposed. Simple thermomechanical loadings (i. e. pseudoplasticity and pseudoelasticity), one-way shape memory effect, recovery stress, assisted two-way memory effect at different level of stress and cyclic pseudoelasticity tests are investigated. Based on the electric resistivity results, during each loading path, evolution of the microstructure is determined. The origin of residual strain observed during the considered thermomechanical loadings is discussed. A special attention is paid to two-way shape memory effect generated after considered cyclic loadings and its relation with the developed residual strain. These results permit to identify and to validate the macroscopic models of SMAs behaviors.

Factors influencing the thermally-induced strength degradation of B/Al composites

NASA Technical Reports Server (NTRS)

Dicarlo, J. A.

1982-01-01

Literature data related to the thermally-induced strength degradation of B/Al composites were examined in the light of fracture theories based on reaction-controlled fiber weakening. Under the assumption of a parabolic time-dependent growth for the interfacial reaction product, a Griffith-type fracture model was found to yield simple equations whose predictions were in good agreement with data for boron fiber average strength and for B/Al axial fracture strain. The only variables in these equations were the time and temperature of the thermal exposure and an empirical factor related to fiber surface smoothness prior to composite consolidation. Such variables as fiber diameter and aluminum alloy composition were found to have little influence. The basic and practical implications of the fracture model equations are discussed.

Columnar-to-Equiaxed Transition and Equiaxed Grain Alignment in Directionally Solidified Ni3Al Alloy Under an Axial Magnetic Field

NASA Astrophysics Data System (ADS)

Liu, Huan; Xuan, Weidong; Xie, Xinliang; Li, Chuanjun; Wang, Jiang; Yu, Jianbo; Li, Xi; Zhong, Yunbo; Ren, Zhongming

2017-09-01

The effect of an axial magnetic field on the solidification structure in directionally solidified Ni-21.5Al-0.4Zr-0.1B (at. pct) alloy was investigated. The experimental results indicated that the application of a high magnetic field caused the deformation of dendrites and the occurrence of columnar-to-equiaxed transition (CET). The magnetic field tended to orient the 〈001〉 crystal direction of the equiaxed grains along the magnetic field direction. The bulk solidification experiment under a high magnetic field showed that the crystal exhibited magnetic crystalline anisotropy. Further, the thermoelectric (TE) magnetic force and TE magnetic convention were analyzed by three-dimensional (3-D) numerical simulations. The results showed that the maximum value of TE magnetic force localized in the vicinity of the secondary dendrite arm root, which should be responsible for the dendrite break and CET. Based on the high-temperature creep mechanism, a simple model was proposed to describe the magnetic field intensity needed for CET: B ≥ kG^{ - 1.5} R^{1.25} . The model is in good agreement with the experiment results. The experimental results should be attributed to the combined action of TE magnetic effects and the magnetic moment.

Attitude Control of Nanosatellites by Paddle Motion Using Elastic Hinges Actuated by Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Iai, Masafumi; Durali, Mohammad; Hatsuzawa, Takeshi

Recent research has been extending the applications of small satellites called microsatellites, nanosatellites, or picosatellites. To further improve capability of those satellites, a lightweight, active attitude-control mechanism is needed. This paper proposes a concept of inertial orientation control, an attitude control method using movable solar arrays. This method is made suitable for nanosatellites by the use of shape memory alloy (SMA)-actuated elastic hinges and a simple maneuver generation algorithm. The combination of SMA and an elastic hinge allows the hinge to remain lightweight and free of frictional or rolling contacts. Changes in the shrinking and stretching speeds of the SMA were measured in a vacuum chamber. The proposed algorithm constructs a maneuver to achieve arbitrary attitude change by repeating simple maneuvers called unit maneuvers. Provided with three types of unit maneuvers, each degree of freedom of the satellite can be controlled independently. Such construction requires only simple calculations, making it a practical algorithm for a nanosatellite with limited computational capability. In addition, power generation variation caused by maneuvers was analyzed to confirm that a maneuver from any initial attitude to an attitude facing the sun was justifiable in terms of the power budget.

Model for the Prediction of the Hydriding Thermodynamics of Pd-Rh-Co Ternary Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teter, D.F.; Thoma, D.J.

1999-03-01

A dilute solution model (with respect to the substitutional alloying elements) has been developed, which accurately predicts the hydride formation and decomposition thermodynamics and the storage capacities of dilute ternary Pd-Rh-Co alloys. The effect of varying the rhodium and cobalt compositions on the thermodynamics of hydride formation and decomposition and hydrogen capacity of several palladium-rhodium-cobalt ternary alloys has been investigated using pressure-composition (PC) isotherms. Alloying in the dilute regime (<10 at.%) causes the enthalpy for hydride formation to linearly decrease with increasing alloying content. Cobalt has a stronger effect on the reduction in enthalpy than rhodium for equivalent alloying amounts.more » Also, cobalt reduces the hydrogen storage capacity with increasing alloying content. The plateau thermodynamics are strongly linked to the lattice parameters of the alloys. A near-linear dependence of the enthalpy of hydride formation on the lattice parameter was observed for both the binary Pd-Rh and Pd-Co alloys, as well as for the ternary Pd-Rh-Co alloys. The Pd-5Rh-3Co (at. %) alloy was found to have similar plateau thermodynamics as a Pd-10Rh alloy, however, this ternary alloy had a diminished hydrogen storage capacity relative to Pd-10Rh.« less

Numerical simulation of freckle formation in directional solidification of binary alloys

NASA Technical Reports Server (NTRS)

Felicelli, Sergio D.; Heinrich, Juan C.; Poirier, David R.

1992-01-01

A mathematical model of solidification is presented which simulates the formation of segregation models known as 'freckles' during directional solidification of binary alloys. The growth of the two-phase or dendritic zone is calculated by solving the coupled equations of momentum, energy, and solute transport, as well as maintaining the thermodynamic constraints dictated by the phase diagram of the alloy. Calculations for lead-tin alloys show that the thermosolutal convection in the dendritic zone during solidification can produce heavily localized inhomogeneities in the composition of the final alloy.

Simulation and Modeling in High Entropy Alloys

NASA Astrophysics Data System (ADS)

Toda-Caraballo, I.; Wróbel, J. S.; Nguyen-Manh, D.; Pérez, P.; Rivera-Díaz-del-Castillo, P. E. J.

2017-11-01

High entropy alloys (HEAs) is a fascinating field of research, with an increasing number of new alloys discovered. This would hardly be conceivable without the aid of materials modeling and computational alloy design to investigate the immense compositional space. The simplicity of the microstructure achieved contrasts with the enormous complexity of its composition, which, in turn, increases the variety of property behavior observed. Simulation and modeling techniques are of paramount importance in the understanding of such material performance. There are numerous examples of how different models have explained the observed experimental results; yet, there are theories and approaches developed for conventional alloys, where the presence of one element is predominant, that need to be adapted or re-developed. In this paper, we review of the current state of the art of the modeling techniques applied to explain HEAs properties, identifying the potential new areas of research to improve the predictability of these techniques.

Influence of plasticity models upon the outcome of simulated hypervelocity impacts

NASA Astrophysics Data System (ADS)

Thomas, John N.

1994-07-01

This paper describes the results of numerical simulations of aluminum upon aluminum impacts which were performed with the CTH hydrocode to determine the effect plasticity formulations upon the final perforation size in the targets. The targets were 1 mm and 5 mm thick plates and the projectiles were 10 mm by 10 mm right circular cylinders. Both targets and projectiles were represented as 2024 aluminium alloy. The hydrocode simulations were run in a two-dimensional cylindrical geometry. Normal impacts at velocites between 5 and 15 km/s were simulated. Three isotropic yield stress models were explored in the simulations: an elastic-perfectly plastic model and the Johnson-Cook and Steinberg-Guinan-Lund viscoplastic models. The fracture behavior was modeled by a simple tensile pressure criterion. The simulations show that using the three strength models resulted in only minor differences in the final perforation diameter. The simulation results were used to construct an equation to predict the final hole size resulting from impacts on thin targets.

STRESS CORROSION CRACKING OF ALLOY 152 WELD BUTTER NEAR THE LOW ALLOY STEEL INTERFACE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alexandreanu, Bogdan; Chen, Yiren; Natesan, Ken

2015-01-01

The objective of this work was to obtain SCC growth data in Alloy 152 weld butter near the interface with Low Alloy Steel (LAS), which is a region where some dilution of Cr was expected to have occurred, thus presumably exhibiting an increased SCC-susceptibility vs. the bulk of the weld. The LAS piece used in this application was Alloy 533-Gr B from the Midland reactor lower head, and the Alloy 152 weld butter received a prototypical Post Weld Heat Treatment (PWHT) prior to joining by Alloy 152 to an Alloy 690 piece according to a procedure qualified to ASME IX.more » The compact tension specimens for SCC testing were aligned in the first layer of the Alloy 152 butter. The experimental approach based on tracking environmental enhancement vs. location was successful in identifying SCC-susceptible locations, and SCC rates ranging from 10-12 m/s to as high as 10-10 m/s were measured. The post-test examination of the specimens found that the fracture had the intergranular/interdendritic appearance typical of welds, and that the propagation was arrested wherever an intersection with the LAS occurred. The large range of SCC rates measured does not appear to correlate well with the local concentration of Cr (approx. 25% at the SCC locations), and, in fact, low Cr (20%) – high Fe “streaks” seemed to slow/arrest crack propagation. In short, simple “Cr dilution” does not seem to fully account for the “SCC-susceptible” microstructure that yielded the 10-10 m/s growth rate in this weld.« less

Synthesis and magnetic properties of rare-earth free MnBi alloy: A high-energy hard magnetic material

NASA Astrophysics Data System (ADS)

Sharma, Sanjeev Kumar; Prakash, H. R.; Ram, S.; Pradhan, D.

2018-04-01

MnBi is a rare-earth free high-energy magnetic material useful for the permanent magnet based devices. In a simple method, a MnBi alloy was prepared by arc melting method using Mn and Bi metals in 60:40 atomic ratio. In terms of the X-ray diffraction, a crystalline MnBi phase is formed with Bi as impurity phase of the as-prepared alloy. FESEM image of chemically etched sample shows small grains throughout the alloy. SEAD pattern and lattice image were studied to understand the internal microstructure of the alloy. The thermomagnetic curves measured in ZFC-FC cycles over 5-380 K temperatures at 500 Oe field, shows the induced magnetization of 5-25 % in the sample. The coercivity values, 7.455 kOe (13.07 emu/g magnetization) at 380 K, and 5.185k Oe (14.75 emu/g magnetization) at 300 K, are observed in the M-H hysteresis loops. A decreased value 0.181kOe (18.05 emu/g magnetization) appears at 100 K due to the change in the magnetocrystalline anisotropy. The results are useful to fabricate small MnBi magnets for different permanent magnets based devices.

Diffusional transport and predicting oxidative failure during cyclic oxidation of beta-NiAl alloys

NASA Technical Reports Server (NTRS)

Nesbitt, J. A.; Vinarcik, E. J.; Barrett, C. A.; Doychak, J.

1992-01-01

Nickel aluminides (NiAl) containing 40-50 at. percent Al and up to 0.1 at. percent Zr have been studied following cyclic oxidation at 1200, 1300, 1350 and 1400 C. The selective oxidation of aluminum resulted in the formation of protective Al2O3 scales on each alloy composition at each temperature. However, repeated cycling eventually resulted in the gradual formation of less protective NiAl2O4. The appearance of the NiAl2O4, signaling the end of the protective scale-forming capability of the alloy, was related to the presence of gamma-prime-(Ni3Al) which formed as a result of the loss of aluminum from the sample. A simple methodology is presented to predict the protective life of beta-NiAl alloys. This method predicts the oxidative lifetime due to aluminum depletion when the aluminum concentration decreases to a critical concentration. The time interval preceding NiAl2O4 formation (i.e., the lifetime based on protective Al2O3 formation) and predicted lifetimes are compared and discussed. Use of the method to predict the maximum use temperature for NiAl-Zr alloys is also discussed.

Fabrication of superhydrophobic surface with improved corrosion inhibition on 6061 aluminum alloy substrate

NASA Astrophysics Data System (ADS)

Li, Xuewu; Zhang, Qiaoxin; Guo, Zheng; Shi, Tian; Yu, Jingui; Tang, Mingkai; Huang, Xingjiu

2015-07-01

This work has developed a simple and low-cost method to render 6061 aluminum alloy surface superhydrophobicity and excellent corrosion inhibition. The superhydrophobic aluminum alloy surface has been fabricated by hydrochloric acid etching, potassium permanganate passivation and fluoroalkyl-silane modification. Meanwhile, the effect of the etching and passivation time on the wettability and corrosion inhibition of the fabricated surface has also been investigated. Results show that with the etching time of 6 min and passivation time of 180 min the fabricated micro/nano-scale terrace-like hierarchical structures accompanying with the nanoscale coral-like network bulge structures after being modified can result in superhydrophobicity with a water contact angle (CA) of 155.7°. Moreover, an extremely weak adhesive force to droplets as well as an outstanding self-cleaning behavior of the superhydrophobic surface has also been proved. Finally, corrosion inhibition in seawater of the as-prepared aluminum alloy surface is characterized by potentiodynamic polarization curves and electrochemical impedance spectroscopy. Evidently, the fabricated superhydrophobic surface attained an improved corrosion inhibition efficiency of 83.37% compared with the traditional two-step processing consisting of etching and modification, which will extend the further applications of aluminum alloy especially in marine engineering fields.

Braze alloy process and strength characterization studies for 18 nickel grade 200 maraging steel with application to wind tunnel models

NASA Technical Reports Server (NTRS)

Bradshaw, James F.; Sandefur, Paul G., Jr.; Young, Clarence P., Jr.

1991-01-01

A comprehensive study of braze alloy selection process and strength characterization with application to wind tunnel models is presented. The applications for this study include the installation of stainless steel pressure tubing in model airfoil sections make of 18 Ni 200 grade maraging steel and the joining of wing structural components by brazing. Acceptable braze alloys for these applications are identified along with process, thermal braze cycle data, and thermal management procedures. Shear specimens are used to evaluate comparative shear strength properties for the various alloys at both room and cryogenic (-300 F) temperatures and include the effects of electroless nickel plating. Nickel plating was found to significantly enhance both the wetability and strength properties for the various braze alloys studied. The data are provided for use in selecting braze alloys for use with 18 Ni grade 200 steel in the design of wind tunnel models to be tested in an ambient or cryogenic environment.

Cyclic Plasticity Constitutive Model for Uniaxial Ratcheting Behavior of AZ31B Magnesium Alloy

NASA Astrophysics Data System (ADS)

Lin, Y. C.; Liu, Zheng-Hua; Chen, Xiao-Min; Long, Zhi-Li

2015-05-01

Investigating the ratcheting behavior of magnesium alloys is significant for the structure's reliable design. The uniaxial ratcheting behavior of AZ31B magnesium alloy is studied by the asymmetric cyclic stress-controlled experiments at room temperature. A modified kinematic hardening model is established to describe the uniaxial ratcheting behavior of the studied alloy. In the modified model, the material parameter m i is improved as an exponential function of the maximum equivalent stress. The modified model can be used to predict the ratcheting strain evolution of the studied alloy under the single-step and multi-step asymmetric stress-controlled cyclic loadings. Additionally, due to the significant effect of twinning on the plastic deformation of magnesium alloy, the relationship between the material parameter m i and the linear density of twins is discussed. It is found that there is a linear relationship between the material parameter m i and the linear density of twins induced by the cyclic loadings.

Band crossing in isovalent semiconductor alloys with large size mismatch

NASA Astrophysics Data System (ADS)

Deng, Hui-Xiong; Wei, Su-Huai

2012-02-01

Mixing isovalent compounds AC with BC to form alloys A1-xBxC has been an effective way in band structure engineering to enhance the availability of material properties. In most cases, the mixed isovalent atoms A and B, such as Al and Ga in Al1-xGaxAs or As and Sb in GaAs1-xSbx are similar in their atomic sizes and chemical potentials; therefore, the physical properties of A1-xBxC change smoothly from AC to BC. However, in some cases when the chemical and size differences between the isovalent atoms A and B are large, adding a small amount of B to AC or vice versa can lead to a discontinuous change in the electronic band structure. These large size- and chemicalmismatched (LSCM) systems often show unusual and abrupt changes in the alloys' material properties, which provide great potential in material design for novel device applications. In this report, based on first-principles band-structure calculations we show that for LSCM GaAs1-xNx and GaAs1-xBix alloys at the impurity limit the N (Bi)-induced impurity level is above (below) the conduction-(valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

Prediction of as-cast grain size of inoculated aluminum alloys melt solidified under non-isothermal conditions

NASA Astrophysics Data System (ADS)

Du, Qiang; Li, Yanjun

2015-06-01

In this paper, a multi-scale as-cast grain size prediction model is proposed to predict as-cast grain size of inoculated aluminum alloys melt solidified under non-isothermal condition, i.e., the existence of temperature gradient. Given melt composition, inoculation and heat extraction boundary conditions, the model is able to predict maximum nucleation undercooling, cooling curve, primary phase solidification path and final as-cast grain size of binary alloys. The proposed model has been applied to two Al-Mg alloys, and comparison with laboratory and industrial solidification experimental results have been carried out. The preliminary conclusion is that the proposed model is a promising suitable microscopic model used within the multi-scale casting simulation modelling framework.

Differential-Coil Eddy-Current Material Sorter

NASA Technical Reports Server (NTRS)

Nummelin, J.; Buckley, D.

1985-01-01

Small metal or other electrically conductive parts of same shape but different composition quickly sorted with differential-coil eddy-current sorter. Developed to distinguish between turbine blades of different alloys, hardnesses, and residual stress, sorter generally applicable to parts of simple and complex shape.

Thermomechanical coupling and dynamic strain ageing in ductile fracture

NASA Astrophysics Data System (ADS)

Delafosse, David

1995-01-01

This work is concerned with plastic deformation at the tip of a ductile tearing crack during propagation. Two kinds of effects are investigated: the thermomechanical coupling at the tip of a mobile ductile crack, and the influence of Dynamic Strain Aging (DSA) on ductile fracture. Three alloys are studied: a nickel based superalloy (N18), a soft carbon steel, and an Al-Li light alloy (2091). The experimental study of the thermo mechanical coupling effects by means of infrared thermography stresses the importance of plastic dissipation in the energy balance of ductile fracture. Numerical simulations involving plastic deformation as the only dissipation mechanism account for the main part of the measured heating. The effects of DSA on ductile tearing are investigated in the 2091 Al-Li alloy. Based on the strain rate/temperature dependence predicted by the standard model of DSA, an experimental procedure is set up for this purpose. Three main effects are evidenced. A maximum in tearing resistance is shown to be associated with the minimum of strain rate sensitivity. Through a simple model, this peak in tearing resistance is attributed to an increase in plastic dissipation as the strain rate sensitivity is decreased. Heterogenous plastic deformation is observed in the crack tip plastic zone. Comparison with uniaxial testing allows us to identify the observed strain heterogeneities as Portevin-Le Chatelier instabilities in the crack tip plastic zone. We perform a simplified numerical analysis of the effect of strain localization on crack tip screening. Finally, small crack propagation instabilities appear at temperatures slightly above that of the tearing resistance peak. These are interpreted as resulting from a positive feed-back between the local heating at the tip of a moving crack and the decrease in tearing resistance with increasing temperature.

Surface composition of alloys

NASA Astrophysics Data System (ADS)

Sachtler, W. M. H.

1984-11-01

In equilibrium, the composition of the surface of an alloy will, in general, differ from that of the bulk. The broken-bond model is applicable to alloys with atoms of virtually equal size. If the heat of alloy formation is zero, the component of lower heat of atomization is found enriched in the surface. If both partners have equal heats of sublimination, the surface of a diluted alloy is enriched with the minority component. Size effects can enhance or weaken the electronic effects. In general, lattice strain can be relaxed by precipitating atoms of deviating size on the surface. Two-phase alloys are described by the "cherry model", i.e. one alloy phase, the "kernel" is surrounded by another alloy, the "flesh", and the surface of the outer phase, the "skin" displays a deviating surface composition as in monophasic alloys. In the presence of molecules capable of forming chemical bonds with individual metal atoms, "chemisorption induced surface segregation" can be observed at low temperatures, i.e. the surface becomes enriched with the metal forming the stronger chemisorption bonds.

Scale-Up of GRCop: From Laboratory to Rocket Engines

NASA Technical Reports Server (NTRS)

Ellis, David L.

2016-01-01

GRCop is a high temperature, high thermal conductivity copper-based series of alloys designed primarily for use in regeneratively cooled rocket engine liners. It began with laboratory-level production of a few grams of ribbon produced by chill block melt spinning and has grown to commercial-scale production of large-scale rocket engine liners. Along the way, a variety of methods of consolidating and working the alloy were examined, a database of properties was developed and a variety of commercial and government applications were considered. This talk will briefly address the basic material properties used for selection of compositions to scale up, the methods used to go from simple ribbon to rocket engines, the need to develop a suitable database, and the issues related to getting the alloy into a rocket engine or other application.

Transparent nickel selenide alloy counter electrodes for bifacial dye-sensitized solar cells exceeding 10% efficiency.

PubMed

Duan, Yanyan; Tang, Qunwei; He, Benlin; Li, Ru; Yu, Liangmin

2014-11-07

In the current work, we report a series of bifacial dye-sensitized solar cells (DSSCs) that provide power conversion efficiencies of more than 10% from bifacial irradiation. The device comprises an N719-sensitized TiO2 anode, a transparent nickel selenide (Ni-Se) alloy counter electrode (CE), and liquid electrolyte containing I(-)/I3(-) redox couples. Because of the high optical transparency, electron conduction ability, electrocatalytic activity of Ni-Se CEs, as well as dye illumination, electron excitation and power conversion efficiency have been remarkably enhanced. Results indicate that incident light from a transparent CE has a compensation effect to the light from the anode. The impressive efficiency along with simple preparation of the cost-effective Ni-Se alloy CEs highlights the potential application of bifacial illumination technique in robust DSSCs.

Quantum Critical Behavior in a Concentrated Ternary Solid Solution

PubMed Central

Sales, Brian C.; Jin, Ke; Bei, Hongbin; Stocks, G. Malcolm; Samolyuk, German D.; May, Andrew F.; McGuire, Michael A.

2016-01-01

The face centered cubic (fcc) alloy NiCoCrx with x ≈ 1 is found to be close to the Cr concentration where the ferromagnetic transition temperature, Tc, goes to 0. Near this composition these alloys exhibit a resistivity linear in temperature to 2 K, a linear magnetoresistance, an excess –TlnT (or power law) contribution to the low temperature heat capacity, and excess low temperature entropy. All of the low temperature electrical, magnetic and thermodynamic properties of the alloys with compositions near x ≈ 1 are not typical of a Fermi liquid and suggest strong magnetic fluctuations associated with a quantum critical region. The limit of extreme chemical disorder in this simple fcc material thus provides a novel and unique platform to study quantum critical behavior in a highly tunable system. PMID:27188715

The 1200 K compressive properties of N-containing NiAl

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel; Noebe, R. D.; Wheeler, D. R.

1995-01-01

As part of a series of experiments to understand the role of N on the strength of NiAl, a heat of NiAl was enriched with N by melting and atomization to powder in a nitrogen atmosphere. Following consolidation of the powder by hot extrusion, 1200 K compressive properties were measured in air. Within the range of strain rates examined, 10(exp -3) to 10(exp -9) s(exp -1), the strength of the N-enriched NiAl was greater than that of a simple 15 micron grain size polycrystalline, binary NiAl alloy. For the most part the overall improvement in strength is ascribed to the fine grain size of the N-doped NiAl rather than the alloy chemistry; however, the alloy displayed a complex behavior exhibiting both weakening effects as well as strengthening ones.

Quantum critical behavior in a concentrated ternary solid solution

DOE PAGES

Sales, Brian C.; Bei, Hongbin; Stocks, George Malcolm; ...

2016-05-18

The face centered cubic (fcc) alloy NiCoCr x with x ≈ 1 is found to be close to the Cr concentration where the ferromagnetic transition temperature, Tc, goes to 0. Near this composition these alloys exhibit a resistivity linear in temperature to 2 K, a linear magnetoresistance, an excess –TlnT (or power law) contribution to the low temperature heat capacity, and excess low temperature entropy. All of the low temperature electrical, magnetic and thermodynamic properties of the alloys with compositions near x ≈ 1 are not typical of a Fermi liquid and suggest strong magnetic fluctuations associated with a quantummore » critical region. Lastly, the limit of extreme chemical disorder in this simple fcc material thus provides a novel and unique platform to study quantum critical behavior in a highly tunable system.« less

Preparation of highly pure α-MnBi phase via melt-spinning

NASA Astrophysics Data System (ADS)

Gabay, A. M.; Hadjipanayis, G. C.; Cui, J.

2018-05-01

High concentration of the magnetically hard α phase in the Mn-Bi alloys is important for the development of these alloys as rare-earth-free permanent magnets. Among several explored manufacturing methods, melt-spinning followed by annealing is known to be suitable of producing the most pure α structure. In this work, a series of melt-spun Mn100-xBix alloys was prepared with x = 43 - 51 at a wheel speed of 67 m/s by ejecting the alloys through orifices 0.17 mm and 0.27 mm in diameter. The smaller orifice diameter favored formation of an amorphous phase in the as-spun alloys as well as a higher saturation magnetization Ms in the alloys subsequently annealed at 300 °C. Although the most pure, 98 vol.%, α phase was obtained for the off-stoichiometric Mn55Bi45 composition, the Ms of this material was lowered, possibly because the excess Mn atoms induced antiferromagnetic coupling in the α phase. The highest Ms of 78 emu/g was obtained for a composition closer to the Mn50Bi50 stoichiometry, despite the slightly lower purity of α phase. Evolution of the room-temperature coercivity with the formation of the α phase in the melt-spun alloys was studied for the Mn55Bi45 ribbons compacted at 275 °C; the coercivity values of around 1 kOe obtained through this simple procedure are not sufficient for permanent magnet applications.

Finite element modelling of aluminum alloy 2024-T3 under transverse impact loading

NASA Astrophysics Data System (ADS)

Abdullah, Ahmad Sufian; Kuntjoro, Wahyu; Yamin, A. F. M.

2017-12-01

Fiber metal laminate named GLARE is a new aerospace material which has great potential to be widely used in future lightweight aircraft. It consists of aluminum alloy 2024-T3 and glass-fiber reinforced laminate. In order to produce reliable finite element model of impact response or crashworthiness of structure made of GLARE, one can initially model and validate the finite element model of the impact response of its constituents separately. The objective of this study was to develop a reliable finite element model of aluminum alloy 2024-T3 under low velocity transverse impact loading using commercial software ABAQUS. Johnson-Cook plasticity and damage models were used to predict the alloy's material properties and impact behavior. The results of the finite element analysis were compared to the experiment that has similar material and impact conditions. Results showed good correlations in terms of impact forces, deformation and failure progressions which concluded that the finite element model of 2024-T3 aluminum alloy under low velocity transverse impact condition using Johnson-Cook plastic and damage models was reliable.

Real-time synchrotron x-ray observations of equiaxed solidification of aluminium alloys and implications for modelling

NASA Astrophysics Data System (ADS)

Prasad, A.; Liotti, E.; McDonald, S. D.; Nogita, K.; Yasuda, H.; Grant, P. S.; StJohn, D. H.

2015-06-01

Recently, in-situ observations were carried out by synchrotron X-ray radiography to observe the nucleation and growth in Al alloys during solidification. The nucleation and grain formation of a range of Al-Si and Al-Cu binary alloys were studied. When grain refiner was added to the alloys, the location of the nucleation events was readily observed. Once nucleation began it continued to occur in a wave of events with the movement of the temperature gradient across the field of view due to cooling. Other features observed were the settling of the primary phase grains in the Al-Si alloys and floating in the Al-Cu alloys, the effects of convection with marked fluctuation of the growth rate of the solid-liquid interface in the Al-Si alloys, and an absence of fragmentation. The microstructures are typical of those produced in the equiaxed zone of actual castings. These observations are compared with predictions arising from the Interdependence model. The results from this comparison have implications for further refinement of the model and simulation and modelling approaches in general. These implications will be discussed.

Biocompatibility effects of indirect exposure of base-metal dental casting alloys to a human-derived three-dimensional oral mucosal model.

PubMed

McGinley, Emma Louise; Moran, Gary P; Fleming, Garry J P

2013-11-01

The study employed a three-dimensional (3D) human-derived oral mucosal model to assess the biocompatibility of base-metal dental casting alloys ubiquitous in fixed prosthodontic and orthodontic dentistry. Oral mucosal models were generated using primary human oral keratinocyte and gingival fibroblast cells seeded onto human de-epidermidised dermal scaffolds. Nickel-chromium (Ni-Cr) and cobalt-chromium (Co-Cr) base-metal alloy immersion solutions were exposed to oral mucosal models for increasing time periods (2-72h). Analysis methodologies (histology, viable cell counts, oxidative stress, cytokine expression and toxicity) were performed following exposure. Ni-based alloy immersion solutions elicited significantly decreased cell viability (P<0.0004) with increased oxidative stress (P<0.0053), inflammatory cytokine expression (P<0.0077) and cellular toxicity levels (P<0.0001) compared with the controls. However, the Ni-free Co-Cr-based alloy immersion solutions did not elicit adverse oxidative stress (P>0.4755) or cellular toxicity (P<0.2339) responses compared with controls. Although the multiple analyses highlighted Ni-Cr base-metal alloy immersion solutions elicited significantly detrimental effects to the oral mucosal models, it was possible to distinguish between Ni-Cr alloys using the approach employed. The study employed a 3D human-derived full-thickness differentiated oral mucosal model suitable for biocompatibility assessment of base-metal dental casting alloys through discriminatory experimental parameters. Increasing incidences of Ni hypersensitivity in the general population warrants serious consideration from dental practitioners and patients alike where fixed prosthodontic/orthodontic dental treatments are the treatment modality involved. The novel and analytical oral mucosal model has the potential to significantly contribute to the advancement of reproducible dental medical device and dental material appraisals. Copyright © 2013 Elsevier Ltd. All rights reserved.

Cellular and dendritic growth in a binary melt - A marginal stability approach

NASA Technical Reports Server (NTRS)

Laxmanan, V.

1986-01-01

A simple model for the constrained growth of an array of cells or dendrites in a binary alloy in the presence of an imposed positive temperature gradient in the liquid is proposed, with the dendritic or cell tip radius calculated using the marginal stability criterion of Langer and Muller-Krumbhaar (1977). This approach, an approach adopting the ad hoc assumption of minimum undercooling at the cell or dendrite tip, and an approach based on the stability criterion of Trivedi (1980) all predict tip radii to within 30 percent of each other, and yield a simple relationship between the tip radius and the growth conditions. Good agreement is found between predictions and data obtained in a succinonitrile-acetone system, and under the present experimental conditions, the dendritic tip stability parameter value is found to be twice that obtained previously, possibly due to a transition in morphology from a cellular structure with just a few side branches, to a more fully developed dendritic structure.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar

The development and understanding of the mechanical properties of neutron-irradiated FeCrAl alloys is increasingly a critical need as these alloys continue to become more mature for nuclear reactor applications. This study focuses on the mechanical properties of model FeCrAl alloys and of a commercial FeCrAl alloy neutron-irradiated to up to 13.8 displacements per atom (dpa) at irradiation temperatures between 320 and 382 °C. Tensile tests were completed at room temperature and at 320 °C, and a subset of fractured tensile specimens was examined by scanning electron microscopy. Results showed typical radiation hardening and embrittlement indicative of high chromium ferritic alloysmore » with strong chromium composition dependencies at lower doses. At and above 7.0 dpa, the mechanical properties saturated for both the commercial and model FeCrAl alloys, although brittle cleavage fracture was observed at the highest dose in the model FeCrAl alloy with the highest chromium content (18 wt %). Finally, the results suggest the composition and microstructure of FeCrAl alloys plays a critical role in the mechanical response of FeCrAl alloys irradiated near temperatures relevant to light water reactors.« less

Validity of the Stokes-Einstein relation in liquids: simple rules from the excess entropy.

PubMed

Pasturel, A; Jakse, N

2016-12-07

It is becoming common practice to consider that the Stokes-Einstein relation D/T~ η -1 usually works for liquids above their melting temperatures although there is also experimental evidence for its failure. Here we investigate numerically this commonly-invoked assumption for simple liquid metals as well as for their liquid alloys. Using ab initio molecular dynamics simulations we show how entropy scaling relationships developed by Rosenfeld can be used to predict the conditions for the validity of the Stokes-Einstein relation in the liquid phase. Specifically, we demonstrate the Stokes-Einstein relation may break down in the liquid phase of some liquid alloys mainly due to the presence of local structural ordering as evidenced in their partial two-body excess entropies. Our findings shed new light on the understanding of transport properties of liquid materials and will trigger more experimental and theoretical studies since excess entropy and its two-body approximation are readily obtainable from standard experiments and simulations.

Magnetically Actuated Cilia for Microfluidic Manipulation

NASA Astrophysics Data System (ADS)

Hanasoge, Srinivas; Owen, Drew; Ballard, Matt; Hesketh, Peter J.; Alexeev, Alexander; Woodruff School of Mechanical Engineering Collaboration; Petit InstituteBioengineering; Biosciences Collaboration

2015-11-01

We demonstrate magnetic micro-cilia based microfluidic mixing and capture techniques. For this, we use a simple and easy to fabricate high aspect ratio cilia, which are actuated magnetically. These micro-features are fabricated by evaporating NiFe alloy at room temperature, on to patterned photoresist. The evaporated alloy curls upwards when the seed layer is removed to release the cilia, thus making a free standing `C' shaped magnetic microstructure. This is actuated using an external electromagnet or a rotating magnet. The artificial cilia can be actuated upto 20Hz. We demonstrate the active mixing these cilia can produce in the microchannel. Also, we demonstrate the capture of target species in a sample using these fast oscillating cilia. The surface of the cilia is functionalized by streptavidin which binds to biotin labelled fluorescent microspheres and mimic the capture of bacteria. We show very high capture efficiencies by using these methods. These simple to fabricate micro cilia can easily be incorporated into many microfluidic systems which require high mixing and capture efficiencies.

Porous carbon-free SnSb anodes for high-performance Na-ion batteries

NASA Astrophysics Data System (ADS)

Choi, Jeong-Hee; Ha, Choong-Wan; Choi, Hae-Young; Seong, Jae-Wook; Park, Cheol-Min; Lee, Sang-Min

2018-05-01

A simple melt-spinning/chemical-etching process is developed to create porous carbon-free SnSb anodes. Sodium ion batteries (SIBs) incorporating these anodes exhibit excellent electrochemical performances by accomodating large volume changes during repeated cycling. The porous carbon-free SnSb anode produced by the melt-spinning/chemical-etching process shows a high reversible capacity of 481 mAh g-1, high ICE of 80%, stable cyclability with a high capacity retention of 99% after 100 cycles, and a fast rate capability of 327 mAh g-1 at 4C-rate. Ex-situ X-ray diffraction and high resolution-transmission electron microscopy analyses demonstrate that the synthesized porous carbon-free SnSb anodes involve the highly reversible reaction with sodium through the conversion and recombination reactions during sodiation/desodiation process. The novel and simple melt-spinning/chemical-etching synthetic process represents a technological breakthrough in the commercialization of Na alloy-able anodes for SIBs.

Patterns of Alloy Deformation by Pulsed Pressure

NASA Astrophysics Data System (ADS)

Chebotnyagin, L. M.; Potapov, V. V.; Lopatin, V. V.

2015-06-01

Patterns of alloy deformation for optimization of a welding regime are studied by the method of modeling and deformation profiles providing high deformation quality are determined. A model of stepwise kinetics of the alloy deformation by pulsed pressure from the expanding plasma channel inside of a deformable cylinder is suggested. The model is based on the analogy between the acoustic and electromagnetic wave processes in long lines. The shock wave pattern of alloy deformation in the presence of multiple reflections of pulsed pressure waves in the gap plasma channel - cylinder wall and the influence of unloading waves from free surfaces are confirmed.

Bridgman growth of semiconductors

NASA Technical Reports Server (NTRS)

Carlson, F. M.

1985-01-01

The purpose of this study was to improve the understanding of the transport phenomena which occurs in the directional solidification of alloy semiconductors. In particular, emphasis was placed on the strong role of convection in the melt. Analytical solutions were not deemed possible for such an involved problem. Accordingly, a numerical model of the process was developed which simulated the transport. This translates into solving the partial differential equations of energy, mass, species, and momentum transfer subject to various boundary and initial conditions. A finite element method with simple elements was initially chosen. This simulation tool will enable the crystal grower to systematically identify and modify the important design factors within her control to produce better crystals.

In vivo degradation effects of alloy MgNd2 in contact with mucous tissue.

PubMed

Seitz, J-M; Eifler, R; Weber, C; Lenarz, Th; Maier, H J; Durisin, M

2014-12-10

Magnesium alloys are currently being investigated for use as resorbable bio-materials. Various applications for magnesium based implant materials have already been presented. Currently, stents and structures that sustain diseased or narrowed vessels seem to be the most promising areas. This study focuses on the use of a magnesium fluoride (MgF 2 ) coated magnesium neodymium based alloy (MgNd2) and its use as a post-surgery stent material to avoid proliferation in the sinus region. Simple cylindrical shaped specimens were sewn to the sinus' mucosa of pigs and left in place for different periods of time to investigate the long-term corrosion resistance of the alloy and its coating during direct contact with physiological tissue. Investigations made within this study explicitly focused on the corrosive behavior of the alloy in the region of a physiological sinus. Thus, losses in mass and volume, and element analyses were considered to obtain information about the specimens' corrosion performance over time. Furthermore, micrographs support the alloy specific corrosion type analyses which focus on grain boundary effects. This study demonstrates the general in vivo applicability of fluoride coated MgNd2. The progress of corrosion was determined to be adequate and homogeneous over a total period of 180 days. This article is protected by copyright. All rights reserved. Copyright © 2014 Wiley Periodicals, Inc., A Wiley Company.

The iron-nickel-phosphorus system: Effects on the distribution of trace elements during the evolution of iron meteorites

NASA Astrophysics Data System (ADS)

Corrigan, Catherine M.; Chabot, Nancy L.; McCoy, Timothy J.; McDonough, William F.; Watson, Heather C.; Saslow, Sarah A.; Ash, Richard D.

2009-05-01

To better understand the partitioning behavior of elements during the formation and evolution of iron meteorites, two sets of experiments were conducted at 1 atm in the Fe-Ni-P system. The first set examined the effect of P on solid metal/liquid metal partitioning behavior of 22 elements, while the other set explored the effect of the crystal structures of body-centered cubic (α)- and face-centered cubic (γ)-solid Fe alloys on partitioning behavior. Overall, the effect of P on the partition coefficients for the majority of the elements was minimal. As, Au, Ga, Ge, Ir, Os, Pt, Re, and Sb showed slightly increasing partition coefficients with increasing P-content of the metallic liquid. Co, Cu, Pd, and Sn showed constant partition coefficients. Rh, Ru, W, and Mo showed phosphorophile (P-loving) tendencies. Parameterization models were applied to solid metal/liquid metal results for 12 elements. As, Au, Pt, and Re failed to match previous parameterization models, requiring the determination of separate parameters for the Fe-Ni-S and Fe-Ni-P systems. Experiments with coexisting α and γ Fe alloy solids produced partitioning ratios close to unity, indicating that an α versus γ Fe alloy crystal structure has only a minor influence on the partitioning behaviors of the trace element studied. A simple relationship between an element's natural crystal structure and its α/γ partitioning ratio was not observed. If an iron meteorite crystallizes from a single metallic liquid that contains both S and P, the effect of P on the distribution of elements between the crystallizing solids and the residual liquid will be minor in comparison to the effect of S. This indicates that to a first order, fractional crystallization models of the Fe-Ni-S-P system that do not take into account P are appropriate for interpreting the evolution of iron meteorites if the effects of S are appropriately included in the effort.

Predicting Microstructure and Microsegregation in Multicomponent Aluminum Alloys

NASA Astrophysics Data System (ADS)

Yan, Xinyan; Ding, Ling; Chen, ShuangLin; Xie, Fanyou; Chu, M.; Chang, Y. Austin

Accurate predictions of microstructure and microsegregation in metallic alloys are highly important for applications such as alloy design and process optimization. Restricted assumptions concerning the phase diagram could easily lead to erroneous predictions. The best approach is to couple microsegregation modeling with phase diagram computations. A newly developed numerical model for the prediction of microstructure and microsegregation in multicomponent alloys during dendritic solidification was introduced. The micromodel is directly coupled with phase diagram calculations using a user-friendly and robust phase diagram calculation engine-PANDAT. Solid state back diffusion, undercooling and coarsening effects are included in this model, and the experimentally measured cooling curves are used as the inputs to carry out the calculations. This model has been used to predict the microstructure and microsegregation in two multicomponent aluminum alloys, 2219 and 7050. The calculated values were confirmed using results obtained from directional solidification.

Results from Alloy 600 And Alloy 690 Caustic SCC Model Boiler Tests

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Frederick D.; Thomas, Larry E.

2009-08-03

A versatile model boiler test methodology was developed and used to compare caustic stress corrosion cracking (SCC) of mill annealed Alloy 600 and thermally treated Alloy 690. The model boiler included simulated crevice devices that efficiently and consistently concentrated Na2CO3, resulting in volatilization of CO2 with the steam and concentration of NaOH at the tube surfaces. The test methodology also included variation in tube stress, either produced by the primary to secondary side pressure differential, or by a novel method that reproducibly yields a higher stress condition on the tube. The significant effect of residual stress on tube SCC wasmore » also considered. SCC of both Alloy 600 and Alloy 690 were evaluated as a function of temperature and stress. Analytical transmission electron microscopy (ATEM) evaluations of the cracks and the grain boundaries ahead of the cracks were performed, providing insight into the SCC mechanism. This model boiler test methodology may be applicable to a range of bulkwater secondary chemistries that concentrate to produce aggressive crevice environments.« less

Factors influencing the thermally-induced strength degradation of B/Al composites

NASA Technical Reports Server (NTRS)

Dicarlo, J. A.

1983-01-01

Literature data related to the thermally-induced strength degradation of B/Al composites were examined in the light of fracture theories based on reaction-controlled fiber weakening. Under the assumption of a parabolic time-dependent growth for the interfacial reaction product, a Griffith-type fracture model was found to yield simple equations whose predictions were in good agreement with data for boron fiber average strength and for B/Al axial fracture strain. The only variables in these equations were the time and temperature of the thermal exposure and an empirical factor related to fiber surface smoothness prior to composite consolidation. Such variables as fiber diameter and aluminum alloy composition were found to have little influence. The basic and practical implications of the fracture model equations are discussed. Previously announced in STAR as N82-24297

High-Temperature Oxidation Behavior of Al-Co-Cr-Ni-(Fe or Si) Multicomponent High-Entropy Alloys

NASA Astrophysics Data System (ADS)

Butler, T. M.; Alfano, J. P.; Martens, R. L.; Weaver, M. L.

2015-01-01

High-entropy alloys (HEAs) are a class of alloys that are being considered for a number of applications. In the present study, the microstructures and 1050°C oxidation behaviors of two HEAs, Al10Cr22.5Co22.5Ni22.5Fe22.5 (at.%) and Al20Cr25Co25Ni25Si5 have been investigated along with Al15Cr10Co35Ni35Si5, which is a high-temperature shape-memory alloy. Oxide formation occurred via selective oxidation in a manner that was consistent with the oxide formation model devised by Giggins and Pettit for model Ni-Cr-Al alloys. The lower Al content alloy formed an external Cr2O3 scale and an internal subscale consisting of Al2O3 and AlN precipitates. The higher Al content alloys exhibited smaller mass gains and formed external Al2O3 scales without any internal oxidation of the alloys.

Superplasticity in a lean Fe-Mn-Al steel.

PubMed

Han, Jeongho; Kang, Seok-Hyeon; Lee, Seung-Joon; Kawasaki, Megumi; Lee, Han-Joo; Ponge, Dirk; Raabe, Dierk; Lee, Young-Kook

2017-09-29

Superplastic alloys exhibit extremely high ductility (>300%) without cracks when tensile-strained at temperatures above half of their melting point. Superplasticity, which resembles the flow behavior of honey, is caused by grain boundary sliding in metals. Although several non-ferrous and ferrous superplastic alloys are reported, their practical applications are limited due to high material cost, low strength after forming, high deformation temperature, and complicated fabrication process. Here we introduce a new compositionally lean (Fe-6.6Mn-2.3Al, wt.%) superplastic medium Mn steel that resolves these limitations. The medium Mn steel is characterized by ultrafine grains, low material costs, simple fabrication, i.e., conventional hot and cold rolling, low deformation temperature (ca. 650 °C) and superior ductility above 1300% at 850 °C. We suggest that this ultrafine-grained medium Mn steel may accelerate the commercialization of superplastic ferrous alloys.Research in new alloy compositions and treatments may allow the increased strength of mass-produced, intricately shaped parts. Here authors introduce a superplastic medium manganese steel which has an inexpensive lean chemical composition and which is suited for conventional manufacturing processes.

Non-conventional Pt-Cu alloy/carbon paper electrochemical catalyst formed by electrodeposition using hydrogen bubble as template

NASA Astrophysics Data System (ADS)

Kim, Youngkwang; Lee, Hyunjoon; Lim, Taeho; Kim, Hyun-Jong; Kwon, Oh Joong

2017-10-01

With emerging stability issues in fuel cell technology, a non-conventional catalyst not supported on carbon materials has been highlighted because it can avoid negative influences of carbon support materials on the stability, such as carbon corrosion. The nanostructured thin film catalyst is representative of non-conventional catalysts, which shows improved stability, enhanced mass specific activity, and fast mass transfer at high current densities. However, the nanostructured thin film catalyst usually requires multi-step processes for fabrication, making its mass production complex and irreproducible. We introduce a Pt-Cu alloy nanostructured thin film catalyst, which can be simply prepared by electrodeposition. By using hydrogen bubbles as a template, a three-dimensional free-standing foam of Cu was electrodeposited directly on the micro-porous layer/carbon paper and it was then displaced with Pt by simple immersion. The structure characterization revealed that a porous thin Pt-Cu alloy catalyst layer was successfully formed on the micro-porous layer/carbon paper. The synthesized Pt-Cu alloy catalyst exhibited superior durability compared to a conventional Pt/C in single cell test.

Predicted trends of core-shell preferences for 132 late transition-metal binary-alloy nanoparticles.

PubMed

Wang, Lin-Lin; Johnson, Duane D

2009-10-07

Transition-metal alloyed nanoparticles with core-shell features (shell enrichment by one of the metals) are becoming ubiquitous, from (electro-)catalysis to biomedical applications, due to their size control, performance, biocompatibility, and cost. We investigate 132 binary-alloyed nanoparticle systems (groups 8 to 11 in the Periodic Table) using density functional theory (DFT) and systematically explore their segregation energies to determine core-shell preferences. We find that core-shell preferences are generally described by two independent factors: (1) cohesive energy (related to vapor pressure) and (2) atomic size (quantified by the Wigner-Seitz radius), and the interplay between them. These independent factors are shown to provide general trends for the surface segregation preference for atoms in nanoparticles, as well as semi-infinite surfaces, and give a simple correlation (a "design map") for the alloying and catalytic behavior. Finally, we provide a universal description of core-shell preference via tight-binding theory (band-energy differences) that (i) quantitatively reproduces the DFT segregation energies and (ii) confirms the electronic origins and correlations for core-shell behavior.

Elastic Properties of Novel Co- and CoNi-Based Superalloys Determined through Bayesian Inference and Resonant Ultrasound Spectroscopy

NASA Astrophysics Data System (ADS)

Goodlet, Brent R.; Mills, Leah; Bales, Ben; Charpagne, Marie-Agathe; Murray, Sean P.; Lenthe, William C.; Petzold, Linda; Pollock, Tresa M.

2018-06-01

Bayesian inference is employed to precisely evaluate single crystal elastic properties of novel γ -γ ' Co- and CoNi-based superalloys from simple and non-destructive resonant ultrasound spectroscopy (RUS) measurements. Nine alloys from three Co-, CoNi-, and Ni-based alloy classes were evaluated in the fully aged condition, with one alloy per class also evaluated in the solution heat-treated condition. Comparisons are made between the elastic properties of the three alloy classes and among the alloys of a single class, with the following trends observed. A monotonic rise in the c_{44} (shear) elastic constant by a total of 12 pct is observed between the three alloy classes as Co is substituted for Ni. Elastic anisotropy ( A) is also increased, with a large majority of the nearly 13 pct increase occurring after Co becomes the dominant constituent. Together the five CoNi alloys, with Co:Ni ratios from 1:1 to 1.5:1, exhibited remarkably similar properties with an average A 1.8 pct greater than the Ni-based alloy CMSX-4. Custom code demonstrating a substantial advance over previously reported methods for RUS inversion is also reported here for the first time. CmdStan-RUS is built upon the open-source probabilistic programing language of Stan and formulates the inverse problem using Bayesian methods. Bayesian posterior distributions are efficiently computed with Hamiltonian Monte Carlo (HMC), while initial parameterization is randomly generated from weakly informative prior distributions. Remarkably robust convergence behavior is demonstrated across multiple independent HMC chains in spite of initial parameterization often very far from actual parameter values. Experimental procedures are substantially simplified by allowing any arbitrary misorientation between the specimen and crystal axes, as elastic properties and misorientation are estimated simultaneously.

Adsorption of methanol, ethanol and water on well-characterized PtSn surface alloys

NASA Astrophysics Data System (ADS)

Panja, Chameli; Saliba, Najat; Koel, Bruce E.

1998-01-01

Adsorption and desorption of methanol (CH 3OH), ethanol (C 2H 5OH) and water on Pt(111) and two, ordered, PtSn alloys has been studied primarily using temperature-programmed desorption (TPD) mass spectroscopy. The two alloys studied were the {p(2 × 2) Sn}/{Pt(111) } and (√3 × √3) R30° {Sn}/{Pt(111) } surface alloys prepared by vapor deposition of Sn on Pt(111), with θSn = 0.25 and 0.33, respectively. All three molecules are weakly bonded and reversibly adsorbed under UHV conditions on all three surfaces, molecularly desorbing during TPD without any decomposition. The two PtSn surface alloys were found to chemisorb both methanol and ethanol slightly more weakly than on the Pt(111) surface. The desorption activation energies measured by TPD, and hence the adsorption energies, of both methanol and ethanol progressively decrease as the surface concentration of Sn increases, compared with Pt(111). The decreased binding energy leads one to expect a lower reactivity for these alcohols on the two alloys. The sticking coefficients and the monolayer coverages of these alcohols on the two alloys were identical to that on Pt(111) at 100 K, independent of the amount of Sn present in the surface layer. Alloying Sn in Pt(111) also slightly weakens the adsorption energy of water. Water clusters are formed even at low coverages on all three surfaces, eventually forming a water bilayer prior to the formation of a condensed ice phase. These results are relevant to a molecular-level explanation for the reactivity of Sn-promoted Pt surfaces that have been used in the electro-oxidation of simple organic molecules.

The time and temperature dependence of the thermoelectric properties of silicon-germanium alloy

NASA Technical Reports Server (NTRS)

Raag, V.

1975-01-01

Experimental data on the electrical resistivity and Seebeck coefficient of n-type and p-type silicon-germanium alloys are analyzed in terms of a solid-state dopant precipitation model proposed by Lifshitz and Slyozov (1961). Experimental findings on the time and temperature dependence of the thermal conductivity of these two types of alloy indicate that the thermal conductivity of silicon-germanium alloys changes with time, contrary to previous hypothesis. A preliminary model is presented which stipulates that the observed thermal conductivity decrease in silicon-germanium alloys is due partly to dopant precipitation underlying the electrical property changes and partly to enhanced alloying of the material. It is significant that all three properties asymptotically approach equilibrium values with time. Total characterization of these properties will enable the time change to be fully compensated in the design of a thermoelectric device employing silicon-germanium alloys.

Thermoelectric properties of 80 a/o Si-20 a/o Ge alloy

NASA Technical Reports Server (NTRS)

Raag, V.

1974-01-01

This paper discusses the time and temperature dependence of the thermoelectric properties of n- and p-type 80 at. % Si-20 at. % Ge alloy. It is shown that the time-temperature behavior of the properties of both polarity types of this alloy can be described by means of a diffusion-limited dopant precipitation model due to Lifshitz and Slyozov (1961). An experimental program for the determination of the long-term behavior of the properties of the alloy is described in terms of the Lifshitz-Slyozov model, and the thermoelectric properties of the alloy are given for temperatures in the range from room temperature to 1000 C as a function of time up to and including twelve years. The data given for the p-type alloy represent the first time-dependent thermoelectric property data ever published for the p-type silicon-germanium alloys.

Atomic scale modelling of hexagonal structured metallic fission product alloys

PubMed Central

Middleburgh, S. C.; King, D. M.; Lumpkin, G. R.

2015-01-01

Noble metal particles in the Mo-Pd-Rh-Ru-Tc system have been simulated on the atomic scale using density functional theory techniques for the first time. The composition and behaviour of the epsilon phases are consistent with high-entropy alloys (or multi-principal component alloys)—making the epsilon phase the only hexagonally close packed high-entropy alloy currently described. Configurational entropy effects were considered to predict the stability of the alloys with increasing temperatures. The variation of Mo content was modelled to understand the change in alloy structure and behaviour with fuel burnup (Mo molar content decreases in these alloys as burnup increases). The predicted structures compare extremely well with experimentally ascertained values. Vacancy formation energies and the behaviour of extrinsic defects (including iodine and xenon) in the epsilon phase were also investigated to further understand the impact that the metallic precipitates have on fuel performance. PMID:26064629

Magnetic cluster expansion simulation and experimental study of high temperature magnetic properties of Fe-Cr alloys.

PubMed

Lavrentiev, M Yu; Mergia, K; Gjoka, M; Nguyen-Manh, D; Apostolopoulos, G; Dudarev, S L

2012-08-15

We present a combined experimental and computational study of high temperature magnetic properties of Fe-Cr alloys with chromium content up to about 20 at.%. The magnetic cluster expansion method is applied to model the magnetic properties of random Fe-Cr alloys, and in particular the Curie transition temperature, as a function of alloy composition. We find that at low (3-6 at.%) Cr content the Curie temperature increases with the increase of Cr concentration. It is maximum at approximately 6 at.% Cr and then decreases for higher Cr content. The same feature is found in thermo-magnetic measurements performed on model Fe-Cr alloys, where a 5 at.% Cr alloy has a higher Curie temperature than pure Fe. The Curie temperatures of 10 and 15 at.% Cr alloys are found to be lower than the Curie temperature of pure Fe.

Microstructural-Scale Model for Surfaces Spreading of Intergranular Corrosion in Sensitized Stainless Steels and Aluminum-Magnesium (AA5XXX) Alloys

NASA Astrophysics Data System (ADS)

Jain, Swati

Components from AA5XXX (Al-Mg alloys with more than 3 wt% Mg) alloys are X attractive due to availability of low cost, high strength to weight ratio and good weldability. Therefore, these alloys have potential applications in Naval ships. However, these alloys become susceptible to IGC (intergranular corrosion) due to beta-phase precipitation due to improper heat treatment or inadvertent thermal exposure. Stainless steels may also become susceptible due to carbide precipitation and chromium depletion on grain boundaries. IGC susceptibility depends on the interplay between the metallurgical conditions, electrochemical conditions, and chemical conditions. Specific combinations cause IGC while others do not. The objective of this study is to investigate the conditions which bring about surface spreading of IGC in these alloy classes. To accomplish this goal, a microstructure scale model was developed with experimental inputs to understand the 2-D IGC spreading in stainless steels and AA5XXX alloys. The conditions strongly affecting IGC spreading were elucidated. Upon natural and artificial aging, the stainless steels become susceptible to intergranular corrosion because of chromium depletion in the grain boundaries. After aging Al-Mg (AA5XXX) alloys show susceptibility due to the precipitation of the beta-phase (Al3Mg7) in the grain boundaries. Chromium depleted grain boundaries in stainless steels are anodically more active as compared to the interior of the grains. (3-phase rich grain boundaries have lower OCP (open circuit potential) and pitting potentials as compared to the Al-Mg solid solutions. A new approach to modeling the IGC surface spreading in polycrystalline materials that is presented. This model is the first to couple several factors into one granular scale model that illustrates the way in which they interact and IGC occurs. It sheds new information on conditions which cause IGC spreading in two alloy classes and describes a new theory for the critical potential associated with IGC. The outcomes from this contribute to ways to advance the goal of corrosion resistant computational design of alloys, guiding mitigation strategies for suppressing IGC in existing alloys, and to damage prognosis aimed at predicting damage and structural integrity.

Life prediction and constitutive models for engine hot section anisotropic materials program

NASA Technical Reports Server (NTRS)

Swanson, G. A.; Linask, I.; Nissley, D. M.; Norris, P. P.; Meyer, T. G.; Walker, K. P.

1986-01-01

This report presents the results of the first year of a program designed to develop life prediction and constitutive models for two coated single crystal alloys used in gas turbine airfoils. The two alloys are PWA 1480 and Alloy 185. The two oxidation resistant coatings are PWA 273, an aluminide coating, and PWA 286, an overlay NiCoCrAlY coating. To obtain constitutive and/or fatigue data, tests were conducted on coated and uncoated PWA 1480 specimens tensilely loaded in the 100 , 110 , 111 , and 123 directions. A literature survey of constitutive models was completed for both single crystal alloys and metallic coating materials; candidate models were selected. One constitutive model under consideration for single crystal alloys applies Walker's micromechanical viscoplastic formulation to all slip systems participating in the single crystal deformation. The constitutive models for the overlay coating correlate the viscoplastic data well. For the aluminide coating, a unique test method is under development. LCF and TMF tests are underway. The two coatings caused a significant drop in fatigue life, and each produced a much different failure mechanism.

Cobalt: A vital element in the aircraft engine industry

NASA Technical Reports Server (NTRS)

Stephens, J. R.

1981-01-01

Recent trends in the United States consumption of cobalt indicate that superalloys for aircraft engine manufacture require increasing amounts of this strategic element. Superalloys consume a lion's share of total U.S. cobalt usage which was about 16 million pounds in 1980. In excess of 90 percent of the cobalt used in this country was imported, principally from the African countries of Zaire and Zambia. Early studies on the roles of cobalt as an alloying element in high temperature alloys concentrated on the simple Ni-Cr and Nimonic alloy series. The role of cobalt in current complex nickel base superalloys is not well defined and indeed, the need for the high concentration of cobalt in widely used nickel base superalloys is not firmly established. The current cobalt situation is reviewed as it applies to superalloys and the opportunities for research to reduce the consumption of cobalt in the aircraft engine industry are described.

CAN HANDLING FIXTURES

DOEpatents

Kelman, Ler.R.; Yaggee, F.L.

1958-08-01

A sleeveless cauning apparatus is described for bonding and canning uranium fuel elements under the surface of a liquid bonding alloy. The can is supported on a pedestal by vertical pegs, and an adjustable collar is placed around the upper, open end of the can, which preferably is flared to assure accurate centering in the fixture and to guide the uranium slug into the can. The fixture with a can in place is then immersed in a liquid aluminum-silicon alloy and the can becomes filled with the liquid alloy. The slug is inserted by a slug guide located vertically above the can opening. The slug settles by gravity into the can, after which a cap is emplaced. A quenching tool lifts the capped can out of the bath by means of a slot provided for it in the pedestal. This apparatus provides a simple means of canning the slug without danger of injury to the uranium metal or the aluminum can.

Combined electron beam imaging and ab initio modeling of T1 precipitates in Al-Li-Cu alloys

NASA Astrophysics Data System (ADS)

Dwyer, C.; Weyland, M.; Chang, L. Y.; Muddle, B. C.

2011-05-01

Among the many considerable challenges faced in developing a rational basis for advanced alloy design, establishing accurate atomistic models is one of the most fundamental. Here we demonstrate how advanced imaging techniques in a double-aberration-corrected transmission electron microscope, combined with ab initio modeling, have been used to determine the atomic structure of embedded 1 nm thick T1 precipitates in precipitation-hardened Al-Li-Cu aerospace alloys. The results provide an accurate determination of the controversial T1 structure, and demonstrate how next-generation techniques permit the characterization of embedded nanostructures in alloys and other nanostructured materials.

Experimental Parametric Model for Indirect Adhesion Wear Measurement in the Dry Turning of UNS A97075 (Al-Zn) Alloy

PubMed Central

Trujillo, Francisco Javier; Sevilla, Lorenzo; Marcos, Mariano

2017-01-01

In this work, the study of the influence of cutting parameters (cutting speed, feed, and depth of cut) on the tool wear used in in the dry turning of cylindrical bars of the UNS A97075 (Al-Zn) alloy, has been analyzed. In addition, a study of the physicochemical mechanisms of the secondary adhesion wear has been carried out. The behavior of this alloy, from the point of view of tool wear, has been compared to similar aeronautical aluminum alloys, such as the UNS A92024 (Al-Cu) alloy and UNS A97050 (Al-Zn) alloy. Furthermore, a first approach to the measurement of the 2D surface of the adhered material on the rake face of the tool has been conducted. Finally, a parametric model has been developed from the experimental results. This model allows predicting the intensity of the secondary adhesion wear as a function of the cutting parameters applied. PMID:28772510

Modeling creep deformation of a two-phase TiAI/Ti3Al alloy with a lamellar microstructure

NASA Astrophysics Data System (ADS)

Bartholomeusz, Michael F.; Wert, John A.

1994-10-01

A two-phase TiAl/Ti3Al alloy with a lamellar microstructure has been previously shown to exhibit a lower minimum creep rate than the minimum creep rates of the constituent TiAl and Ti3Al single-phase alloys. Fiducial-line experiments described in the present article demonstrate that the creep rates of the constituent phases within the two-phase TiAl/Ti3Al lamellar alloy tested in compression are more than an order of magnitude lower than the creep rates of single-phase TiAl and Ti3Al alloys tested in compression at the same stress and temperature. Additionally, the fiducial-line experiments show that no interfacial sliding of the phases in the TiAl/Ti3Al lamellar alloy occurs during creep. The lower creep rate of the lamellar alloy is attributed to enhanced hardening of the constituent phases within the lamellar microstructure. A composite-strength model has been formulated to predict the creep rate of the lamellar alloy, taking into account the lower creep rates of the constituent phases within the lamellar micro-structure. Application of the model yields a very good correlation between predicted and experimentally observed minimum creep rates over moderate stress and temperature ranges.

Electrochemical Corrosion Studies for Modeling Metallic Waste Form Release Rates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poineau, Frederic; Tamalis, Dimitri

The isotope 99Tc is an important fission product generated from nuclear power production. Because of its long half-life (t 1/2 = 2.13 ∙ 10 5 years) and beta-radiotoxicity (β⁻ = 292 keV), it is a major concern in the long-term management of spent nuclear fuel. In the spent nuclear fuel, Tc is present as an alloy with Mo, Ru, Rh, and Pd called the epsilon-phase, the relative amount of which increases with fuel burn-up. In some separation schemes for spent nuclear fuel, Tc would be separated from the spent fuel and disposed of in a durable waste form. Technetium wastemore » forms under consideration include metallic alloys, oxide ceramics and borosilicate glass. In the development of a metallic waste form, after separation from the spent fuel, Tc would be converted to the metal, incorporated into an alloy and the resulting waste form stored in a repository. Metallic alloys under consideration include Tc–Zr alloys, Tc–stainless steel alloys and Tc–Inconel alloys (Inconel is an alloy of Ni, Cr and iron which is resistant to corrosion). To predict the long-term behavior of the metallic Tc waste form, understanding the corrosion properties of Tc metal and Tc alloys in various chemical environments is needed, but efforts to model the behavior of Tc metallic alloys are limited. One parameter that should also be considered in predicting the long-term behavior of the Tc waste form is the ingrowth of stable Ru that occurs from the radioactive decay of 99Tc ( 99Tc → 99Ru + β⁻). After a geological period of time, significant amounts of Ru will be present in the Tc and may affect its corrosion properties. Studying the effect of Ru on the corrosion behavior of Tc is also of importance. In this context, we studied the electrochemical behavior of Tc metal, Tc-Ni alloys (to model Tc-Inconel alloy) and Tc-Ru alloys in acidic media. The study of Tc-U alloys has also been performed in order to better understand the nature of Tc in metallic spent fuel. Computational modeling and simulations were performed to shed light on experimental results and explain structural and kinetics trends.« less

Electrodeposition of Sn-Ni Alloy Coatings for Water-Splitting Application from Alkaline Medium

NASA Astrophysics Data System (ADS)

Shetty, Sandhya; Hegde, A. Chitharanjan

2017-02-01

In this work, Sn-Ni alloy coatings were developed onto the surface of copper from a newly formulated electrolytic bath by a simple and cost-effective electrodeposition technique using gelatin as an additive. The electrocatalytic behavior of coatings deposited at different current densities (c.d.'s) for water-splitting applications, in terms of hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), has been researched. The experimental results showed that the electrocatalytic activity of Sn-Ni coatings has a close relationship with its composition, surface morphology, and phase structure depending on the c.d. used, supported by scanning electron microscopy (SEM-EDX) and X-ray diffraction (XRD) analyses. Cyclic voltammetry and chronopotentiometry techniques have demonstrated that Sn-Ni alloy deposited at 4.0 A dm-2 (having 37.6 wt pct Ni) and 1.0 A dm-2 (having 19.6 wt pct Ni) exhibit, respectively, the highest electrocatalytic behavior for HER and OER in 1.0-M KOH solution. Sn-Ni alloy coatings were found to be stable under working conditions of electrolysis, confirmed by electrochemical corrosion tests. High electrocatalytic activity of Sn-Ni alloy coatings for both HER and OER is specific to their composition, surface morphology, and active surface area.

Gettering in multicrystalline silicon: A design-of-experiments approach

NASA Astrophysics Data System (ADS)

Schubert, W. K.

1994-12-01

Design-of-experiment methods were used to study gettering due to phosphorus diffusion and aluminum alloying in four industrial multicrystalline silicon materials: Silicon-Film material from AstroPower, heat-exchanger method (HEM) material from Crystal Systems, edge-defined film-fed growth (EFG) material from Mobil Solar, and cast material from Solarex. Time and temperature for the diffusion and alloy processes were chosen for a four-factor quadratic interaction experiment. Simple diagnostic devices were used to evaluate the gettering. Only EFG and HEM materials exhibited statistically significant gettering effects within the ranges used for the various parameters. Diffusion and alloying temperature were significant for HEM material; also there was a second-order interaction between the diffusion time and temperature. There was no interaction between the diffusion and alloying processes in HEM material. EFG material showed a first-order dependence on diffusion temperature and a second-order interaction between the diffusion temperature and the alloying time. Gettering recommendations for the HEM material were used to produce the best-yet Sandia cells on this material, but correlation with the gettering experiment was not strong. Some of the discrepancy arises from necessary processing differences between the diagnostic devices and regular solar cells. This issue and other lessons learned concerning this type of experiment are discussed.

Oxidation behavior and electrical property of ferritic stainless steel interconnects with a Cr-La alloying layer by high-energy micro-arc alloying process

NASA Astrophysics Data System (ADS)

Feng, Z. J.; Zeng, C. L.

Chromium volatility, poisoning of the cathode material and rapidly decreasing electrical conductivity are the major problems associated with the application of ferritic stainless steel interconnects of solid oxide fuel cells operated at intermediate temperatures. Recently, a novel and simple high-energy micro-arc alloying (HEMAA) process is proposed to prepare LaCrO 3-based coatings for the type 430 stainless steel interconnects using a LaCrO 3-Ni rod as deposition electrode. In this work, a Cr-La alloying layer is firstly obtained on the alloy surface by HEMAA using Cr and La as deposition electrode, respectively, followed by oxidation treatment at 850 °C in air to form a thermally grown LaCrO 3 coating. With the formation of a protective scale composed of a thick LaCrO 3 outer layer incorporated with small amounts of Cr-rich oxides and a thin Cr 2O 3-rich sub-layer, the oxidation rate of the coated steel is reduced remarkably. A low and stable electrical contact resistance is achieved with the application of LaCrO 3-based coatings, with a value less than 40 mΩ cm 2 during exposure at 850 °C in air for up to 500 h.

Extended vapor-liquid-solid growth of silicon carbide nanowires.

PubMed

Rajesh, John Anthuvan; Pandurangan, Arumugam

2014-04-01

We developed an alloy catalytic method to explain extended vapor-liquid-solid (VLS) growth of silicon carbide nanowires (SiC NWs) by a simple thermal evaporation of silicon and activated carbon mixture using lanthanum nickel (LaNi5) alloy as catalyst in a chemical vapor deposition process. The LaNi5 alloy binary phase diagram and the phase relationships in the La-Ni-Si ternary system were play a key role to determine the growth parameters in this VLS mechanism. Different reaction temperatures (1300, 1350 and 1400 degrees C) were applied to prove the established growth process by experimentally. Scanning electron microscopy and transmission electron microscopy studies show that the crystalline quality of the SiC NWs increases with the temperature at which they have been synthesized. La-Ni alloyed catalyst particles observed on the top of the SiC NWs confirms that the growth process follows this extended VLS mechanism. The X-ray diffraction and confocal Raman spectroscopy analyses demonstrate that the crystalline structure of the SiC NWs was zinc blende 3C-SiC. Optical property of the SiC NWs was investigated by photoluminescence technique at room temperature. Such a new alloy catalytic method may be extended to synthesis other one-dimensional nanostructures.

Constitutive modeling and control of 1D smart composite structures

NASA Astrophysics Data System (ADS)

Briggs, Jonathan P.; Ostrowski, James P.; Ponte-Castaneda, Pedro

1998-07-01

Homogenization techniques for determining effective properties of composite materials may provide advantages for control of stiffness and strain in systems using hysteretic smart actuators embedded in a soft matrix. In this paper, a homogenized model of a 1D composite structure comprised of shape memory alloys and a rubber-like matrix is presented. With proportional and proportional/integral feedback, using current as the input state and global strain as an error state, implementation scenarios include the use of tractions on the boundaries and a nonlinear constitutive law for the matrix. The result is a simple model which captures the nonlinear behavior of the smart composite material system and is amenable to experiments with various control paradigms. The success of this approach in the context of the 1D model suggests that the homogenization method may prove useful in investigating control of more general smart structures. Applications of such materials could include active rehabilitation aids, e.g. wrist braces, as well as swimming/undulating robots, or adaptive molds for manufacturing processes.

Development of multilayer perceptron networks for isothermal time temperature transformation prediction of U-Mo-X alloys

NASA Astrophysics Data System (ADS)

Johns, Jesse M.; Burkes, Douglas

2017-07-01

In this work, a multilayered perceptron (MLP) network is used to develop predictive isothermal time-temperature-transformation (TTT) models covering a range of U-Mo binary and ternary alloys. The selected ternary alloys for model development are U-Mo-Ru, U-Mo-Nb, U-Mo-Zr, U-Mo-Cr, and U-Mo-Re. These model's ability to predict 'novel' U-Mo alloys is shown quite well despite the discrepancies between literature sources for similar alloys which likely arise from different thermal-mechanical processing conditions. These models are developed with the primary purpose of informing experimental decisions. Additional experimental insight is necessary in order to reduce the number of experiments required to isolate ideal alloys. These models allow test planners to evaluate areas of experimental interest; once initial tests are conducted, the model can be updated and further improve follow-on testing decisions. The model also improves analysis capabilities by reducing the number of data points necessary from any particular test. For example, if one or two isotherms are measured during a test, the model can construct the rest of the TTT curve over a wide range of temperature and time. This modeling capability reduces the cost of experiments while also improving the value of the results from the tests. The reduced costs could result in improved material characterization and therefore improved fundamental understanding of TTT dynamics. As additional understanding of phenomena driving TTTs is acquired, this type of MLP model can be used to populate unknowns (such as material impurity and other thermal mechanical properties) from past literature sources.

Integrated Predictive Tools for Customizing Microstructure and Material Properties of Additively Manufactured Aerospace Components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radhakrishnan, Balasubramaniam; Fattebert, Jean-Luc; Gorti, Sarma B.

Additive Manufacturing (AM) refers to a process by which digital three-dimensional (3-D) design data is converted to build up a component by depositing material layer-by-layer. United Technologies Corporation (UTC) is currently involved in fabrication and certification of several AM aerospace structural components made from aerospace materials. This is accomplished by using optimized process parameters determined through numerous design-of-experiments (DOE)-based studies. Certification of these components is broadly recognized as a significant challenge, with long lead times, very expensive new product development cycles and very high energy consumption. Because of these challenges, United Technologies Research Center (UTRC), together with UTC business unitsmore » have been developing and validating an advanced physics-based process model. The specific goal is to develop a physics-based framework of an AM process and reliably predict fatigue properties of built-up structures as based on detailed solidification microstructures. Microstructures are predicted using process control parameters including energy source power, scan velocity, deposition pattern, and powder properties. The multi-scale multi-physics model requires solution and coupling of governing physics that will allow prediction of the thermal field and enable solution at the microstructural scale. The state-of-the-art approach to solve these problems requires a huge computational framework and this kind of resource is only available within academia and national laboratories. The project utilized the parallel phase-fields codes at Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL), along with the high-performance computing (HPC) capabilities existing at the two labs to demonstrate the simulation of multiple dendrite growth in threedimensions (3-D). The LLNL code AMPE was used to implement the UTRC phase field model that was previously developed for a model binary alloy, and the simulation results were compared against the UTRC simulation results, followed by extension of the UTRC model to simulate multiple dendrite growth in 3-D. The ORNL MEUMAPPS code was used to simulate dendritic growth in a model ternary alloy with the same equilibrium solidification range as the Ni-base alloy 718 using realistic model parameters, including thermodynamic integration with a Calphad based model for the ternary alloy. Implementation of the UTRC model in AMPE met with several numerical and parametric issues that were resolved and good comparison between the simulation results obtained by the two codes was demonstrated for two dimensional (2-D) dendrites. 3-D dendrite growth was then demonstrated with the AMPE code using nondimensional parameters obtained in 2-D simulations. Multiple dendrite growth in 2-D and 3-D were demonstrated using ORNL’s MEUMAPPS code using simple thermal boundary conditions. MEUMAPPS was then modified to incorporate the complex, time-dependent thermal boundary conditions obtained by UTRC’s thermal modeling of single track AM experiments to drive the phase field simulations. The results were in good agreement with UTRC’s experimental measurements.« less

Size, shape, and compositional effects on the order-disorder phase transitions in Au-Cu and Pt-M (M = Fe, Co, and Ni) nanocluster alloys.

PubMed

Kaatz, Forrest H; Bultheel, Adhemar

2018-08-24

Au-Cu and Pt-M (M = Fe, Co, and Ni) nanocluster alloys are currently being investigated world-wide by many researchers for their interesting catalytic and nanophase properties. The low temperature behavior of the phase diagrams is not well understood for alloys with nanometer sizes and shapes. We consider two models for low temperature ordering in the phase diagrams of Au-Cu and Pt-M nanocluster alloys. These models are valid for sizes ∼5 nm and approach bulk values for sizes ∼20 nm. We study the phase transitions in nanoclusters with cubic, octahedral, and cuboctahedral shapes, covering the compositions of interest. These models are based on studying the melting temperatures in nanoclusters using the regular solution, mixing model for alloys. From our data, experiments on nanocubes about 5 nm in size, of stoichiometric AuCu and PtM composition, could help differentiate between the models. Dispersion data shows that for the three shapes considered, octahedra have the highest percentage of surface atoms for the same relative diameter. We summarize the effects of structural ordering on the catalytic activity and suggest a method to avoid sintering during annealing of Pt-M alloys.

Design, processing and characterization of mechanically alloyed galfenol & lightly rare-earth doped FeGa alloys as smart materials for actuators and transducers

NASA Astrophysics Data System (ADS)

Taheri, Parisa

Smart materials find a wide range of application areas due to their varied response to external stimuli. The different areas of application can be in our day to day life, aerospace, civil engineering applications, and mechatronics to name a few. Magnetostrictive materials are a class of smart materials that can convert energy between the magnetic and elastic states. Galfenol is a magnetostrictive alloy comprised primarily of the elements iron (Fe) and gallium (Ga). Galfenol exhibits a unique combination of mechanical and magnetostrictive (magnetic) properties that legacy smart materials do not. Galfenol's ability to function while in tension, mechanical robustness and high Curie temperature (600 °C) is attracting interest for the alloy's use in mechanically harsh and elevated temperature environments. Applications actively being investigated include transducers for down-hole use, next-generation fuel injectors, sensing, and energy harvesting devices. Understanding correlations between microstructure, electronic structure, and functional response is key to developing novel magnetostrictive materials for sensor and actuator technologies. To this end, in the first part of this thesis we report successful fabrication and investigation of magnetic and magnetostrictive properties of mechanically alloyed Fe81Ga19 compounds. For the first time, we could measure magnetostrictive properties of mechanically alloyed FeGa compounds. A maximum saturation magnetostriction of 41 ppm was achieved which is comparable to those measured from polycrystalline FeGa alloys prepared by other processing techniques, namely gas atomization and cold rolling. Overall, this study demonstrates the feasibility of large-scale production of FeGa polycrystalline alloys powders by a simple and cost-effective mechanical alloying technique. In the second part of this work, we report for the first time, experimental results pertaining to successful fabrication and advanced characterization of a series of Er/Gd-doped [110]-textured polycrystalline alloys of nominal composition, Fe83Ga17Erx (0 In the second part of this work, we report for the first time, experimental results pertaining to successful fabrication and advanced characterization of a series of Er/Gd-doped [110]-textured polycrystalline alloys of nominal composition, Fe83Ga 17Erx (0.

Modeling wear of cast Ti alloys.

PubMed

Chan, Kwai S; Koike, Marie; Okabe, Toru

2007-05-01

The wear behavior of Ti-based alloys was analyzed by considering the elastic-plastic fracture of individual alloys in response to the relevant contact stress field. Using the contact stresses as the process driving force, wear was computed as the wear rate or volume loss as a function of hardness and tensile ductility for Ti-based cast alloys containing an alpha, alpha+beta or beta microstructure with or without the intermetallic precipitates. Model predictions indicated that wear of Ti alloys increases with increasing hardness but with decreasing fracture toughness or tensile ductility. The theoretical results are compared with experimental data to elucidate the roles of microstructure in wear and contrasted against those in grindability.

Modeling wear of cast Ti alloys

PubMed Central

Chan, Kwai S.; Koike, Marie; Okabe, Toru

2007-01-01

The wear behavior of Ti-based alloys was analyzed by considering the elastic–plastic fracture of individual alloys in response to the relevant contact stress field. Using the contact stresses as the process driving force, wear was computed as the wear rate or volume loss as a function of hardness and tensile ductility for Ti-based cast alloys containing an α, α+β or β microstructure with or without the intermetallic precipitates. Model predictions indicated that wear of Ti alloys increases with increasing hardness but with decreasing fracture toughness or tensile ductility. The theoretical results are compared with experimental data to elucidate the roles of microstructure in wear and contrasted against those in grindability. PMID:17224314

Assessing Constitutive Models for Prediction of High-Temperature Flow Behavior with a Perspective of Alloy Development

NASA Astrophysics Data System (ADS)

Kumar, Santosh; Aashranth, B.; Davinci, M. Arvinth; Samantaray, Dipti; Borah, Utpal; Bhaduri, A. K.

2018-02-01

The utility of different constitutive models describing high-temperature flow behavior has been evaluated from the perspective of alloy development. Strain compensated Arrhenius model, modified Johnson-Cook (MJC) model, model D8A and artificial neural network (ANN) have been used to describe flow behavior of different model alloys. These alloys are four grades of SS 316LN with different nitrogen contents ranging from 0.07 to 0.22%. Grades with 0.07%N and 0.22%N have been used to determine suitable material constants of the constitutive equations and also to train the ANN model. While the ANN model has been developed with chemical composition as a direct input, the MJC and D8A models have been amended to incorporate the effect of nitrogen content on flow behavior. The prediction capabilities of all models have been validated using the experimental data obtained from grades containing 0.11%N and 0.14%N. The comparative analysis demonstrates that `N-amended D8A' and `N-amended MJC' are preferable to the ANN model for predicting flow behavior of different grades of 316LN. The work provides detailed insights into the usual statistical error analysis technique and frames five additional criteria which must be considered when a model is analyzed from the perspective of alloy development.

Modeling the elastic energy of alloys: Potential pitfalls of continuum treatments.

PubMed

Baskaran, Arvind; Ratsch, Christian; Smereka, Peter

2015-12-01

Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density-functional calculations. The Keating model is a simplified atomistic formulation based on modeling elastic interactions of a binary alloy with harmonic springs whose equilibrium length is species dependent. It is demonstrated that the continuum limit for the strain field are the usual equations of linear elasticity for alloys and that they correctly capture the coarse-grained behavior of the displacement field. In addition, it is established that Euler-Lagrange equation of the continuum limit of the elastic energy will yield the same strain field equation. This is the same energy functional that is often used to model elastic effects in binary alloys. However, a direct calculation of the elastic energy atomistic model reveals that the continuum expression for the elastic energy is both qualitatively and quantitatively incorrect. This is because it does not take atomistic scale compositional nonuniformity into account. Importantly, this result also shows that finely mixed alloys tend to have more elastic energy than segregated systems, which is the exact opposite of predictions made by some continuum theories. It is also shown that for strained thin films the traditionally used effective misfit for alloys systematically underestimate the strain energy. In some models, this drawback is handled by including an elastic contribution to the enthalpy of mixing, which is characterized in terms of the continuum concentration. The direct calculation of the atomistic model reveals that this approach suffers serious difficulties. It is demonstrated that elastic contribution to the enthalpy of mixing is nonisotropic and scale dependent. It is also shown that such effects are present in density-functional theory calculations for the Si-Ge system. This work demonstrates that it is critical to include the microscopic arrangements in any elastic model to achieve even qualitatively correct behavior.

Study of Tool Wear Mechanisms and Mathematical Modeling of Flank Wear During Machining of Ti Alloy (Ti6Al4V)

NASA Astrophysics Data System (ADS)

Chetan; Narasimhulu, A.; Ghosh, S.; Rao, P. V.

2015-07-01

Machinability of titanium is poor due to its low thermal conductivity and high chemical affinity. Lower thermal conductivity of titanium alloy is undesirable on the part of cutting tool causing extensive tool wear. The main task of this work is to predict the various wear mechanisms involved during machining of Ti alloy (Ti6Al4V) and to formulate an analytical mathematical tool wear model for the same. It has been found from various experiments that adhesive and diffusion wear are the dominating wear during machining of Ti alloy with PVD coated tungsten carbide tool. It is also clear from the experiments that the tool wear increases with the increase in cutting parameters like speed, feed and depth of cut. The wear model was validated by carrying out dry machining of Ti alloy at suitable cutting conditions. It has been found that the wear model is able to predict the flank wear suitably under gentle cutting conditions.

Role of oxygen diffusion at Ni/Cr2O3 interface in intergranular oxidation of Ni-Cr alloy

NASA Astrophysics Data System (ADS)

Medasani, Bharat; Sushko, Maria; Schreiber, Daniel; Rosso, Kevin; Bruemmer, Stephen

Certain Ni-Cr alloys used in nuclear systems experience intergranular oxidation and stress corrosion cracking when exposed to high-temperature water leading to their degradation and unexpected failure. To develop a mechanistic understanding of grain boundary oxidation processes, we proposed a mesoscale metal alloy oxidation model that combines quantum Density Functional Theory (DFT) with mesoscopic Poisson-Nernst-Planck/classical DFT. This framework encompasses the chemical specificity of elementary diffusion processes and mesoscale reactive dynamics, and allows modeling oxidation processes on experimentally relevant length scales from first principles. As a proof of concept, a preliminary model was previously employed that limited oxygen diffusion pathways to those through the oxide phase and did not allow oxygen diffusion in the alloy or across oxide/alloy interfaces. In this work, we expand the model to include oxygen diffusion pathways along Ni/Cr2O3 interfaces and demonstrate the increasing importance of such pathways for intergranular oxidation of Ni-Cr alloys with high Cr content. This work is supported by the U.S. Dept. of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Simulations are performed using PNNL Institutional Computing facility.

On Using Homogeneous Polynomials To Design Anisotropic Yield Functions With Tension/Compression Symmetry/Assymetry

NASA Astrophysics Data System (ADS)

Soare, S.; Yoon, J. W.; Cazacu, O.

2007-05-01

With few exceptions, non-quadratic homogeneous polynomials have received little attention as possible candidates for yield functions. One reason might be that not every such polynomial is a convex function. In this paper we show that homogeneous polynomials can be used to develop powerful anisotropic yield criteria, and that imposing simple constraints on the identification process leads, aposteriori, to the desired convexity property. It is shown that combinations of such polynomials allow for modeling yielding properties of metallic materials with any crystal structure, i.e. both cubic and hexagonal which display strength differential effects. Extensions of the proposed criteria to 3D stress states are also presented. We apply these criteria to the description of the aluminum alloy AA2090T3. We prove that a sixth order orthotropic homogeneous polynomial is capable of a satisfactory description of this alloy. Next, applications to the deep drawing of a cylindrical cup are presented. The newly proposed criteria were implemented as UMAT subroutines into the commercial FE code ABAQUS. We were able to predict six ears on the AA2090T3 cup's profile. Finally, we show that a tension/compression asymmetry in yielding can have an important effect on the earing profile.

Applications of Computer Simulation Methods in Plastic Forming Technologies for Magnesium Alloys

NASA Astrophysics Data System (ADS)

Zhang, S. H.; Zheng, W. T.; Shang, Y. L.; Wu, X.; Palumbo, G.; Tricarico, L.

2007-05-01

Applications of computer simulation methods in plastic forming of magnesium alloy parts are discussed. As magnesium alloys possess very poor plastic formability at room temperature, various methods have been tried to improve the formability, for example, suitable rolling process and annealing procedures should be found to produce qualified magnesium alloy sheets, which have the reduced anisotropy and improved formability. The blank can be heated to a warm temperature or a hot temperature; a suitable temperature field is designed, tools should be heated or the punch should be cooled; suitable deformation speed should be found to ensure suitable strain rate range. Damage theory considering non-isothermal forming is established. Various modeling methods have been tried to consider above situations. The following situations for modeling the forming process of magnesium alloy sheets and tubes are dealt with: (1) modeling for predicting wrinkling and anisotropy of sheet warm forming; (2) damage theory used for predicting ruptures in sheet warm forming; (3) modeling for optimizing of blank shape and dimensions for sheet warm forming; (4) modeling in non-steady-state creep in hot metal gas forming of AZ31 tubes.

Modeling Thin Film Oxide Growth

NASA Astrophysics Data System (ADS)

Sherman, Quentin

Thin film oxidation is investigated using two modeling techniques in the interest of better understanding the roles of space charge and non-equilibrium effects. An electrochemical phase-field model of an oxide-metal interface is formulated in one dimension and studied at equilibrium and during growth. An analogous sharp interface model is developed to validate the phase-field model in the thick film limit. Electrochemical profiles across the oxide are shown to deviate from the sharp interface prediction when the oxide film is thin compared to the Debye length, however no effect on the oxidation kinetics is found. This is attributed to the simple thermodynamic and kinetic models used therein. The phase-field model provides a framework onto to which additional physics can be added to better model thin film oxidation. A model for solute trapping during the oxidation of binary alloys is developed to study non-equilibrium effects during the early stages of oxide growth. The model is applied to NiCr alloys, and steady-state interfacial composition maps are presented for the growth of an oxide with the rock salt structure. No detailed experimental data is available to verify the predictions of the solute trapping model, however it is shown to be consistent with the trends observed during the early stages of NiCr oxidation. Lastly, experimental studies of the wet infiltration technique for decorating solid oxide fuel cell anodes with nickel nanoparticles are presented. The effect of nickel nitrate calcination parameters on the resulting nickel oxide microstructures are studied on both porous and planar substrates. Decreasing the calcination temperature and dwell time, as well as a dehydration step after nickel nitrate infiltration, are all shown to decrease the initial nickel oxide particle size, but other factors such as geometry and nickel loading per unit area also affected the final nickel particle size and morphology upon reduction.

Characterization of mechanical properties of pseudoelastic shape memory alloys under harmonic excitation

NASA Astrophysics Data System (ADS)

Böttcher, J.; Jahn, M.; Tatzko, S.

2017-12-01

Pseudoelastic shape memory alloys exhibit a stress-induced phase transformation which leads to high strains during deformation of the material. The stress-strain characteristic during this thermomechanical process is hysteretic and results in the conversion of mechanical energy into thermal energy. This energy conversion allows for the use of shape memory alloys in vibration reduction. For the application of shape memory alloys as vibration damping devices a dynamic modeling of the material behavior is necessary. In this context experimentally determined material parameters which accurately represent the material behavior are essential for a reliable material model. Subject of this publication is the declaration of suitable material parameters for pseudoelastic shape memory alloys and the methodology of their identification from experimental investigations. The used test rig was specifically designed for the characterization of pseudoelastic shape memory alloys.

Efficient Ab initio Modeling of Random Multicomponent Alloys

DOE PAGES

Jiang, Chao; Uberuaga, Blas P.

2016-03-08

Here, we present in this Letter a novel small set of ordered structures (SSOS) method that allows extremely efficient ab initio modeling of random multi-component alloys. Using inverse II-III spinel oxides and equiatomic quinary bcc (so-called high entropy) alloys as examples, we also demonstrate that a SSOS can achieve the same accuracy as a large supercell or a well-converged cluster expansion, but with significantly reduced computational cost. In particular, because of this efficiency, a large number of quinary alloy compositions can be quickly screened, leading to the identification of several new possible high entropy alloy chemistries. Furthermore, the SSOS methodmore » developed here can be broadly useful for the rapid computational design of multi-component materials, especially those with a large number of alloying elements, a challenging problem for other approaches.« less

Electronic structure and glass forming ability in early and late transition metal alloys

NASA Astrophysics Data System (ADS)

Babić, E.; Ristić, R.; Figueroa, I. A.; Pajić, D.; Skoko, Ž.; Zadro, K.

2018-03-01

A correlation between the change in magnetic susceptibility (Δχexp) upon crystallisation of Cu-Zr and Hf metallic glasses (MG) with their glass forming ability (GFA) observed recently, is found to apply to Cu-Ti and Zr-Ni alloys, too. In particular, small Δχexp, which reflects similar electronic structures, ES, of glassy and corresponding crystalline alloys, corresponds to high GFA. Here, we studied Δχexp for five Cu-Ti and four Cu-Zr and Ni-Zr MGs. The fully crystalline final state of all alloys was verified from X-ray diffraction patterns. The variation of GFA with composition in Cu-Ti, Cu-Zr and Cu-Hf MGs was established from the variation of the corresponding critical casting thickness, dc. Due to the absence of data for dc in Ni-Zr MGs their GFA was described using empirical criteria, such as the reduced glass transition temperature. A very good correlation between Δχexp and dc (and/or other criteria for GFA) was observed for all alloys studied. The correlation between the ES and GFA showed up best for Cu-Zr and NiZr2 alloys where direct data for the change in ES (ΔES) upon crystallisation are available. The applicability of the Δχexp (ΔES) criterion for high GFA (which provides a simple way to select the compositions with high GFA) to other metal-metal MGs (including ternary and multicomponent bulk MGs) is briefly discussed.

Al-Cu-Li and Al-Mg-Li alloys: Phase composition, texture, and anisotropy of mechanical properties (Review)

NASA Astrophysics Data System (ADS)

Betsofen, S. Ya.; Antipov, V. V.; Knyazev, M. I.

2016-04-01

The results of studying the phase transformations, the texture formation, and the anisotropy of the mechanical properties in Al-Cu-Li and Al-Mg-Li alloys are generalized. A technique and equations are developed to calculate the amounts of the S1 (Al2MgLi), T1 (Al2CuLi), and δ' (Al3Li) phases. The fraction of the δ' phase in Al-Cu-Li alloys is shown to be significantly higher than in Al-Mg-Li alloys. Therefore, the role of the T1 phase in the hardening of Al-Cu-Li alloys is thought to be overestimated, especially in alloys with more than 1.5% Li. A new model is proposed to describe the hardening of Al-Cu-Li alloys upon aging, and the results obtained with this model agree well with the experimental data. A texture, which is analogous to that in aluminum alloys, is shown to form in sheets semiproducts made of Al-Cu-Li and Al-Mg-Li alloys. The more pronounced anisotropy of the properties of lithium-containing aluminum alloys is caused by a significant fraction of the ordered coherent δ' phase, the deformation mechanism in which differs radically from that in the solid solution.

Computer-Aided Design of Manufacturing Chain Based on Closed Die Forging for Hardly Deformable Cu-Based Alloys

NASA Astrophysics Data System (ADS)

Pietrzyk, Maciej; Kuziak, Roman; Pidvysots'kyy, Valeriy; Nowak, Jarosław; Węglarczyk, Stanisław; Drozdowski, Krzysztof

2013-07-01

Two copper-based alloys were considered, Cu-1 pct Cr and Cu-0.7 pct Cr-1 pct Si-2 pct Ni. The thermal, electrical, and mechanical properties of these alloys are given in the paper and compared to pure copper and steel. The role of aging and precipitation kinetics in hardening of the alloys is discussed based upon the developed model. Results of plastometric tests performed at various temperatures and various strain rates are presented. The effect of the initial microstructure on the flow stress was investigated. Rheologic models for the alloys were developed. A finite element (FE) model based on the Norton-Hoff visco-plastic flow rule was applied to the simulation of forging of the alloys. Analysis of the die wear for various processes of hot and cold forging is presented as well. A microstructure evolution model was implemented into the FE code, and the microstructure and mechanical properties of final products were predicted. Various variants of the manufacturing cycles were considered. These include different preheating schedules, hot forging, cold forging, and aging. All variants were simulated using the FE method and loads, die filling, tool wear, and mechanical properties of products were predicted. Three variants giving the best combination of forging parameters were selected and industrial trials were performed. The best manufacturing technology for the copper-based alloys is proposed.

The use of computational thermodynamics for the determination of surface tension and Gibbs-Thomson coefficient of multicomponent alloys

NASA Astrophysics Data System (ADS)

Ferreira, D. J. S.; Bezerra, B. N.; Collyer, M. N.; Garcia, A.; Ferreira, I. L.

2018-04-01

The simulation of casting processes demands accurate information on the thermophysical properties of the alloy; however, such information is scarce in the literature for multicomponent alloys. Generally, metallic alloys applied in industry have more than three solute components. In the present study, a general solution of Butler's formulation for surface tension is presented for multicomponent alloys and is applied in quaternary Al-Cu-Si-Fe alloys, thus permitting the Gibbs-Thomson coefficient to be determined. Such coefficient is a determining factor to the reliability of predictions furnished by microstructure growth models and by numerical computations of solidification thermal parameters, which will depend on the thermophysical properties assumed in the calculations. The Gibbs-Thomson coefficient for ternary and quaternary alloys is seldom reported in the literature. A numerical model based on Powell's hybrid algorithm and a finite difference Jacobian approximation has been coupled to a Thermo-Calc TCAPI interface to assess the excess Gibbs energy of the liquid phase, permitting liquidus temperature, latent heat, alloy density, surface tension and Gibbs-Thomson coefficient for Al-Cu-Si-Fe hypoeutectic alloys to be calculated, as an example of calculation capabilities for multicomponent alloys of the proposed method. The computed results are compared with thermophysical properties of binary Al-Cu and ternary Al-Cu-Si alloys found in the literature and presented as a function of the Cu solute composition.

A model to describe the surface gradient-nanograin formation and property of friction stir processed laser Co-Cr-Ni-Mo alloy

NASA Astrophysics Data System (ADS)

Li, Ruidi; Yuan, Tiechui; Qiu, Zili

2014-07-01

A gradient-nanograin surface layer of Co-base alloy was prepared by friction stir processing (FSP) of laser-clad coating in this work. However, it is lack of a quantitatively function relationship between grain refinement and FSP conditions. Based on this, an analytic model is derived for the correlations between carbide size, hardness and rotary speed, layer depth during in-situ FSP of laser-clad Co-Cr-Ni-Mo alloy. The model is based on the principle of typical plastic flow in friction welding and dynamic recrystallization. The FSP experiment for modification of laser-clad Co-based alloy was conducted and its gradient nanograin and hardness were characterized. It shows that the model is consistent with experimental results.

Combined computational-experimental design of high temperature, high-intensity permanent magnetic alloys with minimal addition of rare-earth elements

NASA Astrophysics Data System (ADS)

Jha, Rajesh

AlNiCo magnets are known for high-temperature stability and superior corrosion resistance and have been widely used for various applications. Reported magnetic energy density ((BH) max) for these magnets is around 10 MGOe. Theoretical calculations show that ((BH) max) of 20 MGOe is achievable which will be helpful in covering the gap between AlNiCo and Rare-Earth Elements (REE) based magnets. An extended family of AlNiCo alloys was studied in this dissertation that consists of eight elements, and hence it is important to determine composition-property relationship between each of the alloying elements and their influence on the bulk properties. In the present research, we proposed a novel approach to efficiently use a set of computational tools based on several concepts of artificial intelligence to address a complex problem of design and optimization of high temperature REE-free magnetic alloys. A multi-dimensional random number generation algorithm was used to generate the initial set of chemical concentrations. These alloys were then examined for phase equilibria and associated magnetic properties as a screening tool to form the initial set of alloy. These alloys were manufactured and tested for desired properties. These properties were fitted with a set of multi-dimensional response surfaces and the most accurate meta-models were chosen for prediction. These properties were simultaneously extremized by utilizing a set of multi-objective optimization algorithm. This provided a set of concentrations of each of the alloying elements for optimized properties. A few of the best predicted Pareto-optimal alloy compositions were then manufactured and tested to evaluate the predicted properties. These alloys were then added to the existing data set and used to improve the accuracy of meta-models. The multi-objective optimizer then used the new meta-models to find a new set of improved Pareto-optimized chemical concentrations. This design cycle was repeated twelve times in this work. Several of these Pareto-optimized alloys outperformed most of the candidate alloys on most of the objectives. Unsupervised learning methods such as Principal Component Analysis (PCA) and Heirarchical Cluster Analysis (HCA) were used to discover various patterns within the dataset. This proves the efficacy of the combined meta-modeling and experimental approach in design optimization of magnetic alloys.

Application of Molecular Interaction Volume Model for Phase Equilibrium of Sn-Based Binary System in Vacuum Distillation

NASA Astrophysics Data System (ADS)

Kong, Lingxin; Yang, Bin; Xu, Baoqiang; Li, Yifu

2014-09-01

Based on the molecular interaction volume model (MIVM), the activities of components of Sn-Sb, Sb-Bi, Sn-Zn, Sn-Cu, and Sn-Ag alloys were predicted. The predicted values are in good agreement with the experimental data, which indicate that the MIVM is of better stability and reliability due to its good physical basis. A significant advantage of the MIVM lies in its ability to predict the thermodynamic properties of liquid alloys using only two parameters. The phase equilibria of Sn-Sb and Sn-Bi alloys were calculated based on the properties of pure components and the activity coefficients, which indicates that Sn-Sb and Sn-Bi alloys can be separated thoroughly by vacuum distillation. This study extends previous investigations and provides an effective and convenient model on which to base refining simulations for Sn-based alloys.

Modeling of microstructure evolution of magnesium alloy during the high pressure die casting process

NASA Astrophysics Data System (ADS)

Wu, Mengwu; Xiong, Shoumei

2012-07-01

Two important microstructure characteristics of high pressure die cast magnesium alloy are the externally solidified crystals (ESCs) and the fully divorced eutectic which form at the filling stage of the shot sleeve and at the last stage of solidification in the die cavity, respectively. Both of them have a significant influence on the mechanical properties and performance of magnesium alloy die castings. In the present paper, a numerical model based on the cellular automaton (CA) method was developed to simulate the microstructure evolution of magnesium alloy during cold-chamber high pressure die casting (HPDC) process. Modeling of dendritic growth of magnesium alloy with six-fold symmetry was achieved by defining a special neighbourhood configuration and calculating of the growth kinetics from complete solution of the transport equations. Special attention was paid to establish a nucleation model considering both of the nucleation of externally solidified crystals in the shot sleeve and the massive nucleation in the die cavity. Meanwhile, simulation of the formation of fully divorced eutectic was also taken into account in the present CA model. Validation was performed and the capability of the present model was addressed by comparing the simulated results with those obtained by experiments.

Understanding the optical properties of ZnO1-xSx and ZnO1-xSex alloys

NASA Astrophysics Data System (ADS)

Baldissera, Gustavo; Persson, Clas

2016-01-01

ZnO1-xYx with chalcogen element Y exhibits intriguing optoelectronic properties as the alloying strongly impacts the band-gap energy Eg(x). In this work, we analyze and compare the electronic structures and the dielectric responses of Zn(O,S) and Zn(O,Se) alloys by means of the density functional theory and the partially self-consistent GW approach. We model the crystalline stability from the total energies, and the results indicate that Zn(O,S) is more stable as alloy than Zn(O,Se). We demonstrate also that ion relaxation strongly affects total energies, and that the band-gap bowing depends primarily on local relaxation of the bonds. Moreover, we show that the composition dependent band-gap needs to be analyzed by the band anti-crossing model for small alloying concentration, while the alloying band-bowing model is accurate for strong alloying. We find that the Se-based alloys have a stronger change in the band-gap energy (for instance, ΔEg(0.50) = Eg(ZnO) - Eg(x = 0.50) ≈ 2.2 eV) compared with that of the S-based alloy (ΔEg(0.50) = 1.2 eV), mainly due to a stronger relaxation of the Zn-anion bonds that affects the electronic structure near the band edges. The optical properties of the alloys are discussed in terms of the complex dielectric function ɛ(ω) = ɛ1(ω) + iɛ2(ω) and the absorption coefficient α(ω). While the large band-gap bowing directly impacts the low-energy absorption spectra, the high-frequency dielectric constant ɛ∞ is correlated to the intensity of the dielectric response at energies above 4 eV. Therefore, the dielectric constant is only weakly affected by the non-linear band-gap variation. Despite strong structural relaxation, the high absorption coefficients of the alloys demonstrate that the alloys have well-behaved optoelectronic properties.

Measurements and Modeling of Stress in Precipitation-Hardened Aluminum Alloy AA2618 during Gleeble Interrupted Quenching and Constrained Cooling

NASA Astrophysics Data System (ADS)

Chobaut, Nicolas; Carron, Denis; Saelzle, Peter; Drezet, Jean-Marie

2016-11-01

Solutionizing and quenching are the key steps in the fabrication of heat-treatable aluminum parts such as AA2618 compressor impellers for turbochargers as they highly impact the mechanical characteristics of the product. In particular, quenching induces residual stresses that can cause unacceptable distortions during machining and unfavorable stresses in service. Predicting and controlling stress generation during quenching of large AA2618 forgings are therefore of particular interest. Since possible precipitation during quenching may affect the local yield strength of the material and thus impact the level of macroscale residual stresses, consideration of this phenomenon is required. A material model accounting for precipitation in a simple but realistic way is presented. Instead of modeling precipitation that occurs during quenching, the model parameters are identified using a limited number of tensile tests achieved after representative interrupted cooling paths in a Gleeble machine. This material model is presented, calibrated, and validated against constrained coolings in a Gleeble blocked-jaws configuration. Applications of this model are FE computations of stress generation during quenching of large AA2618 forgings for compressor impellers.

Deformation behavior of HCP titanium alloy: Experiment and Crystal plasticity modeling

DOE PAGES

Wronski, M.; Arul Kumar, Mariyappan; Capolungo, Laurent; ...

2018-03-02

The deformation behavior of commercially pure titanium is studied using experiments and a crystal plasticity model. Compression tests along the rolling, transverse, and normal-directions, and tensile tests along the rolling and transverse directions are performed at room temperature to study the activation of slip and twinning in the hexagonal closed packed titanium. A detailed EBSD based statistical analysis of the microstructure is performed to develop statistics of both {10-12} tensile and {11-22} compression twins. A simple Monte Carlo (MC) twin variant selection criterion is proposed within the framework of the visco-plastic self-consistent (VPSC) model with a dislocation density (DD) basedmore » law used to describe dislocation hardening. In the model, plasticity is accommodated by prismatic, basal and pyramidal slip modes, and {10-12} tensile and {11-22} compression twinning modes. Thus, the VPSC-MC model successfully captures the experimentally observed activation of low Schmid factor twin variants for both tensile and compression twins modes. The model also predicts macroscopic stress-strain response, texture evolution and twin volume fraction that are in agreement with experimental observations.« less

Deformation behavior of HCP titanium alloy: Experiment and Crystal plasticity modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wronski, M.; Arul Kumar, Mariyappan; Capolungo, Laurent

The deformation behavior of commercially pure titanium is studied using experiments and a crystal plasticity model. Compression tests along the rolling, transverse, and normal-directions, and tensile tests along the rolling and transverse directions are performed at room temperature to study the activation of slip and twinning in the hexagonal closed packed titanium. A detailed EBSD based statistical analysis of the microstructure is performed to develop statistics of both {10-12} tensile and {11-22} compression twins. A simple Monte Carlo (MC) twin variant selection criterion is proposed within the framework of the visco-plastic self-consistent (VPSC) model with a dislocation density (DD) basedmore » law used to describe dislocation hardening. In the model, plasticity is accommodated by prismatic, basal and pyramidal slip modes, and {10-12} tensile and {11-22} compression twinning modes. Thus, the VPSC-MC model successfully captures the experimentally observed activation of low Schmid factor twin variants for both tensile and compression twins modes. The model also predicts macroscopic stress-strain response, texture evolution and twin volume fraction that are in agreement with experimental observations.« less

Ab-Initio Molecular Dynamics Simulations of Molten Ni-Based Superalloys (Preprint)

DTIC Science & Technology

2011-10-01

in liquid–metal density with composition and temperature across the solidification zone. Here, fundamental properties of molten Ni -based alloys ...temperature across the solidification zone. Here, fundamental properties of molten Ni -based alloys , required for modeling these instabilities, are...temperature is assessed in model Ni -Al-W and RENE-N4 alloys . Calculations are performed using a recently implemented constant pressure methodology (NPT) which

Microstructural Characterization of Friction Stir Welded Aluminum-Steel Joints

NASA Astrophysics Data System (ADS)

Patterson, Erin E.; Hovanski, Yuri; Field, David P.

2016-06-01

This work focuses on the microstructural characterization of aluminum to steel friction stir welded joints. Lap weld configuration coupled with scribe technology used for the weld tool have produced joints of adequate quality, despite the significant differences in hardness and melting temperatures of the alloys. Common to friction stir processes, especially those of dissimilar alloys, are microstructural gradients including grain size, crystallographic texture, and precipitation of intermetallic compounds. Because of the significant influence that intermetallic compound formation has on mechanical and ballistic behavior, the characterization of the specific intermetallic phases and the degree to which they are formed in the weld microstructure is critical to predicting weld performance. This study used electron backscatter diffraction, energy dispersive spectroscopy, scanning electron microscopy, and Vickers micro-hardness indentation to explore and characterize the microstructures of lap friction stir welds between an applique 6061-T6 aluminum armor plate alloy and a RHA homogeneous armor plate steel alloy. Macroscopic defects such as micro-cracks were observed in the cross-sectional samples, and binary intermetallic compound layers were found to exist at the aluminum-steel interfaces of the steel particles stirred into the aluminum weld matrix and across the interfaces of the weld joints. Energy dispersive spectroscopy chemical analysis identified the intermetallic layer as monoclinic Al3Fe. Dramatic decreases in grain size in the thermo-mechanically affected zones and weld zones that evidenced grain refinement through plastic deformation and recrystallization. Crystallographic grain orientation and texture were examined using electron backscatter diffraction. Striated regions in the orientations of the aluminum alloy were determined to be the result of the severe deformation induced by the complex weld tool geometry. Many of the textures observed in the weld zone and thermo-mechanically affected zones exhibited shear texture components; however, there were many textures that deviated from ideal simple shear. Factors affecting the microstructure which are characteristic of the friction stir welding process, such as post-recrystallization deformation and complex deformation induced by tool geometry were discussed as causes for deviation from simple shear textures.

CONSTITUTIVE BEHAVIOR OF AS-QUENCHED Al-Cu-Mn ALLOY

NASA Astrophysics Data System (ADS)

Yang, Xia-Wei; Zhu, Jing-Chuan; Nong, Zhi-Sheng; Ye, Mao; Lai, Zhong-Hong; Liu, Yong

2013-07-01

The hot flow stress of as-quenched Al-Cu-Mn alloy was modeled using the constitutive equations. The as-quenched Al-Cu-Mn alloy were treated with isothermal hot compression tests in the temperature range of 350-500°C, the strain rate range of 0.001-1 s-1. The hyperbolic sine equation was found to be appropriate for flow stress modeling and prediction. Based on the hyperbolic sine equation, a constitutive equation is a relation between 0.2 pct yield stress and deformation conditions (strain rate and deformation temperature) was established. The corresponding hot deformation activation energy (Q) for as-quenched Al-Cu-Mn alloy was determined to be 251.314 kJ/mol. Parameters of constitutive equation of as-quenched Al-Cu-Mn alloy were calculated at different small strains (≤ 0.01). The calculated flow stresses from the constitutive equation are in good agreement with the experimental results. Therefore, this constitutive equation can be used as an accurate temperature-stress model to solve the problems of quench distortion of Al-Cu-Mn alloy parts.

An in situ USAXS-SAXS-WAXS study of precipitate size distribution evolution in a model Ni-based alloy.

PubMed

Andrews, Ross N; Serio, Joseph; Muralidharan, Govindarajan; Ilavsky, Jan

2017-06-01

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS-SAXS-WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure during in situ heat treatment. Analysis of PSDs from USAXS-SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoiding a priori definition of a functional form of the PSD. However, strong low- q scattering from grain boundaries and/or structure factor effects inhibit MaxEnt analysis of typical alloys. This work describes the extension of Bayesian-MaxEnt analysis methods to data exhibiting structure factor effects and low- q power law slopes and demonstrates their use in an in situ study of precipitate size evolution during heat treatment of a model Ni-Al-Si alloy.

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andrews, Ross N.; Serio, Joseph A.; Muralidharan, Govindarajan

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure duringin situheat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoidinga prioridefinition of a functional form of the PSD. However, strong low-qscattering from grain boundaries and/or structuremore » factor effects inhibit MaxEnt analysis of typical alloys. Lastly, this work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-qpower law slopes and demonstrates their use in anin situstudy of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy.« less

Study of the effects of implantation on the high Fe-Ni-Cr and Ni-Cr-Al alloys

NASA Technical Reports Server (NTRS)

Ribarsky, M. W.

1985-01-01

A theoretical study of the effects of implantation on the corrosion resistance of Fe-Ni-Cr and Ni-Cr-Al alloys was undertaken. The purpose was to elucidate the process by which corrosion scales form on alloy surfaces. The experiments dealt with Ni implanted with Al, exposed to S at high temperatures, and then analyzed using scanning electron microscopy, scanning Auger spectroscopy and X-ray fluorescence spectroscopy. Pair bonding and tight-binding models were developed to study the compositions of the alloys and as a result, a new surface ordering effect was found which may exist in certain real alloys. With these models, the behavior of alloy constituents in the presence of surface concentrations of O or S was also studied. Improvements of the models to take into account the important effects of long- and short-range ordering were considered. The diffusion kinetics of implant profiles at various temperatures were investigated, and it was found that significant non-equilibrium changes in the profiles can take place which may affect the implants' performance in the presence of surface contaminants.

TA [B] Predicting Microstructure-Creep Resistance Correlation in High Temperature Alloys over Multiple Time Scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tomar, Vikas

2017-03-06

DoE-NETL partnered with Purdue University to predict the creep and associated microstructure evolution of tungsten-based refractory alloys. Researchers use grain boundary (GB) diagrams, a new concept, to establish time-dependent creep resistance and associated microstructure evolution of grain boundaries/intergranular films GB/IGF controlled creep as a function of load, environment, and temperature. The goal was to conduct a systematic study that includes the development of a theoretical framework, multiscale modeling, and experimental validation using W-based body-centered-cubic alloys, doped/alloyed with one or two of the following elements: nickel, palladium, cobalt, iron, and copper—typical refractory alloys. Prior work has already established and validated amore » basic theory for W-based binary and ternary alloys; the study conducted under this project extended this proven work. Based on interface diagrams phase field models were developed to predict long term microstructural evolution. In order to validate the models nanoindentation creep data was used to elucidate the role played by the interface properties in predicting long term creep strength and microstructure evolution.« less

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy

DOE PAGES

Andrews, Ross N.; Serio, Joseph A.; Muralidharan, Govindarajan; ...

2017-05-30

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure duringin situheat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoidinga prioridefinition of a functional form of the PSD. However, strong low-qscattering from grain boundaries and/or structuremore » factor effects inhibit MaxEnt analysis of typical alloys. Lastly, this work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-qpower law slopes and demonstrates their use in anin situstudy of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy.« less

Corrosion Behavior of Alloys in Molten Fluoride Salts

NASA Astrophysics Data System (ADS)

Zheng, Guiqiu

The molten fluoride salt-cooled high-temperature nuclear reactor (FHR) has been proposed as a candidate Generation IV nuclear reactor. This reactor combines the latest nuclear technology with the use of molten fluoride salt as coolant to significantly enhance safety and efficiency. However, an important challenge in FHR development is the corrosion of structural materials in high-temperature molten fluoride salt. The structural alloys' degradation, particularly in terms of chromium depletion, and the molten salt chemistry are key factors that impact the lifetime of nuclear reactors and the development of future FHR designs. In support of materials development for the FHR, the nickel base alloy of Hastelloy N and iron-chromium base alloy 316 stainless steel are being actively considered as critical structural alloys. Enriched 27LiF-BeF2 (named as FLiBe) is a promising coolant for the FHR because of its neutronic properties and heat transfer characteristics while operating at atmospheric pressure. In this study, the corrosion behavior of Ni-5Cr and Ni-20Cr binary model alloys, and Hastelloy N and 316 stainless steel in molten FLiBe with and without graphite were investigated through various microstructural analyses. Based on the understanding of the corrosion behavior and data of above four alloys in molten FLiBe, a long-term corrosion prediction model has been developed that is applicable specifically for these four materials in FLiBe at 700ºC. The model uses Cr concentration profile C(x, t) as a function of corrosion distance in the materials and duration fundamentally derived from the Fick's diffusion laws. This model was validated with reasonable accuracy for the four alloys by fitting the calculated profiles with experimental data and can be applied to evaluate corrosion attack depth over the long-term. The critical constant of the overall diffusion coefficient (Deff) in this model can be quickly calculated from the experimental measurement of alloys' weight loss due to Cr depletion. While many factors affect the Deff such as the grain boundary type, grain size, precipitates, initial Cr concentration as well as temperature, this model provides a methodology for estimating corrosion attack depth of alloys in molten fluoride salts obviating the need for difficult and challenging experiment.

Two-Phase Eutectic Growth in Al-Cu and Al-Cu-Ag

NASA Astrophysics Data System (ADS)

Senninger, Oriane; Peters, Matthew; Voorhees, Peter W.

2018-02-01

The microstructure developed by two-phase lamellar eutectics (α ) -(θ {-Al}2{Cu}) in Al-Cu and Al-Cu-Ag alloys is analyzed. A model of two-phase eutectic growth in multicomponent alloys is used to determine the scaling law of the eutectic microstructure using the alloy thermophysical properties. The application of the model to these alloys shows that the addition of Ag to Al-Cu alloys does not significantly change the length scale of the microstructure, which is in agreement with previous experimental studies. This is explained by the combined phenomena of the decrease in interface energies with the addition of Ag and the superheating of the (α ) phase interface induced by the Ag composition profile.

Dendritic Alloy Solidification Experiment (DASE)

NASA Technical Reports Server (NTRS)

Beckermann, C.; Karma, A.; Steinbach, I.; deGroh, H. C., III

2001-01-01

A space experiment, and supporting ground-based research, is proposed to study the microstructural evolution in free dendritic growth from a supercooled melt of the transparent model alloy succinonitrile-acetone (SCN-ACE). The research is relevant to equiaxed solidification of metal alloy castings. The microgravity experiment will establish a benchmark for testing of equiaxed dendritic growth theories, scaling laws, and models in the presence of purely diffusive, coupled heat and solute transport, without the complicating influences of melt convection. The specific objectives are to: determine the selection of the dendrite tip operating state, i.e. the growth velocity and tip radius, for free dendritic growth of succinonitrile-acetone alloys; determine the growth morphology and sidebranching behavior for freely grown alloy dendrites; determine the effects of the thermal/solutal interactions in the growth of an assemblage of equiaxed alloy crystals; determine the effects of melt convection on the free growth of alloy dendrites; measure the surface tension anisotropy strength of succinon itrile -acetone alloys establish a theoretical and modeling framework for the experiments. Microgravity experiments on equiaxed dendritic growth of alloy dendrites have not been performed in the past. The proposed experiment builds on the Isothermal Dendritic Growth Experiment (IDGE) of Glicksman and coworkers, which focused on the steady growth of a single crystal from pure supercooled melts (succinonitrile and pivalic acid). It also extends the Equiaxed Dendritic Solidification Experiment (EDSE) of the present investigators, which is concerned with the interactions and transients arising in the growth of an assemblage of equiaxed crystals (succinonitrile). However, these experiments with pure substances are not able to address the issues related to coupled heat and solute transport in growth of alloy dendrites.

Solid, liquid, and interfacial properties of TiAl alloys: parameterization of a new modified embedded atom method model

NASA Astrophysics Data System (ADS)

Sun, Shoutian; Ramu Ramachandran, Bala; Wick, Collin D.

2018-02-01

New interatomic potentials for pure Ti and Al, and binary TiAl were developed utilizing the second nearest neighbour modified embedded-atom method (MEAM) formalism. The potentials were parameterized to reproduce multiple properties spanning bulk solids, solid surfaces, solid/liquid phase changes, and liquid interfacial properties. This was carried out using a newly developed optimization procedure that combined the simple minimization of a fitness function with a genetic algorithm to efficiently span the parameter space. The resulting MEAM potentials gave good agreement with experimental and DFT solid and liquid properties, and reproduced the melting points for Ti, Al, and TiAl. However, the surface tensions from the model consistently underestimated experimental values. Liquid TiAl’s surface was found to be mostly covered with Al atoms, showing that Al has a significant propensity for the liquid/air interface.

Solid, liquid, and interfacial properties of TiAl alloys: parameterization of a new modified embedded atom method model.

PubMed

Sun, Shoutian; Ramachandran, Bala Ramu; Wick, Collin D

2018-02-21

New interatomic potentials for pure Ti and Al, and binary TiAl were developed utilizing the second nearest neighbour modified embedded-atom method (MEAM) formalism. The potentials were parameterized to reproduce multiple properties spanning bulk solids, solid surfaces, solid/liquid phase changes, and liquid interfacial properties. This was carried out using a newly developed optimization procedure that combined the simple minimization of a fitness function with a genetic algorithm to efficiently span the parameter space. The resulting MEAM potentials gave good agreement with experimental and DFT solid and liquid properties, and reproduced the melting points for Ti, Al, and TiAl. However, the surface tensions from the model consistently underestimated experimental values. Liquid TiAl's surface was found to be mostly covered with Al atoms, showing that Al has a significant propensity for the liquid/air interface.

On Two-Scale Modelling of Heat and Mass Transfer

NASA Astrophysics Data System (ADS)

Vala, J.; Št'astník, S.

2008-09-01

Modelling of macroscopic behaviour of materials, consisting of several layers or components, whose microscopic (at least stochastic) analysis is available, as well as (more general) simulation of non-local phenomena, complicated coupled processes, etc., requires both deeper understanding of physical principles and development of mathematical theories and software algorithms. Starting from the (relatively simple) example of phase transformation in substitutional alloys, this paper sketches the general formulation of a nonlinear system of partial differential equations of evolution for the heat and mass transfer (useful in mechanical and civil engineering, etc.), corresponding to conservation principles of thermodynamics, both at the micro- and at the macroscopic level, and suggests an algorithm for scale-bridging, based on the robust finite element techniques. Some existence and convergence questions, namely those based on the construction of sequences of Rothe and on the mathematical theory of two-scale convergence, are discussed together with references to useful generalizations, required by new technologies.

Estimation of Transformation Temperatures in Ti-Ni-Pd Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Narayana, P. L.; Kim, Seong-Woong; Hong, Jae-Keun; Reddy, N. S.; Yeom, Jong-Taek

2018-03-01

The present study focused on estimating the complex nonlinear relationship between the composition and phase transformation temperatures of Ti-Ni-Pd shape memory alloys by artificial neural networks (ANN). The ANN models were developed by using the experimental data of Ti-Ni-Pd alloys. It was found that the predictions are in good agreement with the trained and unseen test data of existing alloys. The developed model was able to simulate new virtual alloys to quantitatively estimate the effect of Ti, Ni, and Pd on transformation temperatures. The transformation temperature behavior of these virtual alloys is validated by conducting new experiments on the Ti-rich thin film that was deposited using multi target sputtering equipment. The transformation behavior of the film was measured by varying the composition with the help of aging treatment. The predicted trend of transformational temperatures was explained with the help of experimental results.

Heat storage in alloy transformations

NASA Technical Reports Server (NTRS)

Birchenall, C. E.; Gueceri, S. I.; Farkas, D.; Labdon, M. B.; Nagaswami, N.; Pregger, B.

1981-01-01

The feasibility of using metal alloys as thermal energy storage media was determined. The following major elements were studied: (1) identification of congruently transforming alloys and thermochemical property measurements; (2) development of a precise and convenient method for measuring volume change during phase transformation and thermal expansion coefficients; (3) development of a numerical modeling routine for calculating heat flow in cylindrical heat exchangers containing phase change materials; and (4) identification of materials that could be used to contain the metal alloys. Several eutectic alloys and ternary intermetallic phases were determined. A method employing X-ray absorption techniques was developed to determine the coefficients of thermal expansion of both the solid and liquid phases and the volume change during phase transformation from data obtained during one continuous experimental test. The method and apparatus are discussed and the experimental results are presented. The development of the numerical modeling method is presented and results are discussed for both salt and metal alloy phase change media.

Corrosion protective coating for metallic materials

DOEpatents

Buchheit, Rudolph G.; Martinez, Michael A.

1998-01-01

Corrosion protective coatings for metallic materials, particularly aluminum and aluminum alloys, produced with simple, low-cost equipment and materials other than toxic metals or metal salts, or metal cyanides. The metallic material is cleaned, degreased, and deoxidized, the surface is converted to a substantially alkaline condition, and the surface is chemically sealed with inorganic metal compounds.

Low carbon steel: Metallurgical structure vs. mechanical properties

NASA Technical Reports Server (NTRS)

Shull, Robert D.

1990-01-01

The objective is to provide a low cost, simple experiment for either demonstration purposes or as a laboratory experiment that will teach the student the importance of the thermal-mechanical history of a metallic alloy in determining that material's mechanical behavior. Hairpins are subjected to various treatments. The experimental equipment and procedures are discussed.

Sb-Te alloy nanostructures produced on a graphite surface by a simple annealing process

NASA Astrophysics Data System (ADS)

Kuwahara, Masashi; Uratsuji, Hideaki; Abe, Maho; Sone, Hayato; Hosaka, Sumio; Sakai, Joe; Uehara, Yoichi; Endo, Rie; Tsuruoka, Tohru

2015-08-01

We have produced Sb-Te alloy nanostructures from a thin Sb2Te3 layer deposited on a highly oriented pyrolytic graphite substrate using a simple rf-magnetron sputtering and annealing technique. The size, shape, and chemical composition of the structures were investigated by scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy dispersive X-ray spectrometry (EDX), respectively. The shape of the nanostructures was found to depend on the annealing temperature; nanoparticles appear on the substrate by annealing at 200 °C, while nanoneedles are formed at higher temperatures. Chemical composition analysis has revealed that all the structures were in the composition of Sb:Te = 1:3, Te rich compared to the target composition Sb2Te3, probably due to the higher movability of Te atoms on the substrate compared with Sb. We also tried to observe the production process of nanostructures in situ using SEM. Unfortunately, this was not possible because of evaporation in vacuum, suggesting that the formation of nanostructures is highly sensitive to the ambient pressure.

Mechanistic Studies Of Combustion And Structure Formation During Combustion Synthesis Of Advanced Materials: Phase Separation Mechanism For Bio-Alloys

NASA Technical Reports Server (NTRS)

Varma, A.; Lau, C.; Mukasyan, A.

2003-01-01

Among all implant materials, Co-Cr-Mo alloys demonstrate perhaps the most useful balance of resistance to corrosion, fatigue and wear, along with strength and biocompatibility [1]. Currently, these widely used alloys are produced by conventional furnace technology. Owing to high melting points of the main alloy elements (e.g. Tm.p.(Co) 1768 K), high-temperature furnaces and long process times (several hours) are required. Therefore, attempts to develop more efficient and flexible methods for production of such alloys with superior properties are of great interest. The synthesis of materials using combustion phenomena is an advanced approach in powder metallurgy [2]. The process is characterized by unique conditions involving extremely fast heating rates (up to 10(exp 6 K/s), high temperatures (up to 3500 K), and short reaction times (on the order of seconds). As a result, combustion synthesis (CS) offers several attractive advantages over conventional metallurgical processing and alloy development technologies. The foremost is that solely the heat of chemical reaction (instead of an external source) supplies the energy for the synthesis. Also, simple equipment, rather than energy-intensive high-temperature furnaces, is sufficient. This work was devoted to experiments on CS of Co-based alloys by utilizing thermite (metal oxide-reducing metal) reactions, where phase separation subsequently produces materials with tailored compositions and properties. Owing to high reaction exothermicity, the CS process results in a significant increase of temperature (up to 3000 C), which is higher than melting points of all products. Since the products differ in density, phase separation may be a gravitydriven process: the heavy (metallic phase) settles while the light (slag) phase floats. The goal was to determine if buoyancy is indeed the major mechanism that controls phase segregation.

Atomistic Modeling of RuAl and (RuNi) Al Alloys

NASA Technical Reports Server (NTRS)

Gargano, Pablo; Mosca, Hugo; Bozzolo, Guillermo; Noebe, Ronald D.; Gray, Hugh R. (Technical Monitor)

2002-01-01

Atomistic modeling of RuAl and RuAlNi alloys, using the BFS (Bozzolo-Ferrante-Smith) method for alloys is performed. The lattice parameter and energy of formation of B2 RuAl as a function of stoichiometry and the lattice parameter of (Ru(sub 50-x)Ni(sub x)Al(sub 50)) alloys as a function of Ni concentration are computed. BFS based Monte Carlo simulations indicate that compositions close to Ru25Ni25Al50 are single phase with no obvious evidence of a miscibility gap and separation of the individual B2 phases.

The hydrogen diffusion in liquid aluminum alloys from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Jakse, N.; Pasturel, A.

2014-09-01

We study the hydrogen diffusion in liquid aluminum alloys through extensive ab initio molecular dynamics simulations. At the microscopic scale, we show that the hydrogen motion is characterized by a broad distribution of spatial jumps that does not correspond to a Brownian motion. To determine the self-diffusion coefficient of hydrogen in liquid aluminum alloys, we use a generalized continuous time random walk model recently developed to describe the hydrogen diffusion in pure aluminum. In particular, we show that the model successfully accounts the effects of alloying elements on the hydrogen diffusion in agreement with experimental features.

Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Zhou, Lin; Tang, Wei; Kramer, Matthew J.; Anderson, Iver E.; Wang, Cai-Zhuang; Ho, Kai-Ming

2017-11-01

An accurate and transferable cluster-expansion model for complex quinary alloys is developed. Lattice Monte Carlo simulation enabled by this cluster-expansion model is used to investigate temperature-dependent atomic structure of alnico alloys, which are considered as promising high-performance non-rare-earth permanent-magnet materials for high-temperature applications. The results of the Monte Carlo simulations are consistent with available experimental data and provide useful insights into phase decomposition, selection, and chemical ordering in alnico. The simulations also reveal a previously unrecognized D 03 alloy phase. This phase is very rich in Ni and exhibits very weak magnetization. Manipulating the size and location of this phase provides a possible route to improve the magnetic properties of alnico, especially coercivity.

Effect of pulsed current GTA welding parameters on the fusion zone microstructure of AA 6061 aluminium alloy

NASA Astrophysics Data System (ADS)

Kumar, T. Senthil; Balasubramanian, V.; Babu, S.; Sanavullah, M. Y.

2007-08-01

AA6061 aluminium alloy (Al-Mg-Si alloy) has gathered wide acceptance in the fabrication of food processing equipment, chemical containers, passenger cars, road tankers, and railway transport systems. The preferred process for welding these aluminium alloys is frequently Gas Tungsten Arc (GTA) welding due to its comparatively easy applicability and lower cost. In the case of single pass GTA welding of thinner sections of this alloy, the pulsed current has been found beneficial due to its advantages over the conventional continuous current processes. The use of pulsed current parameters has been found to improve the mechanical properties of the welds compared to those of continuous current welds of this alloy due to grain refinement occurring in the fusion zone. In this investigation, an attempt has been made to develop a mathematical model to predict the fusion zone grain diameter incorporating pulsed current welding parameters. Statistical tools such as design of experiments, analysis of variance, and regression analysis are used to develop the mathematical model. The developed model can be effectively used to predict the fusion grain diameter at a 95% confidence level for the given pulsed current parameters. The effect of pulsed current GTA welding parameters on the fusion zone grain diameter of AA 6061 aluminium alloy welds is reported in this paper.

Development of multilayer perceptron networks for isothermal time temperature transformation prediction of U-Mo-X alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johns, Jesse M.; Burkes, Douglas

In this work, a multilayered perceptron (MLP) network is used to develop predictive isothermal time-temperature-transformation (TTT) models covering a range of U-Mo binary and ternary alloys. The selected ternary alloys for model development are U-Mo-Ru, U-Mo-Nb, U-Mo-Zr, U-Mo-Cr, and U-Mo-Re. These model’s ability to predict 'novel' U-Mo alloys is shown quite well despite the discrepancies between literature sources for similar alloys which likely arise from different thermal-mechanical processing conditions. These models are developed with the primary purpose of informing experimental decisions. Additional experimental insight is necessary in order to reduce the number of experiments required to isolate ideal alloys. Thesemore » models allow test planners to evaluate areas of experimental interest; once initial tests are conducted, the model can be updated and further improve follow-on testing decisions. The model also improves analysis capabilities by reducing the number of data points necessary from any particular test. For example, if one or two isotherms are measured during a test, the model can construct the rest of the TTT curve over a wide range of temperature and time. This modeling capability reduces the cost of experiments while also improving the value of the results from the tests. The reduced costs could result in improved material characterization and therefore improved fundamental understanding of TTT dynamics. As additional understanding of phenomena driving TTTs is acquired, this type of MLP model can be used to populate unknowns (such as material impurity and other thermal mechanical properties) from past literature sources.« less

Thermal Stability of Nanocrystalline Alloys by Solute Additions and A Thermodynamic Modeling

NASA Astrophysics Data System (ADS)

Saber, Mostafa

Nanocrystalline alloys show superior properties due to their exceptional microstructure. Thermal stability of these materials is a critical aspect. It is well known that grain boundaries in nanocrystalline microstructures cause a significant increase in the total free energy of the system. A driving force provided to reduce this excess free energy can cause grain growth. The presence of a solute addition within a nanocrystalline alloy can lead to the thermal stability. Kinetic and thermodynamic stabilization are the two basic mechanisms with which stability of a nanoscale grain size can be achieved at high temperatures. The basis of this thesis is to study the effect of solute addition on thermal stability of nanocrystalline alloys. The objective is to determine the effect of Zr addition on the thermal stability of mechanically alloyed nanocrysatillne Fe-Cr and Fe-Ni alloys. In Fe-Cr-Zr alloy system, nanoscale grain size stabilization was maintained up to 900 °C by adding 2 at% Zr. Kinetic pinning by intermetallic particles in the nanoscale range was identified as a primary mechanism of thermal stabilization. In addition to the grain size strengthening, intermetallic particles also contribute to strengthening mechanisms. The analysis of microhardness, XRD data, and measured grain sizes from TEM micrographs suggested that both thermodynamic and kinetic mechanisms are possible mechanisms. It was found that alpha → gamma phase transformation in Fe-Cr-Zr system does not influence the grain size stabilization. In the Fe-Ni-Zr alloy system, it was shown that the grain growth in Fe-8Ni-1Zr alloy is much less than that of pure Fe and Fe-8Ni alloy at elevated temperatures. The microstructure of the ternary Fe-8Ni-1Zr alloy remains in the nanoscale range up to 700 °C. Using an in-situ TEM study, it was determined that drastic grain growth occurs when the alpha → gamma phase transformation occurs. Accordingly, there can be a synergistic relationship between grain growth and alpha → gamma phase transformation in Fe-Ni-Zr alloys. In addition to the experimental study of thermal stabilization of nanocrystalline Fe-Cr-Zr or Fe-Ni-Zr alloys, the thesis presented here developed a new predictive model, applicable to strongly segregating solutes, for thermodynamic stabilization of binary alloys. This model can serve as a benchmark for selecting solute and evaluating the possible contribution of stabilization. Following a regular solution model, both the chemical and elastic strain energy contributions are combined to obtain the mixing enthalpy. The total Gibbs free energy of mixing is then minimized with respect to simultaneous variations in the grain boundary volume fraction and the solute concentration in the grain boundary and the grain interior. The Lagrange multiplier method was used to obtained numerical solutions. Application are given for the temperature dependence of the grain size and the grain boundary solute excess for selected binary system where experimental results imply that thermodynamic stabilization could be operative. This thesis also extends the binary model to a new model for thermodynamic stabilization of ternary nanocrystalline alloys. It is applicable to strongly segregating size-misfit solutes and uses input data available in the literature. In a same manner as the binary model, this model is based on a regular solution approach such that the chemical and elastic strain energy contributions are incorporated into the mixing enthalpy DeltaHmix, and the mixing entropy DeltaSmix is obtained using the ideal solution approximation. The Gibbs mixing free energy Delta Gmix is then minimized with respect to simultaneous variations in grain growth and solute segregation parameters. The Lagrange multiplier method is similarly used to obtain numerical solutions for the minimum Delta Gmix. The temperature dependence of the nanocrystalline grain size and interfacial solute excess can be obtained for selected ternary systems. As an example, model predictions are compared to experimental results for Fe-Cr-Zr and Fe-Ni-Zr alloy systems. Consistency between the experimental results and the present model predictions provide a more rigorous criterion for investigating thermal stabilization. However, other possible contributions for grain growth stabilization should still be considered.

Thermal Modeling of Al-Al and Al-Steel Friction Stir Spot Welding

NASA Astrophysics Data System (ADS)

Jedrasiak, P.; Shercliff, H. R.; Reilly, A.; McShane, G. J.; Chen, Y. C.; Wang, L.; Robson, J.; Prangnell, P.

2016-09-01

This paper presents a finite element thermal model for similar and dissimilar alloy friction stir spot welding (FSSW). The model is calibrated and validated using instrumented lap joints in Al-Al and Al-Fe automotive sheet alloys. The model successfully predicts the thermal histories for a range of process conditions. The resulting temperature histories are used to predict the growth of intermetallic phases at the interface in Al-Fe welds. Temperature predictions were used to study the evolution of hardness of a precipitation-hardened aluminum alloy during post-weld aging after FSSW.

Method for producing hard-surfaced tools and machine components

DOEpatents

McHargue, Carl J.

1985-01-01

In one aspect, the invention comprises a method for producing tools and machine components having superhard crystalline-ceramic work surfaces. Broadly, the method comprises two steps: A tool or machine component having a ceramic near-surface region is mounted in ion-implantation apparatus. The region then is implanted with metal ions to form, in the region, a metastable alloy of the ions and said ceramic. The region containing the alloy is characterized by a significant increase in hardness properties, such as microhardness, fracture-toughness, and/or scratch-resistance. The resulting improved article has good thermal stability at temperatures characteristic of typical tool and machine-component uses. The method is relatively simple and reproducible.

Structure and creep rupture properties of directionally solidified eutectic gamma/gamma-prime-alpha alloy

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.; Wirth, G.

1982-01-01

A simple ternary gamma/gamma-prime-alpha alloy of nominal composition (wt-%) Ni-32Mo-6Al has been directionally solidified at 17 mm/h and tested in creep rupture at 1073, 1173, and 1273 K. A uniform microstructure consisting of square-shaped Mo fibers in a gamma + gamma-prime matrix was found despite some variation in the molybdenum and aluminum concentrations along the growth direction. Although the steady-state creep rate is well described by the normal stress temperature equation, the stress exponent (12) and the activation energy (580 kJ/mol) are high. The rupture behavior is best characterized by the Larson-Miller parameter where the constant equals 20.

Method for producing hard-surfaced tools and machine components

DOEpatents

McHargue, C.J.

1981-10-21

In one aspect, the invention comprises a method for producing tools and machine components having superhard crystalline-ceramic work surfaces. Broadly, the method comprises two steps: a tool or machine component having a ceramic near-surface region is mounted in ion-implantation apparatus. The region then is implanted with metal ions to form, in the region, a metastable alloy of the ions and said ceramic. The region containing the alloy is characterized by a significant increase in hardness properties, such as microhardness, fracture-toughness, and/or scratch-resistance. The resulting improved article has good thermal stability at temperatures characteristic of typical tool and machine-component uses. The method is relatively simple and reproducible.

Electrochemical Behavior and Surface Chemistry of Aluminum Alloys: Solute-Rich Interphase Model

DTIC Science & Technology

1993-03-31

physical vapor deposition ( PVD ). Several different mechanisms have been proposed to explain the passivity of stainless aluminum alloys, including...flat-cell model K0235), which simplified the mounting of the specimens since no lead wire attachment or coating of the specimens were required. The...reasons. First, depending on when the particles were ejected and whether they were subsequently coated with the alloy, their presence could establish

Tuning Nb–Pt Interactions To Facilitate Fuel Cell Electrocatalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghoshal, Shraboni; Jia, Qingying; Bates, Michael K.

High stability, availability of multiple oxidation states, and accessibility within a wide electrochemical window are the prime features of Nb that make it a favorable candidate for electrocatalysis, especially when it is combined with Pt. However, Nb has been used as a support in the form of oxides in all previously reported Pt–Nb electrocatalysts, and no Pt–Nb alloying phase has been demonstrated hitherto. Herein, we report a multifunctional Pt–Nb composite (PtNb/NbOx-C) where Nb exists both as an alloying component with Pt and as an oxide support and is synthesized by means of a simple wet chemical method. In this work,more » the Pt–Nb alloy phase has been firmly verified with the help of multiple spectroscopic methods. This allows for the experimental evidence of the theoretical prediction that Pt–Nb alloy interactions improve the oxygen reduction reaction (ORR) activity of Pt. In addition, such a combination of multiphase Nb brings up myriad features encompassing increased ORR durability, immunity to phosphate anion poisoning, enhanced hydrogen oxidation reaction (HOR) activity, and oxidative carbon monoxide (CO) stripping, making this electrocatalyst useful in multiple fuel cell systems.« less

High coercivity microcrystalline Nd-rich Nd-Fe-Co-Al-B bulk magnets prepared by direct copper mold casting

NASA Astrophysics Data System (ADS)

Zhao, L. Z.; Hong, Y.; Fang, X. G.; Qiu, Z. G.; Zhong, X. C.; Gao, X. S.; Liu, Z. W.

2016-06-01

High coercivity Nd25Fe40Co20Al15-xBx (x=7-15) hard magnets were prepared by a simple process of injection casting. Different from many previous investigations on nanocomposite compositions, the magnets in this work contain hard magnetic Nd2(FeCoAl)14B, Nd-rich, and Nd1+ε(FeCo)4B4 phases. The magnetic properties, phase evolution, and microstructure of the as-cast and annealed magnets were investigated. As the boron content increased from 7 to 11 at%, the intrinsic coercivity Hcj of the as-cast magnet increased from 816 to 1140 kA/m. The magnets annealed at 750 °C have shown more regular and smaller grains than the as-cast alloys, especially for the x=11 alloy. The high intrinsic coercivities for the annealed alloys with x=8~11 result from the presence of small-sized grains in the microstructure. The highest Hcj of 1427 kA/m was obtained for the heat treated alloy with x=10. This work provides an alternative approach for preparing fully dense Nd-rich bulk hard magnets with relatively good properties.

Facile Fabrication of Platinum-Cobalt Alloy Nanoparticles with Enhanced Electrocatalytic Activity for a Methanol Oxidation Reaction

NASA Astrophysics Data System (ADS)

Huang, Huihong; Hu, Xiulan; Zhang, Jianbo; Su, Nan; Cheng, Jiexu

2017-03-01

Decreasing the cost associated with platinum-based catalysts along with improving their catalytic properties is a major challenge for commercial direct methanol fuel cells. In this work, a simple and facile strategy was developed for the more efficient preparation of multi-walled carbon nanotube (MWCNT) -supported Pt/CoPt composite nanoparticles (NPs) via solution plasma sputtering with subsequent thermal annealing. Quite different from general wet synthesis methods, Pt/CoPt composite NPs were directly derived from metal wire electrodes without any additions. The obtained Pt/CoPt/MWCNTs composite catalysts exhibited tremendous improvement in the electro-oxidation of methanol in acidic media with mass activities of 1719 mA mg-1Pt. This value is much higher than that of previous reports of Pt-Co alloy and commercial Pt/C (3.16 times) because of the many active sites and clean surface of the catalysts. The catalysts showed good stability due to the special synergistic effects of the CoPt alloy. Pt/CoPt/MWCNTs can be used as a promising catalyst for direct methanol fuel cells. In addition, this solution plasma sputtering-assisted synthesis method introduces a general and feasible route for the synthesis of binary alloys.

Facile Fabrication of Platinum-Cobalt Alloy Nanoparticles with Enhanced Electrocatalytic Activity for a Methanol Oxidation Reaction.

PubMed

Huang, Huihong; Hu, Xiulan; Zhang, Jianbo; Su, Nan; Cheng, JieXu

2017-03-30

Decreasing the cost associated with platinum-based catalysts along with improving their catalytic properties is a major challenge for commercial direct methanol fuel cells. In this work, a simple and facile strategy was developed for the more efficient preparation of multi-walled carbon nanotube (MWCNT) -supported Pt/CoPt composite nanoparticles (NPs) via solution plasma sputtering with subsequent thermal annealing. Quite different from general wet synthesis methods, Pt/CoPt composite NPs were directly derived from metal wire electrodes without any additions. The obtained Pt/CoPt/MWCNTs composite catalysts exhibited tremendous improvement in the electro-oxidation of methanol in acidic media with mass activities of 1719 mA mg -1 Pt . This value is much higher than that of previous reports of Pt-Co alloy and commercial Pt/C (3.16 times) because of the many active sites and clean surface of the catalysts. The catalysts showed good stability due to the special synergistic effects of the CoPt alloy. Pt/CoPt/MWCNTs can be used as a promising catalyst for direct methanol fuel cells. In addition, this solution plasma sputtering-assisted synthesis method introduces a general and feasible route for the synthesis of binary alloys.

Structure and in vitro bioactivity of ceramic coatings on magnesium alloys by microarc oxidation

NASA Astrophysics Data System (ADS)

Yu, Huijun; Dong, Qing; Dou, Jinhe; Pan, Yaokun; Chen, Chuanzhong

2016-12-01

Magnesium and its alloys have the potential to serve as lightweight, degradable, biocompatible and bioactive orthopedic implants for load-bearing applications. However, severe local corrosion attack and high corrosion rate have prevented their further clinical use. Micro-arc oxidation (MAO) is proved to be a simple, controllable and efficient electrochemistry technique that can prepare protective ceramic coatings on magnesium alloys. In this paper, electrolyte containing silicate salts was used for microarc oxidation to form ceramic bioactive coatings on the ZK61 alloy substrate. The structure characteristics and element distributions of the coating were investigated by XRD, TEM, SEM and EPMA. The MAO samples were immersed in simulated body fluid (SBF) for 7 and 14 days, respectively. The surface characteristic of the immersed coatings was investigated by Fourier-transform infrared (FTIR) spectroscopy. The results show that these MAO coatings have low crystallinity and are mainly composed of MgO, Mg2SiO4 and Mg2Si2O6. The coating surface is porous. During the SBF immersion period, the nucleation and precipitation of bone-like apatites occur on the MAO coating surface. The corrosion resistance of the substrate is improved by the MAO coatings.

Magnesium Alloys as a Biomaterial for Degradable Craniofacial Screws

PubMed Central

Henderson, Sarah E.; Verdelis, Konstantinos; Maiti, Spandan; Pal, Siladitya; Chung, William L.; Chou, Da-Tren; Kumta, Prashant N.; Almarza, Alejandro J.

2014-01-01

Recently, magnesium (Mg) alloys have received significant attention as a potential biomaterial for degradable implants, and this study was directed at evaluating the suitability of Mg for craniofacial bone screws. The objective was to implant screws fabricated from commercially available Mg-alloys (pure Mg and AZ31) in-vivo in a rabbit mandible. First, Mg-alloy screws were compared to stainless steel screws in an in-vitro pull-out test and determined to have a similar holding strength (~40N). A finite element model of the screw was created using the pull-out test data, and the model can be used for future Mg-alloy screw design. Then, Mg-alloy screws were implanted for 4, 8, and 12 weeks, with two controls of an osteotomy site (hole) with no implant and a stainless steel screw implanted for 12 weeks. MicroCT (computed tomography) was used to assess bone remodeling and Mg-alloy degradation, both visually and qualitatively through volume fraction measurements for all time points. Histologic analysis was also completed for the Mg-alloys at 12 weeks. The results showed that craniofacial bone remodeling occurred around both Mg-alloy screw types. Pure Mg had a different degradation profile than AZ31, however bone growth occurred around both screw types. The degradation rate of both Mg-alloy screw types in the bone marrow space and the muscle were faster than in the cortical bone space at 12 weeks. Furthermore, it was shown that by alloying Mg, the degradation profile could be changed. These results indicate the promise of using Mg-alloys for craniofacial applications. PMID:24384125

Enhanced bioactivity of Mg-Nd-Zn-Zr alloy achieved with nanoscale MgF2 surface for vascular stent application.

PubMed

Mao, Lin; Shen, Li; Chen, Jiahui; Wu, Yu; Kwak, Minsuk; Lu, Yao; Xue, Qiong; Pei, Jia; Zhang, Lei; Yuan, Guangyin; Fan, Rong; Ge, Junbo; Ding, Wenjiang

2015-03-11

Magnesium (Mg) alloys have revolutionized the application of temporary load-bearing implants as they meet both engineering and medical requirements. However, rapid degradation of Mg alloys under physiological conditions remains the major obstacle hindering the wider use of Mg-based implants. Here we developed a simple method of preparing a nanoscale MgF2 film on Mg-Nd-Zn-Zr (denoted as JDBM) alloy, aiming to reduce the corrosion rate as well as improve the biological response. The corrosion rate of JDBM alloy exposed to artificial plasma is reduced by ∼20% from 0.337 ± 0.021 to 0.269 ± 0.043 mm·y(-1) due to the protective effect of the MgF2 film with a uniform and dense physical structure. The in vitro cytocompatibility test of MgF2-coated JDBM using human umbilical vein endothelial cells indicates enhanced viability, growth, and proliferation as compared to the naked substrate, and the MgF2 film with a nanoscale flakelike feature of ∼200-300 nm presents a much more favorable environment for endothelial cell adhesion, proliferation, and alignment. Furthermore, the animal experiment via implantation of MgF2-coated JDBM stent to rabbit abdominal aorta confirms excellent tissue compatibility of the well re-endothelialized stent with no sign of thrombogenesis and restenosis in the stented vessel.

3D microstructural evolution of primary recrystallization and grain growth in cold rolled single-phase aluminum alloys

NASA Astrophysics Data System (ADS)

Adam, Khaled; Zöllner, Dana; Field, David P.

2018-04-01

Modeling the microstructural evolution during recrystallization is a powerful tool for the profound understanding of alloy behavior and for use in optimizing engineering properties through annealing. In particular, the mechanical properties of metallic alloys are highly dependent upon evolved microstructure and texture from the softening process. In the present work, a Monte Carlo (MC) Potts model was used to model the primary recrystallization and grain growth in cold rolled single-phase Al alloy. The microstructural representation of two kinds of dislocation densities, statistically stored dislocations and geometrically necessary dislocations were quantified based on the ViscoPlastic Fast Fourier transform method. This representation was then introduced into the MC Potts model to identify the favorable sites for nucleation where orientation gradients and entanglements of dislocations are high. Additionally, in situ observations of non-isothermal microstructure evolution for single-phase aluminum alloy 1100 were made to validate the simulation. The influence of the texture inhomogeneity is analyzed from a theoretical point of view using an orientation distribution function for deformed and evolved texture.

Casting made simple using modified sprue design: an in vitro study.

PubMed

Baskaran, B Eswaran; Geetha Prabhu, K R; Prabhu, R; Krishna, G Phani; Eswaran, M A; Gajapathi, B

2014-01-01

Success in dental casting restorations for fixed partial dentures (FPDs) depends on the castability. Castability is described as the ability of an alloy to faithfully reproduce sharp detail and fine margins of a wax pattern. The goal of a prosthodontist is to provide the patient with restorations that fit precisely. Regardless of the alloy used for casting, the casting technique should yield a casted alloy, which should possess sufficient mass, surface hardness and minimal porosity after casting. Twenty patterns for casting were made from three-dimensional printed resin pattern simulating a 3 unit FPD and casted using modified sprue technique. Later test samples were cemented sequentially on stainless steel model using pressure indicating paste and evaluated for vertical marginal gap in eight predetermined reference areas. Marginal gap were measured in microns using Video Measuring System (VMS2010F-CIP Corporation, Korea). A portion of the axial wall of the cast abutments depicting premolar and molar were sectioned and embedded in acrylic resin and tested for micro hardness using Reichert Polyvar 2 Met Microhardness tester (Reichert, Austria) and porosity using Quantimet Image Analyzer (Quantimet Corporation London, England). The results obtained for marginal gap, micro hardness, and porosity of all test samples were tabulated, descriptive statistics were calculated and the values were found to be within the clinically acceptable range. The new sprue technique can be an alternative and convenient method for casting which would minimize metal wasting and less time consuming. However, further studies with same technique on various parameters are to be conducted for its broad acceptance.

NEAMS-ATF M3 Milestone Report: Literature Review of Modeling of Radiation-Induced Swelling in Fe-Cr-Al Steels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Xianming; Biner, Suleyman Bulent; Jiang, Chao

2015-12-01

Fe-Cr-Al steels are proposed as accident-tolerant-fuel (ATF) cladding materials in light water reactors due to their excellent oxidation resistance at high temperatures. Currently, the understanding of their performance in reactor environment is still limited. In this review, firstly we reviewed the experimental studies of Fe-Cr-Al based alloys with particular focus on the radiation effects in these alloys. Although limited data are available in literature, several previous and recent experimental studies have shown that Fe-Cr-Al based alloys have very good void swelling resistance at low and moderate irradiation doses but the growth of dislocation loops is very active. Overall, the behaviormore » of radiation damage evolution is similar to that in Fe-Cr ferritic/martensitic alloys. Secondly, we reviewed the rate theory-based modeling methods for modeling the coevolution of voids and dislocation loops in materials under irradiation such as Frenkel pair three-dimensional diffusion model (FP3DM) and cluster dynamics. Finally, we summarized and discussed our review and proposed our future plans for modeling radiation damage in Fe-Cr-Al based alloys.« less

Wear-dependent specific coefficients in a mechanistic model for turning of nickel-based superalloy with ceramic tools

NASA Astrophysics Data System (ADS)

López de Lacalle, Luis Norberto; Urbicain Pelayo, Gorka; Fernández-Valdivielso, Asier; Alvarez, Alvaro; González, Haizea

2017-09-01

Difficult to cut materials such as nickel and titanium alloys are used in the aeronautical industry, the former alloys due to its heat-resistant behavior and the latter for the low weight - high strength ratio. Ceramic tools made out alumina with reinforce SiC whiskers are a choice in turning for roughing and semifinishing workpiece stages. Wear rate is high in the machining of these alloys, and consequently cutting forces tends to increase along one operation. This paper establishes the cutting force relation between work-piece and tool in the turning of such difficult-to-cut alloys by means of a mechanistic cutting force model that considers the tool wear effect. The cutting force model demonstrates the force sensitivity to the cutting engagement parameters (ap, f) when using ceramic inserts and wear is considered. Wear is introduced through a cutting time factor, being useful in real conditions taking into account that wear quickly appears in alloys machining. A good accuracy in the cutting force model coefficients is the key issue for an accurate prediction of turning forces, which could be used as criteria for tool replacement or as input for chatter or other models.

An analytical approach to thermal modeling of Bridgman-type crystal growth. I - One-dimensional analysis

NASA Technical Reports Server (NTRS)

Naumann, R. J.

1982-01-01

A relatively simple one-dimensional thermal model of the Bridgman growth process has been developed which is applicable to the growth of small diameter samples with conductivities similar to those of metallic alloys. The heat flow in a translating rod is analyzed in a way that is applicable to Biot numbers less than unity. The model accommodates an adiabatic zone, different heat transfer coefficients in the hot and cold zones, and changes in sample material properties associated with phase change. The analysis is applied to several simplified cases. The effect of the rod's motion is studied in a three-zone furnace for a rod sufficiently long that end effects can be neglected; end effects are then investigated for a motionless rod. Finally, the addition of a fourth zone, an independently controlled booster heater between the main heater and the adiabatic zone, is evaluated for its ability to increase the gradient in the sample at the melt interface and to control the position of the interface.

Fastener load tests and retention systems tests for cryogenic wind-tunnel models

NASA Technical Reports Server (NTRS)

Wallace, J. W.

1984-01-01

A-286 stainless steel screws were tested to determine the tensile load capability and failure mode of various screw sizes and types at both cryogenic and room temperature. Additionally, five fastener retention systems were tested by using A-286 screws with specimens made from the primary metallic alloys that are currently used for cryogenic models. The locking system effectiveness was examined by simple no-load cycling to cryogenic temperatures (-275 F) as well as by dynamic and static loading at cryogenic temperatures. In general, most systems were found to be effective retention devices. There are some differences between the various devices with respect to ease of application, cleanup, and reuse. Results of tests at -275 F imply that the cold temperatures act to improve screw retention. The improved retention is probably the result of differential thermal contraction and/or increased friction (thread-binding effects). The data provided are useful in selecting screw sizes, types, and locking devices for model systems to be tested in cryogenic wind tunnels.

The effects of strain and stress state in hot forming of mg AZ31 sheet

NASA Astrophysics Data System (ADS)

Sherek, Paul A.; Carpenter, Alexander J.; Hector, Louis G.; Krajewski, Paul E.; Carter, Jon T.; Lasceski, Joshua; Taleff, Eric M.

Wrought magnesium alloys, such as AZ31 sheet, are of considerable interest for light-weighting of vehicle structural components. The poor room-temperature ductility of AZ31 sheet has been a hindrance to forming the complex part shapes necessary for practical applications. However, the outstanding formability of AZ31 sheet at elevated temperature provides an opportunity to overcome that problem. Complex demonstration components have already been produced at 450°C using gas-pressure forming. Accurate simulations of such hot, gas-pressure forming will be required for the design and optimization exercises necessary if this technology is to be implemented commercially. We report on experiments and simulations used to construct the accurate material constitutive models necessary for finite-element-method simulations. In particular, the effects of strain and stress state on plastic deformation of AZ31 sheet at 450°C are considered in material constitutive model development. Material models are validated against data from simple forming experiments.

On the Modeling of Thermal Radiation at the Top Surface of a Vacuum Arc Remelting Ingot

NASA Astrophysics Data System (ADS)

Delzant, P.-O.; Baqué, B.; Chapelle, P.; Jardy, A.

2018-02-01

Two models have been implemented for calculating the thermal radiation emitted at the ingot top in the VAR process, namely, a crude model that considers only radiative heat transfer between the free surface and electrode tip and a more detailed model that describes all radiative exchanges between the ingot, electrode, and crucible wall using a radiosity method. From the results of the second model, it is found that the radiative heat flux at the ingot top may depend heavily on the arc gap length and the electrode radius, but remains almost unaffected by variations of the electrode height. Both radiation models have been integrated into a CFD numerical code that simulates the growth and solidification of a VAR ingot. The simulation of a Ti-6-4 alloy melt shows that use of the detailed radiation model leads to some significant modification of the simulation results compared with the simple model. This is especially true during the hot-topping phase, where the top radiation plays an increasingly important role compared with the arc energy input. Thus, while the crude model has the advantage of its simplicity, use of the detailed model should be preferred.

On the Modeling of Thermal Radiation at the Top Surface of a Vacuum Arc Remelting Ingot

NASA Astrophysics Data System (ADS)

Delzant, P.-O.; Baqué, B.; Chapelle, P.; Jardy, A.

2018-06-01

Two models have been implemented for calculating the thermal radiation emitted at the ingot top in the VAR process, namely, a crude model that considers only radiative heat transfer between the free surface and electrode tip and a more detailed model that describes all radiative exchanges between the ingot, electrode, and crucible wall using a radiosity method. From the results of the second model, it is found that the radiative heat flux at the ingot top may depend heavily on the arc gap length and the electrode radius, but remains almost unaffected by variations of the electrode height. Both radiation models have been integrated into a CFD numerical code that simulates the growth and solidification of a VAR ingot. The simulation of a Ti-6-4 alloy melt shows that use of the detailed radiation model leads to some significant modification of the simulation results compared with the simple model. This is especially true during the hot-topping phase, where the top radiation plays an increasingly important role compared with the arc energy input. Thus, while the crude model has the advantage of its simplicity, use of the detailed model should be preferred.

On the corrosion behavior and biocompatibility of palladium-based dental alloys

NASA Astrophysics Data System (ADS)

Sun, Desheng

Palladium-based alloys have been used as dental restorative materials for about two decades with good clinical history. But there have been clinical case reports showing possible allergy effects from these alloys. The aim of this study was to characterize the corrosion behavior and mechanisms of several palladium-based dental alloys by potentiodynamic polarization methods, electrochemical impedance spectroscopy (EIS), and scanning Kelvin probe force microscopy/atomic force microscopy (SKPFM/AFM), and to evaluate their biocompatibility by a cell culture technique and an animal model. Using SKPFM/AFM and scanning electron microscopy, the Ru-enriched phase from the use of ruthenium as a grain-refining element was identified as being slightly more noble than the palladium solid solution matrix in a high-palladium alloy. Other secondary precipitates that exist in the microstructures of these high-palladium alloys have minimal differences in Volta potential compared to the matrix. For high-palladium alloys, corrosion is generally uniform due to the predominant palladium content in the different phases. Potentiodynamic polarization and EIS have shown that representative palladium-silver alloys have low corrosion tendency and high corrosion resistance, which are equivalent to a well-known high-noble gold-palladium alloy in simulated body fluid and oral environments. The palladium-silver alloys tested are resistant to chloride ion corrosion. Passivation and dealloying have been identified for all of the tested palladium-silver alloys. The great similarity in corrosion behavior among the palladium-silver alloys is attributed to their similar chemical compositions. The variation in microstructures of palladium-silver alloys tested does not cause significant difference in corrosion behavior. The corrosion resistance of these palladium-silver alloys at elevated potentials relevant to oral environment is still satisfactory. The release of elements from representative dental palladium alloys into cell culture media did not significantly affect the proliferation and viability of human fibroblast cells. Subcutaneous implantation of samples of one high-palladium alloy, one palladium-silver alloy and a gold alloy into mice did not cause any significant histological change in their skin and spleen. The presence of an oxide layer from dental laboratory processing of these alloys did not cause any adverse reactions from the cells or animals. The biocompatibility of the dental palladium-based alloys evaluated by the cell culture and animal models is satisfactory, suggesting that these alloys are safe for clinical usage.

Long-term strategies for increased recycling of automotive aluminum and its alloying elements.

PubMed

Løvik, Amund N; Modaresi, Roja; Müller, Daniel B

2014-04-15

Aluminum recycling currently occurs in a cascading fashion, where some alloys, used in a limited number of applications, absorb most of the end-of-life scrap. An expected increase in scrap supply in coming decades necessitates restructuring of the aluminum cycle to open up new recycling paths for alloys and avoid a potential scrap surplus. This paper explores various interventions in end-of-life management and recycling of automotive aluminum, using a dynamic substance flow analysis model of aluminum and its alloying elements with resolution on component and alloy level (vehicle-component-alloy-element model). It was found that increased component dismantling before vehicle shredding can be an effective, so far underestimated, intervention in the medium term, especially if combined with development of safety-relevant components such as wheels from secondary material. In the long term, automatic alloy sorting technologies are most likely required, but could at the same time reduce the need for magnesium removal in refining. Cooperation between the primary and secondary aluminum industries, the automotive industry, and end-of-life vehicle dismantlers is therefore essential to ensure continued recycling of automotive aluminum and its alloying elements.

A phase field model for segregation and precipitation induced by irradiation in alloys

NASA Astrophysics Data System (ADS)

Badillo, A.; Bellon, P.; Averback, R. S.

2015-04-01

A phase field model is introduced to model the evolution of multicomponent alloys under irradiation, including radiation-induced segregation and precipitation. The thermodynamic and kinetic components of this model are derived using a mean-field model. The mobility coefficient and the contribution of chemical heterogeneity to free energy are rescaled by the cell size used in the phase field model, yielding microstructural evolutions that are independent of the cell size. A new treatment is proposed for point defect clusters, using a mixed discrete-continuous approach to capture the stochastic character of defect cluster production in displacement cascades, while retaining the efficient modeling of the fate of these clusters using diffusion equations. The model is tested on unary and binary alloy systems using two-dimensional simulations. In a unary system, the evolution of point defects under irradiation is studied in the presence of defect clusters, either pre-existing ones or those created by irradiation, and compared with rate theory calculations. Binary alloys with zero and positive heats of mixing are then studied to investigate the effect of point defect clustering on radiation-induced segregation and precipitation in undersaturated solid solutions. Lastly, irradiation conditions and alloy parameters leading to irradiation-induced homogeneous precipitation are investigated. The results are discussed in the context of experimental results reported for Ni-Si and Al-Zn undersaturated solid solutions subjected to irradiation.

Report on the Implementation of Homogeneous Nucleation Scheme in MARMOT-based Phase Field Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang Y.; Sun, Xin

2013-09-30

In this report, we summarized our effort in developing mesoscale phase field models for predicting precipitation kinetics in alloys during thermal aging and/or under irradiation in nuclear reactors. The first part focused on developing a method to predict the thermodynamic properties of critical nuclei such as the sizes and concentration profiles of critical nuclei, and nucleation barrier. These properties are crucial for quantitative simulations of precipitate evolution kinetics with phase field models. Fe-Cr alloy was chosen as a model alloy because it has valid thermodynamic and kinetic data as well as it is an important structural material in nuclear reactors.more » A constrained shrinking dimer dynamics (CSDD) method was developed to search for the energy minimum path during nucleation. With the method we are able to predict the concentration profiles of the critical nuclei of Cr-rich precipitates and nucleation energy barriers. Simulations showed that Cr concentration distribution in the critical nucleus strongly depends on the overall Cr concentration as well as temperature. The Cr concentration inside the critical nucleus is much smaller than the equilibrium concentration calculated by the equilibrium phase diagram. This implies that a non-classical nucleation theory should be used to deal with the nucleation of Cr precipitates in Fe-Cr alloys. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. A number of interesting phenomena were observed from the simulations: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrated that it is critical to introduce the correct critical nuclei into phase field modeling in order to correctly capture the kinetics of precipitation. In most alloys the matrix phase and precipitate phase have different concentrations as well as different crystal structures. For example, Cu precipitates in FeCu alloys have fcc crystal structure while the matrix Fe-Cu solid solution has bcc structure at low temperature. The WBM model and KimS model, where both concentrations and order parameters are chosen to describe the microstructures, are commonly used to model precipitations in such alloys. The WBM and KimS models have not been implemented into Marmot yet. In the second part of this report, we focused on implementing the WBM and KimS models into Marmot. The Fe-Cu alloys, which are important structure materials in nuclear reactors, was taken as the model alloys to test the models.« less

Solid-State Reaction Between Fe-Al-Ca Alloy and Al2O3-CaO-FeO Oxide During Heat Treatment at 1473 K (1200 °C)

NASA Astrophysics Data System (ADS)

Liu, Chengsong; Yang, Shufeng; Li, Jingshe; Ni, Hongwei; Zhang, Xueliang

2017-04-01

The aim of this study was to control the physicochemical characteristics of inclusions in steel through appropriate heat treatment. Using a confocal scanning laser microscope (CSLM) and pipe furnace, the solid-state reactions between Fe-Al-Ca alloy and Al2O3-CaO-FeO oxide during heat treatment at 1473 K (1200 °C) and the influence of these reactions on the compositions of and phases in the alloy and oxide were investigated by the diffusion couple method. Suitable pretreatment of the oxide using a CSLM and production of the diffusion couple of Fe-Al-Ca alloy and Al2O3-CaO-FeO oxide gave good contact between the alloy and oxide. The diffusion couple was then sealed in a quartz tube with a piece of Ti foil to lower oxygen partial pressure and a block of Fe-Al-Ca alloy was introduced to conduct heat treatment experiments. Solid-state reactions between the alloy and oxide during heat treatment at 1473 K (1200 °C) were analyzed and discussed. A dynamic model to calculate the width of the particle precipitation zone based on the Wagner model of internal oxidation of metal was proposed. This model was helpful to understand the solid-state reaction mechanism between Fe-Al-Ca alloy and Al2O3-CaO-FeO oxide.

Durability Assessment of Various Gamma TiAl Alloys

NASA Technical Reports Server (NTRS)

Lerch, Brad; Draper, Sue; Pereira, Mike; Zhuang, Wyman

2003-01-01

Seven cast and one wrought gamma-alloys were ballistically impacted and tested under high cycle fatigue. The fatigue strength of each alloy was characterized as a function of initial flaw size and modeled using a threshold-based fracture mechanics approach.

Effect of diffusional creep on particle morphology of polycrystalline alloys strengthened by second phase particles

NASA Technical Reports Server (NTRS)

Wittenberger, J. D.; Behrendt, D. R.

1973-01-01

Diffusional creep in a polycrystalline alloy containing second-phase particles can disrupt the particle morphology. For alloys which depend on the particle distribution for strength, changes in the particle morphology can affect the mechanical properties. Recent observations of diffusional creep in alloys containing soluble particles (gamma-prime strengthened Ni base alloys) and inert particles have been reexamined in light of the basic mechanisms of diffusional creep, and a generalized model of this effect is proposed. The model indicates that diffusional creep will generally result in particle-free regions in the vicinity of grain boundaries serving as net vacancy sources. The factors which control the changes in second-phase morphology have been identified, and methods of reducing the effects of diffusional creep are suggested.

Phosphate conversion coating reduces the degradation rate and suppresses side effects of metallic magnesium implants in an animal model.

PubMed

Rahim, Muhammad Imran; Tavares, Ana; Evertz, Florian; Kieke, Marc; Seitz, Jan-Marten; Eifler, Rainer; Weizbauer, Andreas; Willbold, Elmar; Jürgen Maier, Hans; Glasmacher, Birgit; Behrens, Peter; Hauser, Hansjörg; Mueller, Peter P

2017-08-01

Magnesium alloys have promising mechanical and biological properties for the development of degradable implants. However, rapid implant corrosion and gas accumulations in tissue impede clinical applications. With time, the implant degradation rate is reduced by a highly biocompatible, phosphate-containing corrosion layer. To circumvent initial side effects after implantation it was attempted to develop a simple in vitro procedure to generate a similarly protective phosphate corrosion layer. To this end magnesium samples were pre-incubated in phosphate solutions. The resulting coating was well adherent during routine handling procedures. It completely suppressed the initial burst of corrosion and it reduced the average in vitro magnesium degradation rate over 56 days almost two-fold. In a small animal model phosphate coatings on magnesium implants were highly biocompatible and abrogated the appearance of gas cavities in the tissue. After implantation, the phosphate coating was replaced by a layer with an elemental composition that was highly similar to the corrosion layer that had formed on plain magnesium implants. The data demonstrate that a simple pre-treatment could improve clinically relevant properties of magnesium-based implants. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1622-1635, 2017. © 2016 Wiley Periodicals, Inc.

A fuzzy model of superelastic shape memory alloys for vibration control in civil engineering applications

NASA Astrophysics Data System (ADS)

Ozbulut, O. E.; Mir, C.; Moroni, M. O.; Sarrazin, M.; Roschke, P. N.

2007-06-01

Two experimental test programs are conducted to collect data and simulate the dynamic behavior of CuAlBe shape memory alloy (SMA) wires. First, in order to evaluate the effect of temperature changes on superelastic SMA wires, a large number of cyclic, sinusoidal, tensile tests are performed at 1 Hz. These tests are conducted in a controlled environment at 0, 25 and 50 °C with three different strain amplitudes. Second, in order to assess the dynamic effects of the material, a series of laboratory experiments is conducted on a shake table with a scale model of a three-story structure that is stiffened with SMA wires. Data from these experiments are used to create fuzzy inference systems (FISs) that can predict hysteretic behavior of CuAlBe wire. Both fuzzy models employ a total of three input variables (strain, strain-rate, and temperature or pre-stress) and an output variable (predicted stress). Gaussian membership functions are used to fuzzify data for each of the input and output variables. Values of the initially assigned membership functions are adjusted using a neural-fuzzy procedure to more accurately predict the correct stress level in the wires. Results of the trained FISs are validated using test results from experimental records that had not been previously used in the training procedure. Finally, a set of numerical simulations is conducted to illustrate practical use of these wires in a civil engineering application. The results reveal the applicability for structural vibration control of pseudoelastic CuAlBe wire whose highly nonlinear behavior is modeled by a simple, accurate, and computationally efficient FIS.

An Introduction to the BFS Method and Its Use to Model Binary NiAl Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Ferrante, J.; Amador, C.

1998-01-01

We introduce the Bozzolo-Ferrante-Smith (BFS) method for alloys as a computationally efficient tool for aiding in the process of alloy design. An intuitive description of the BFS method is provided, followed by a formal discussion of its implementation. The method is applied to the study of the defect structure of NiAl binary alloys. The groundwork is laid for a detailed progression to higher order NiAl-based alloys linking theoretical calculations and computer simulations based on the BFS method and experimental work validating each step of the alloy design process.

Low-temperature softening in body-centered cubic alloys

NASA Technical Reports Server (NTRS)

Pink, E.; Arsenault, R. J.

1979-01-01

In the low-temperature range, bcc alloys exhibit a lower stress-temperature dependence than the pure base metals. This effect often leads to a phenomenon that is called 'alloy softening': at low temperatures, the yield stress of an alloy may be lower than that of the base metal. Various theories are reviewed; the most promising are based either on extrinsic or intrinsic models of low-temperature deformation. Some other aspects of alloy softening are discussed, among them the effects on the ductile-brittle transition temperature.

Fabrication of lithium/C-103 alloy heat pipes for sharp leading edge cooling

NASA Astrophysics Data System (ADS)

Ai, Bangcheng; Chen, Siyuan; Yu, Jijun; Lu, Qin; Han, Hantao; Hu, Longfei

2018-05-01

In this study, lithium/C-103 alloys heat pipes are proposed for sharp leading edge cooling. Three models of lithium/C-103 alloy heat pipes were fabricated. And their startup properties were tested by radiant heat tests and aerothermal tests. It is found that the startup temperature of lithium heat pipe was about 860 °C. At 1000 °C radiant heat tests, the operating temperature of lithium/C-103 alloy heat pipe is lower than 860 °C. Thus, startup failure occurs. At 1100 °C radiant heat tests and aerothermal tests, the operating temperature of lithium/C-103 alloy heat pipe is higher than 860 °C, and the heat pipe starts up successfully. The startup of lithium/C-103 alloy heat pipe decreases the leading edge temperature effectively, which endows itself good ablation resistance. After radiant heat tests and aerothermal tests, all the heat pipe models are severely oxidized because of the C-103 poor oxidation resistance. Therefore, protective coatings are required for further applications of lithium/C-103 alloy heat pipes.

Delivery of paclitaxel from cobalt–chromium alloy surfaces without polymeric carriers

PubMed Central

Mani, Gopinath; Macias, Celia E.; Feldman, Marc D.; Marton, Denes; Oh, Sunho; Agrawal, C. Mauli

2014-01-01

Polymer-based carriers are commonly used to deliver drugs from stents. However, adverse responses to polymer coatings have raised serious concerns. This research is focused on delivering drugs from stents without using polymers or any carriers. Paclitaxel (PAT), an anti-restenotic drug, has strong adhesion towards a variety of material surfaces. In this study, we have utilized such natural adhesion property of PAT to attach these molecules directly to cobalt–chromium (Co–Cr) alloy, an ultra-thin stent strut material. Four different groups of drug coated specimens were prepared by directly adding PAT to Co–Cr alloy surfaces: Group-A (PAT coated, unheated, and ethanol cleaned); Group-B (PAT coated, heat treated, and ethanol cleaned); Group-C (PAT coated, unheated, and not ethanol cleaned); and Group-D (PAT coated, heat treated and not ethanol cleaned). In vitro drug release of these specimens was investigated using high performance liquid chromatography. Groups A and B showed sustained PAT release for up to 56 days. A simple ethanol cleaning procedure after PAT deposition can remove the loosely bound drug crystals from the alloy surfaces and thereby allowing the remaining strongly bound drug molecules to be released at a sustained rate. The heat treatment after PAT coating further improved the stability of PAT on Co–Cr alloy and allowed the drug to be delivered at a much slower rate, especially during the initial 7 days. The specimens which were not cleaned in ethanol, Groups C and D, showed burst release. PAT coated Co–Cr alloy specimens were thoroughly characterized using scanning electron microscopy, atomic force microscopy, and X-ray photoelectron spectroscopy. These techniques were collectively useful in studying the morphology, distribution, and attachment of PAT molecules on Co–Cr alloy surfaces. Thus, this study suggests the potential for delivering paclitaxel from Co–Cr alloy surfaces without using any carriers. PMID:20398928

Stiffness-constant variation in nickel-based alloys: Experiment and theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hennion, M.; Hennion, B.

1979-01-01

Recent measurements of the spin-wave stiffness constant in several nickel alloys at various concentrations are interpreted within a random-phase approximation, coherent-potential approximation (RPA-CPA) band model which uses the Hartree-Fock approximation to treat the intraatomic correlations. We give a theoretical description of the possible impurity states in the Hartree-Fock approximation. This allows the determination of the Hartree-Fock solutions which can account for the stiffness-constant behavior and the magnetic moment on the impurity for all the investigated alloys. For alloys such as NiCr, NiV, NiMo, and NiRu, the magnetizations of which deviate from the Slater-Pauling curve, our determination does not correspond tomore » previous works and is consequently discussed. The limits of the model appear mainly due to local-environment effects; in the case of NiMn, it is found that a ternary-alloy model with some Mn atoms in the antiferromagnetic state can account for both stiffness-constant and magnetization behaviors.« less

Experiments and Model for Serration Statistics in Low-Entropy, Medium-Entropy, and High-Entropy Alloys

DOE PAGES

Carroll, Robert; Lee, Chi; Tsai, Che-Wei; ...

2015-11-23

In this study, high-entropy alloys (HEAs) are new alloys that contain five or more elements in roughly-equal proportion. We present new experiments and theory on the deformation behavior of HEAs under slow stretching (straining), and observe differences, compared to conventional alloys with fewer elements. For a specific range of temperatures and strain-rates, HEAs deform in a jerky way, with sudden slips that make it difficult to precisely control the deformation. An analytic model explains these slips as avalanches of slipping weak spots and predicts the observed slip statistics, stress-strain curves, and their dependence on temperature, strain-rate, and material composition. Themore » ratio of the weak spots’ healing rate to the strain-rate is the main tuning parameter, reminiscent of the Portevin- LeChatellier effect and time-temperature superposition in polymers. Our model predictions agree with the experimental results. The proposed widely-applicable deformation mechanism is useful for deformation control and alloy design.« less

Bioactive Titanate Layers Formed on Titanium and Its Alloys by Simple Chemical and Heat Treatments

PubMed Central

Kokubo, Tadashi; Yamaguchi, Seiji

2015-01-01

To reveal general principles for obtaining bone-bonding bioactive metallic titanium, Ti metal was heat-treated after exposure to a solution with different pH. The material formed an apatite layer at its surface in simulated body fluid when heat-treated after exposure to a strong acid or alkali solution, because it formed a positively charged titanium oxide and negatively charged sodium titanate film on its surface, respectively. Such treated these Ti metals tightly bonded to living bone. Porous Ti metal heat-treated after exposure to an acidic solution exhibited not only osteoconductive, but also osteoinductive behavior. Porous Ti metal exposed to an alkaline solution also exhibits osteoconductivity as well as osteoinductivity, if it was subsequently subjected to acid and heat treatments. These acid and heat treatments were not effective for most Ti-based alloys. However, even those alloys exhibited apatite formation when they were subjected to acid and heat treatment after a NaOH treatment, since the alloying elements were removed from the surface by the latter. The NaOH and heat treatments were also not effective for Ti-Zr-Nb-Ta alloys. These alloys displayed apatite formation when subjected to CaCl2 treatment after NaOH treatment, forming Ca-deficient calcium titanate at their surfaces after subsequent heat and hot water treatments. The bioactive Ti metal subjected to NaOH and heat treatments has been clinically used as an artificial hip joint material in Japan since 2007. A porous Ti metal subjected to NaOH, HCl and heat treatments has successfully undergone clinical trials as a spinal fusion device. PMID:25893014

International Conference on Martensitic Transformations (ICOMAT 92)

DTIC Science & Technology

1993-03-05

impurities. 43 ! 12. On the Constitutive Relations for 6 to x Martensitic Transformation Plasticity in Plutonium Alloys I Paul H. Adler and Gregory B...Olson A constitutive model for transformation plasticity based on isothermal martensitic kinetics is applied to the 6-4a transformation in Pu alloys...Tle I model is in good agreement with available data for 6-4a transformation plasticity behavicr of PuGa alloys in uniaxial compression as a function of

Development and Characterization of High Performance Shape Memory Alloy Coatings for Structural Aerospace Applications.

PubMed

Exarchos, Dimitrios A; Dalla, Panagiota T; Tragazikis, Ilias K; Dassios, Konstantinos G; Zafeiropoulos, Nikolaos E; Karabela, Maria M; De Crescenzo, Carmen; Karatza, Despina; Musmarra, Dino; Chianese, Simeone; Matikas, Theodore E

2018-05-18

This paper presents an innovative approach, which enables control of the mechanical properties of metallic components by external stimuli to improve the mechanical behavior of aluminum structures in aeronautical applications. The approach is based on the exploitation of the shape memory effect of novel Shape Memory Alloy (SMA) coatings deposited on metallic structural components, for the purpose of relaxing the stress of underlying structures by simple heating at field-feasible temperatures, therefore enhancing their structural integrity and increasing their stiffness and rigidity while allowing them to withstand expected loading conditions safely. Numerical analysis provided an insight in the expected response of the SMA coating and of the SMA-coated element, while the dependence of alloy composition and heat treatment on the experienced shape memory effect were investigated experimentally. A two-phase process is proposed for deposition of the SMA coating in an order that induces beneficial stress relaxation to the underlying structure through the shape memory effect.

Electron Diffraction Evidence for the Ordering of Excess Nickel Atoms by Relation to Stoichiometry in Nickel-Rich Beta'-Nial Formation of a Nickel-Aluminum (Ni2al) Superlattices

NASA Technical Reports Server (NTRS)

Reynaud, F.

1988-01-01

In electron diffraction patterns of nickel-rich beta-NiAl alloys, many anomalies are observed. One of these is the appearance of diffuse intensity maxima between the reflexions of the B2 structure. This is explained by the short-range ordering of the excess nickel atoms on the simple cubic sublattice occupied only by aluminum atoms in the stoichiometric, perfectly ordered NiAl alloy. After annealing Ni 37.5 atomic percent Al and Ni 37.75 atomic percent Al for 1 week at 300 and 400 C, the diffuse intensity maxima transformed into sharp superstructure reflexions. These reflexions are explained by the formation of the four possible variants of an ordered hexagonal superstructure corresponding to the Ni2Al composition. This structure is closely related to the Ni2Al3 structure (same space group) formed by the ordering of vacancies on the nickel sublattice in aluminum-rich beta-NiAl alloys.

Development and Characterization of High Performance Shape Memory Alloy Coatings for Structural Aerospace Applications

PubMed Central

Exarchos, Dimitrios A.; Dalla, Panagiota T.; Tragazikis, Ilias K.; Zafeiropoulos, Nikolaos E.; Karabela, Maria M.; De Crescenzo, Carmen; Karatza, Despina; Matikas, Theodore E.

2018-01-01

This paper presents an innovative approach, which enables control of the mechanical properties of metallic components by external stimuli to improve the mechanical behavior of aluminum structures in aeronautical applications. The approach is based on the exploitation of the shape memory effect of novel Shape Memory Alloy (SMA) coatings deposited on metallic structural components, for the purpose of relaxing the stress of underlying structures by simple heating at field-feasible temperatures, therefore enhancing their structural integrity and increasing their stiffness and rigidity while allowing them to withstand expected loading conditions safely. Numerical analysis provided an insight in the expected response of the SMA coating and of the SMA-coated element, while the dependence of alloy composition and heat treatment on the experienced shape memory effect were investigated experimentally. A two-phase process is proposed for deposition of the SMA coating in an order that induces beneficial stress relaxation to the underlying structure through the shape memory effect. PMID:29783626

Preisach modeling of piezoceramic and shape memory alloy hysteresis

NASA Astrophysics Data System (ADS)

Hughes, Declan; Wen, John T.

1997-06-01

Smart materials such as piezoceramics, magnetostrictive materials, and shape memory alloys exhibit hysteresis, and the larger the input signal the larger the effect. Hysteresis can lead to unwanted harmonics, inaccuracy in open loop control, and instability in closed loop control. The Preisach independent domain hysteresis model has been shown to capture the major features of hysteresis arising in ferromagnetic materials. Noting the similarity between the microscopic domain kinematics that generate static hysteresis effects in ferromagnetics, piezoceramics, and shape memory alloys (SMAs), we apply the Preisach model for the hysteresis in piezoceramic and shape memory alloy materials. This paper reviews the basic properties of the Preisach model, discusses control-theoretic issues such as identification, simulation, and inversion, and presents experimental results for piezoceramic sheet actuators bonded to a flexible aluminum beam, and a Nitinol SMA wire muscle that applies a bending force to the end of a beam.

Preisach modeling of piezoceramic and shape memory alloy hysteresis

NASA Astrophysics Data System (ADS)

Hughes, Declan C.; Wen, John T.

1996-05-01

Smart materials such as piezoceramics, magnetostrictive materials, and shape memory alloys exhibit significant hysteresis, especially when driven with large input signals. Hysteresis can lead to unwanted harmonics, inaccuracy in open loop control, and instability in closed loop control. The Preisach independent domain hysteresis model has been shown to capture the major features of hysteresis arising in ferromagnetic materials. Noting the similarity between the microscopic domain kinematics that generate static hysteresis effects in ferromagnetics, piezoceramics, and shape memory alloys, we apply the Preisach model for the hysteresis in piezoceramic and shape memory alloy materials. This paper reviews the basic properties of the Preisach model, discusses control-theoretic issues such as identification, simulation, and inversion, and presents experimental results for piezoceramic sheet actuators bonded to a flexible aluminum beam, and a Nitinol SMA wire muscle that applies a bending force to the end of a beam.

Alloy Effects on the Gas Nitriding Process

NASA Astrophysics Data System (ADS)

Yang, M.; Sisson, R. D.

2014-12-01

Alloy elements, such as Al, Cr, V, and Mo, have been used to improve the nitriding performance of steels. In the present work, plain carbon steel AISI 1045 and alloy steel AISI 4140 were selected to compare the nitriding effects of the alloying elements in AISI 4140. Fundamental analysis is carried out by using the "Lehrer-like" diagrams (alloy specific Lehrer diagram and nitriding potential versus nitrogen concentration diagram) and the compound layer growth model to simulate the gas nitriding process. With this method, the fundamental understanding for the alloy effect based on the thermodynamics and kinetics becomes possible. This new method paves the way for the development of new alloy for nitriding.

A detailed investigation of the strain hardening response of aluminum alloyed Hadfield steel

NASA Astrophysics Data System (ADS)

Canadinc, Demircan

The unusual strain hardening response exhibited by Hadfield steel single and polycrystals under tensile loading was investigated. Hadfield steel, which deforms plastically through the competing mechanisms slip and twinning, was alloyed with aluminum in order to suppress twinning and study the role of slip only. To avoid complications due to a grained structure, only single crystals of the aluminum alloyed Hadfield steel were considered at the initial stage of the current study. As a result of alloying with aluminum, twinning was suppressed; however a significant increase in the strain hardening response was also present. A detailed microstructural analysis showed the presence of high-density dislocation walls that evolve in volume fraction due to plastic deformation and interaction with slip systems. The very high strain hardening rates exhibited by the aluminum alloyed Hadfield steel single crystals was attributed to the blockage of glide dislocations by the high-density dislocation walls. A crystal plasticity model was proposed, that accounts for the volume fraction evolution and rotation of the dense dislocation walls, as well as their interaction with the active slip systems. The novelty of the model lies in the simplicity of the constitutive equations that define the strain hardening, and the fact that it is based on experimental data regarding the microstructure. The success of the model was tested by its application to different crystallographic orientations, and finally the polycrystals of the aluminum alloyed Hadfield steel. Meanwhile, the capability of the model to predict texture was also observed through the rotation of the loading axis in single crystals. The ability of the model to capture the polycrystalline deformation response provides a venue for its utilization in other alloys that exhibit dislocation sheet structures.

Damage Mechanics Model Development for Monocrystalline Superalloys (PREPRINT)

DTIC Science & Technology

2010-02-01

ferrite , austenite, martensite , and pearlite) colonies in alloy steels [17-20]  the structure of pitch-based carbon foams [21]  the γ-γ...reinforced metal-matrix composites [15, 16]  microstructure (cementite, ferrite , austenite, martensite , and pearlite) colonies in alloy steels [17-20... alloys [11, 12], and Pb-Sn alloys [13, 14]  reinforcement particle for particle -reinforced metal-matrix composites [15, 16] 

An alternate to chromate conversion coatings for the corrosion protection of aluminum 2024-T3

NASA Astrophysics Data System (ADS)

Guo, Ruiguang

Corrosion of high-strength aluminum alloys used for airspace application is an expensive and serious problem. The most significant environmental factor contributing to the corrosion of these alloys is water condensed from humid air and contaminated with soluble chloride salts. The Al 2024 series used for aircraft are particularly susceptible to corrosion in aqueous chloride solutions due to alloying constituents such as copper and other impurities. Chromates are efficient inhibitors of corrosion of aluminum in near neutral aqueous environments containing aggressive anions such as chlorides. Usually, aluminum alloys are initially protected by chromate conversion coatings. Additional polymer coatings are sometimes added during exposure to corrosive atmospheres such as marine environments. Although chromate coatings are widely used, they require the use of noxious solutions, so they have always presented effluent disposal problems. There are health and safety concerns over the use of chromates due to their toxicity and carcinogenic nature and, as a consequence, the environmental and health risks associated with the use of such coatings will be restricted in the future. It was these health and safety concerns that led to the development of alternative non-toxic coating processes with comparable adhesion properties and corrosion protection. A variety of process technologies are under development and are vying for acceptance in industrial markets. As an alternate conversion coating, a new titanate conversion coating was systematically researched and developed. Research concentrated on producing passive surfaces from a simple titanate solution using an immersion process. The corrosion resistance of the treated surface has been evaluated using simple, rapid electrochemical techniques as well as a more long-term salt spray test. Passivation by titanate conversion treatment exhibits many similarities to chromate conversion treatment. Based on this study of corrosion protection of the titanate coating formed at different conditions, a possible formation mechanism of a titanate coating is proposed. A conclusion may be drawn that titanate coating seems to be a viable alternative to chromate coatings.

Dwell fatigue in two Ti alloys: An integrated crystal plasticity and discrete dislocation study

NASA Astrophysics Data System (ADS)

Zheng, Zebang; Balint, Daniel S.; Dunne, Fionn P. E.

2016-11-01

It is a well known and important problem in the aircraft engine industry that alloy Ti-6242 shows a significant reduction in fatigue life, termed dwell debit, if a stress dwell is included in the fatigue cycle, whereas Ti-6246 does not; the mechanistic explanation for the differing dwell debit of these alloys has remained elusive for decades. In this work, crystal plasticity modelling has been utilised to extract the thermal activation energies for pinned dislocation escape for both Ti alloys based on independent experimental data. This then allows the markedly different cold creep responses of the two alloys to be captured accurately and demonstrates why the observed near-identical rate sensitivity under non-dwell loading is entirely consistent with the dwell behaviour. The activation energies determined are then utilised within a recently developed thermally-activated discrete dislocation plasticity model to predict the strain rate sensitivities of the two alloys associated with nano-indentation into basal and prism planes. It is shown that Ti-6242 experiences a strong crystallographic orientation-dependent rate sensitivity while Ti-6246 does not which is shown to agree with recently published independent measurements; the dependence of rate sensitivity on indentation slip plane is also well captured. The thermally-activated discrete dislocation plasticity model shows that the incorporation of a stress dwell in fatigue loading leads to remarkable stress redistribution from soft to hard grains in the classical cold dwell fatigue rogue grain combination in alloy Ti-6242, but that no such load shedding occurs in alloy Ti-6246. The key property controlling the behaviour is the time constant of the thermal activation process relative to that of the loading. This work provides the first mechanistic basis to explain why alloy Ti-6242 shows a dwell debit but Ti-6246 does not.

Anisotropy of machine building materials

NASA Technical Reports Server (NTRS)

Ashkenazi, Y. K.

1981-01-01

The results of experimental studies of the anisotropy of elastic and strength characteristics of various structural materials, including pressure worked metals and alloys, laminated fiberglass plastics, and laminated wood plastics, are correlated and classified. Strength criteria under simple and complex stresses are considered as applied to anisotropic materials. Practical application to determining the strength of machine parts and structural materials is discussed.

Corrosion protective coating for metallic materials

DOEpatents

Buchheit, R.G.; Martinez, M.A.

1998-05-26

Corrosion protective coatings for metallic materials, particularly aluminum and aluminum alloys, produced with simple, low-cost equipment and materials other than toxic metals or metal salts, or metal cyanides is disclosed. The metallic material is cleaned, degreased, and deoxidized, the surface is converted to a substantially alkaline condition, and the surface is chemically sealed with inorganic metal compounds. 1 fig.

Turbine blade processing

NASA Technical Reports Server (NTRS)

1975-01-01

Space processing of directionally solidified eutectic-alloy type turbine blades is envisioned as a simple remelt operations in which precast blades are remelted in a preformed mold. Process systems based on induction melting, continuous resistance furnaces, and batch resistance furnaces were evaluated. The batch resistance furnace type process using a multiblade mold is considered to offer the best possibility for turbine blade processing.

Modeling Early-Stage Processes of U-10 Wt.%Mo Alloy Using Integrated Computational Materials Engineering Concepts

NASA Astrophysics Data System (ADS)

Wang, Xiaowo; Xu, Zhijie; Soulami, Ayoub; Hu, Xiaohua; Lavender, Curt; Joshi, Vineet

2017-12-01

Low-enriched uranium alloyed with 10 wt.% molybdenum (U-10Mo) has been identified as a promising alternative to high-enriched uranium. Manufacturing U-10Mo alloy involves multiple complex thermomechanical processes that pose challenges for computational modeling. This paper describes the application of integrated computational materials engineering (ICME) concepts to integrate three individual modeling components, viz. homogenization, microstructure-based finite element method for hot rolling, and carbide particle distribution, to simulate the early-stage processes of U-10Mo alloy manufacture. The resulting integrated model enables information to be passed between different model components and leads to improved understanding of the evolution of the microstructure. This ICME approach is then used to predict the variation in the thickness of the Zircaloy-2 barrier as a function of the degree of homogenization and to analyze the carbide distribution, which can affect the recrystallization, hardness, and fracture properties of U-10Mo in subsequent processes.

A combined APT and SANS investigation of α' phase precipitation in neutron-irradiated model FeCrAl alloys

DOE PAGES

Briggs, Samuel A.; Edmondson, Philip D.; Littrell, Kenneth C.; ...

2017-03-01

Here, FeCrAl alloys are currently under consideration for accident-tolerant fuel cladding applications in light water reactors owing to their superior high-temperature oxidation and corrosion resistance compared to the Zr-based alloys currently employed. However, their performance could be limited by precipitation of a Cr-rich α' phase that tends to embrittle high-Cr ferritic Fe-based alloys. In this study, four FeCrAl model alloys with 10–18 at.% Cr and 5.8–9.3 at.% Al were neutron-irradiated to nominal damage doses up to 7.0 displacements per atom at a target temperature of 320 °C. Small angle neutron scattering techniques were coupled with atom probe tomography to assessmore » the composition and morphology of the resulting α' precipitates. It was demonstrated that Al additions partially destabilize the α' phase, generally resulting in precipitates with lower Cr contents when compared with binary Fe-Cr systems. The precipitate morphology evolution with dose exhibited a transient coarsening regime akin to previously observed behavior in aged Fe-Cr alloys. Similar behavior to predictions of the LSW/UOKV models suggests that α' precipitation in irradiated FeCrAl is a diffusion-limited process with coarsening mechanisms similar to those in thermally aged high-Cr ferritic alloys.« less

Effect of nickel on point defects diffusion in Fe – Ni alloys

DOE PAGES

Anento, Napoleon; Serra, Anna; Osetsky, Yury N.

2017-05-05

Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the additionmore » of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.« less

Evolution of Nano-structured Quasicrystals from Amorphous alloys

NASA Astrophysics Data System (ADS)

Xing, L. Q.; Kelton, K. F.

2002-03-01

Ta shows a significant effect on the precipitation of quasicrystals in (Zr_1-xTa_x)_64Cu_18Ni_8Al_10 amorphous alloys. The amorphous alloy made without Ta forms precipitates of tetragonal Zr_2Cu primary phases upon annealing. The addition of a small amount of Ta ( ~ 3 at%) to the alloy initiates the precipitation of primary icosahedral quasicrystal phases. Moreover, as the Ta concentration increases, the size of the precipitates decreases dramatically. To study the effect of Ta in this alloy system and to understand the mechanism for the precipitation of nano-structured quasicrystals, we have investigated the crystallization characteristics of the alloys made with different Ta concentration using DSC, checked the structures of the annealed samples with TEM and X-ray diffraction, and analyzed the kinetics of the crystallization processes. The kinetic parameter and the measured crystal size distribution will be compared with theoretical predictions from conventional nucleation and growth model and from a new model for nucleation that couples the long-range diffusion flux with the interfacial attachment processes.

Surface Segregation in Multicomponent Systems: Modeling of Surface Alloys and Alloy Surfaces

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ferrante, John; Noebe, Ronald D.; Good, Brian; Honecy, Frank S.; Abel, Phillip

1999-01-01

The study of surface segregation, although of great technological importance, has been largely restricted to experimental work due to limitations associated with theoretical methods. However, recent improvements in both first-particle and semi-empirical methods are opening, the doors to an array of new possibilities for surface scientists. We apply one of these techniques, the Bozzolo, Ferrante and Smith (BFS) method for alloys, which is particularly suitable for complex systems, to several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces, and the formation of surface alloys. We conclude with the study of complex NiAl-based binary, ternary and quaternary thin films (with Ti, Cr and Cu additions to NiAl). Differences and similarities between bulk and surface compositions are discussed, illustrated by the results of Monte Carlo simulations. For some binary and ternary cases, the theoretical predictions are compared to experimental results, highlighting the accuracy and value of this developing theoretical tool.

Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Kai; Fan, Meng; Liu, Yanhui

When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate R{sub c}, the crystalline state is bypassed and a metastable, amorphous glassy state forms instead. R{sub c} (or the corresponding critical casting thickness d{sub c}) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small R{sub c} < 10{sup −2} K/s, pure metals and most alloys are typically poor glass-formers with large R{sub c} > 10{sup 10} K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with R{sub c} approachingmore » that for silica. Recent simulations have shown that simple, hard-sphere models are able to identify the atomic size ratio and number fraction regime where BMGs exist with critical cooling rates more than 13 orders of magnitude smaller than those for pure metals. However, there are a number of other features of interatomic potentials beyond hard-core interactions. How do these other features affect the glass-forming ability of BMGs? In this manuscript, we perform molecular dynamics simulations to determine how variations in the softness and non-additivity of the repulsive core and form of the interatomic pair potential at intermediate distances affect the GFA of binary alloys. These variations in the interatomic pair potential allow us to introduce geometric frustration and change the crystal phases that compete with glass formation. We also investigate the effect of tuning the strength of the many-body interactions from zero to the full embedded atom model on the GFA for pure metals. We then employ the full embedded atom model for binary BMGs and show that hard-core interactions play the dominant role in setting the GFA of alloys, while other features of the interatomic potential only change the GFA by one to two orders of magnitude. Despite their perturbative effect, understanding the detailed form of the intermetallic potential is important for designing BMGs with cm or greater casting thickness.« less

A model for ferromagnetic shape memory thin film actuators

NASA Astrophysics Data System (ADS)

Lee, Kwok-Lun; Seelecke, Stefan

2005-05-01

The last decade has witnessed the discovery of materials combining shape memory behavior with ferromagnetic properties (FSMAs), see James & Wuttig1, James et al.2, Ullakko et al.3. These materials feature the so-called giant magnetostrain effect, which, in contrast to conventional magnetostriction is due motion of martensite twins. This effect has motivated the development of a new class of active materials transducers, which combine intrinsic sensing capabilities with superior actuation speed and improved efficiency when compared to conventional shape memory alloys. Currently, thin film technology is being developed intensively in order to pave the way for applications in micro- and nanotechnology. As an example, Kohl et al., recently proposed a novel actuation mechanism based on NiMnGa thin film technology, which makes use of both the ferromagnetic transition and the martensitic transformation allowing the realization of an almost perfect antagonism in a single component part. The implementation of the mechanism led to the award-winning development of an optical microscanner. Possible applications in nanotechnology arise, e.g., by combination of smart NiMnGa actuators with scanning probe technologies. The key aspect of Kohl's device is the fact that it employs electric heating for actuation, which requires a thermo-magneto-mechanical model for analysis. The research presented in this paper aims at the development of a model that simulates this particular material behavior. It is based on ideas originally developed for conventional shape memory alloy behavior, (Mueller & Achenbach, Achenbach, Seelecke, Seelecke & Mueller) and couples it with a simple expression for the nonlinear temperature- and position-dependent effective magnetic force. This early and strongly simplified version does not account for a full coupling between SMA behavior and ferromagnetism yet, and does not incorporate the hysteretic character of the magnetization phenomena either. It can however be used to explain the basic actuation mechanism and highlight the role of coupled magnetic and martensitic transformation with respect to the actuator performance. In particular will we be able to develop guidelines for desirable alloy compositions, such that the resulting transition temperatures guarantee optimized actuator performance.

Printability of alloys for additive manufacturing

PubMed Central

Mukherjee, T.; Zuback, J. S.; De, A.; DebRoy, T.

2016-01-01

Although additive manufacturing (AM), or three dimensional (3D) printing, provides significant advantages over existing manufacturing techniques, metallic parts produced by AM are susceptible to distortion, lack of fusion defects and compositional changes. Here we show that the printability, or the ability of an alloy to avoid these defects, can be examined by developing and testing appropriate theories. A theoretical scaling analysis is used to test vulnerability of various alloys to thermal distortion. A theoretical kinetic model is used to examine predisposition of different alloys to AM induced compositional changes. A well-tested numerical heat transfer and fluid flow model is used to compare susceptibilities of various alloys to lack of fusion defects. These results are tested and validated with independent experimental data. The findings presented in this paper are aimed at achieving distortion free, compositionally sound and well bonded metallic parts. PMID:26796864

Thermodynamic modeling and experimental validation of the Fe-Al-Ni-Cr-Mo alloy system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teng, Zhenke; Zhang, F; Miller, Michael K

2012-01-01

NiAl-type precipitate-strengthened ferritic steels have been known as potential materials for the steam turbine applications. In this study, thermodynamic descriptions of the B2-NiAl type nano-scaled precipitates and body-centered-cubic (BCC) Fe matrix phase for four alloys based on the Fe-Al-Ni-Cr-Mo system were developed as a function of the alloy composition at the aging temperature. The calculated phase structure, composition, and volume fraction were validated by the experimental investigations using synchrotron X-ray diffraction and atom probe tomography. With the ability to accurately predict the key microstructural features related to the mechanical properties in a given alloy system, the established thermodynamic model inmore » the current study may significantly accelerate the alloy design process of the NiAl-strengthened ferritic steels.« less

Superior Ballistic Impact Resistance Achieved by the Co-Base Alloy Haynes 25

NASA Technical Reports Server (NTRS)

Hebsur, Mohan G.; Noebe, Ronald D.; Revilock, Duane M.

2003-01-01

The fan case in a jet engine is required to contain a fan blade in the rare event of a blade loss during operation. Because of its function, the fan case is the largest structural component in high-bypass-ratio turbofan engines used in commercial aircraft. Therefore, the use of lighter and stronger materials would be advantageous in most engines and is practically a necessity in the latest generation of high-bypass engines. Small panels, 7 in. wide by 7 in. long, of a number of metallic alloys were impact tested at room temperature with a 0.50-caliber blunt-nose titanium alloy projectile at the NASA Glenn Research Center (ref. 1). These metallic systems included several high-strength aluminum (Al) alloys, Al-based laminates, aluminum metal matrix composites (Al-MMCs), nickel-base superalloys (Inconel 718 and 625), several titanium (Ti) alloys in different heat treated conditions, 304L stainless steel, a stainless-steel-based laminate, and a high strength steel (Nitronic 60). It was determined that a simple Co-base alloy (Haynes 25) had the best impact resistance on an areal weight basis. Haynes 25 was at least 10 percent better than IMI 550, the best titanium alloy tested to date, and it was far superior to other metals, especially at higher impact velocities (greater than 1100 ft/sec). Because this material could be ideal for fan containment applications in supersonic aircraft as a replacement for titanium, impact tests were also conducted at 371 oC and compared with results from alloys tested at elevated temperature under previous programs (i.e., Inconel 718, Ti-6242, M-152, Timetal 21S, and Aeromet 100). Although cobalt-base alloys are used in some high-temperature engine applications, to our knowledge they are not used in any containment systems. Advantages of cobalt over titanium include lower cost, easier processing, better high-temperature strength, and no fire hazard if tip rub occurs. Future plans include testing of lightweight sandwich panels with Haynes 25 as a core material in the form of a foam or lattice block structure and scaling up the current tests by using blade-simulating projectiles impacting large plates and half rings.

Modeling of Microstructure Evolution During the Thermomechanical Processing of Titanium Alloys (Preprint)

DTIC Science & Technology

2008-07-01

Tailoring the Properties of Aluminum and Titanium Alloys", Deformation, Processing, and Structure , G. Krauss, ed., ASM International, Materials Park, OH...1984, pp. 279-354. 51. G.W. Kuhlman, "A Critical Appraisal of Thermomechanical Processing of Structural Titanium Alloys", Microstructure/ Property ... titanium alloys is heavily dependent on the allotropic transformation from a hexagonal-close-packed crystal structure (denoted as alpha phase) found at

Microstructure Evolution in the Presence of Constraints and Implications on the Properties of Mg - Li and Nb - Al Composites

DTIC Science & Technology

1991-05-30

alloys and composites Solidification experiments with Succinonitrile-acetone system Experimerts with Salol I Directional Solidification of Mg-Li alloys ...Directional Solidification of Mg-Li Composites Microstructural Analysis and Modeling Combustion Synthesis Principles ( theory ) Nb-AI alloys made by...Combustion Synthesis Nb-AI - NbB composites made by Combustion Synthesis Directional Solidification of Nb-AI Alloys Directional Solidification of Nb- Al

MD simulations of phase stability of PuGa alloys: Effects of primary radiation defects and helium bubbles

DOE PAGES

Dremov, V. V.; Sapozhnikov, F. A.; Ionov, G. V.; ...

2013-05-14

We present classical molecular dynamics (MD) with Modified Embedded Atom Model (MEAM) simulations to investigate the role of primary radiation defects and radiogenic helium as factors affecting the phase stability of PuGa alloys in cooling–heating cycles at ambient pressure. The models of PuGa alloys equilibrated at ambient conditions were subjected to cooling–heating cycles in which they were initially cooled down to 100 K and then heated up to 500 K at ambient pressure. The rate of temperature change in the cycles was 10 K/ns. The simulations showed that the initial FCC phase of PuGa alloys undergo polymorphous transition in coolingmore » to a lower symmetry α'-phase. All the alloys undergo direct and reverse polymorphous transitions in the cooling–heating cycles. The alloys containing vacancies shift in both transitions to lower temperatures relative to the defect-free alloys. The radiogenic helium has much less effect on the phase stability compared to that of primary radiation defects (in spite of the fact that helium concentration is twice of that for the primary radiation defects). Lastly, this computational result agrees with experimental data on unconventional stabilization mechanism of PuGa alloys.« less

A dislocation density based micromechanical constitutive model for Sn-Ag-Cu solder alloys

NASA Astrophysics Data System (ADS)

Liu, Lu; Yao, Yao; Zeng, Tao; Keer, Leon M.

2017-10-01

Based on the dislocation density hardening law, a micromechanical model considering the effects of precipitates is developed for Sn-Ag-Cu solder alloys. According to the microstructure of the Sn-3.0Ag-0.5Cu thin films, intermetallic compounds (IMCs) are assumed as sphere particles embedded in the polycrystalline β-Sn matrix. The mechanical behavior of polycrystalline β-Sn matrix is determined by the elastic-plastic self-consistent method. The existence of IMCs not only impedes the motion of dislocations but also increases the overall stiffness. Thus, a dislocation density based hardening law considering non-shearable precipitates is adopted locally for single β-Sn crystal, and the Mori-Tanaka scheme is applied to describe the overall viscoplastic behavior of solder alloys. The proposed model is incorporated into finite element analysis and the corresponding numerical implementation method is presented. The model can describe the mechanical behavior of Sn-3.0Ag-0.5Cu and Sn-1.0Ag-0.5Cu alloys under high strain rates at a wide range of temperatures. Furthermore, the overall Young’s modulus changes due to different contents of IMCs is predicted and compared with experimental data. Results show that the proposed model can describe both elastic and inelastic behavior of solder alloys with reasonable accuracy.

Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

NASA Technical Reports Server (NTRS)

Daw, Murray S.; Mills, Michael J.

2003-01-01

We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

Microstructure Modeling of 3rd Generation Disk Alloy

NASA Technical Reports Server (NTRS)

Jou, Herng-Jeng

2008-01-01

The objective of this initiative, funded by NASA's Aviation Safety Program, is to model, validate, and predict, with high fidelity, the microstructural evolution of third-generation high-refractory Ni-based disc superalloys during heat treating and service conditions. This initiative is a natural extension of the DARPA-AIM (Accelerated Insertion of Materials) initiative with GE/Pratt-Whitney and with other process simulation tools. Strong collaboration with the NASA Glenn Research Center (GRC) is a key component of this initiative and the focus of this program is on industrially relevant disk alloys and heat treatment processes identified by GRC. Employing QuesTek s Computational Materials Dynamics technology and PrecipiCalc precipitation simulator, physics-based models are being used to achieve high predictive accuracy and precision. Combining these models with experimental data and probabilistic analysis, "virtual alloy design" can be performed. The predicted microstructures can be optimized to promote desirable features and concurrently eliminate nondesirable phases that can limit the reliability and durability of the alloys. The well-calibrated and well-integrated software tools that are being applied under the proposed program will help gas turbine disk alloy manufacturers, processing facilities, and NASA, to efficiently and effectively improve the performance of current and future disk materials.

Advanced Materials and Processing 2010

NASA Astrophysics Data System (ADS)

Zhang, Yunfeng; Su, Chun Wei; Xia, Hui; Xiao, Pengfei

2011-06-01

Strain sensors made from MWNT/polymer nanocomposites / Gang Yin, Ning Hu and Yuan Li -- Shear band evolution and nanostructure formation in titanium by cold rolling / Dengke Yang, Peter D. Hodgson and Cuie Wen -- Biodegradable Mg-Zr-Ca alloys for bone implant materials / Yuncang Li ... [et al.] -- Hydroxyapatite synthesized from nanosized calcium carbonate via hydrothermal method / Yu-Shiang Wu, Wen-Ku Chang and Min Jou -- Modeling of the magnetization process and orthogonal fluxgate sensitivity of ferromagnetic micro-wire arrays / Fan Jie ... [et al.] -- Fabrication of silicon oxide nanowires on Ni coated silicon substrate by simple heating process / Bo Peng and Kwon-Koo Cho -- Deposition of TiOxNy thin films with various nitrogen flow rate: growth behavior and structural properties / S.-J. Cho ... [et al.] -- Observation on photoluminescence evolution in 300 KeV self-ion implanted and annealed silicon / Yu Yang ... [et al.] -- Facile synthesis of lithium niobate from a novel precursor H[symbol] / Meinan Liu ... [et al.] -- Effects of the buffer layers on the adhesion and antimicrobial properties of the amorphous ZrAlNiCuSi films / Pai-Tsung Chiang ... [et al.] -- Fabrication of ZnO nanorods by electrochemical deposition process and its photovoltaic properties / Jin-Hwa Kim ... [et al.] -- Cryogenic resistivities of NbTiAlVTaLax, CoCrFeNiCu and CoCrFeNiAl high entropy alloys / Xiao Yang and Yong Zhang -- Modeling of centrifugal force field and the effect on filling and solidification in centrifugal casting / Wenbin Sheng, Chunxue Ma and Wanli Gu -- Electrochemical properties of TiO[symbol] nanotube arrays film prepared by anodic oxidation / Young-Jin Choi ... [et al.] -- Effect of Ce additions on high temperature properties of Mg-5Sn-3Al-1Zn alloy / Byoung Soo Kang ... [et al.] -- Sono-electroless plating of Ni-Mo-P film / Atsushi Chiba, Masato Kanou and Wen-Chang Wu -- Diameter dependence of giant magneto-impedance effect in co-based melt extracted amorphous wires / Shuling Zhang, Dawei Xing and Jianfei Sun -- Effect of Yb addition on the microstructure and tensile properties of Mg-5Al alloy / Su Mi Jo ... [et al.] -- Finite element analysis of the warm deep-drawing process of magnesium matrix composite reinforced with CNTs / Li Weixue and Zhang Hujun -- Effect of ultrasonic shot peening on the microstructural evolution and mechanical properties of SUS304 / Deokgi Ahn ... [et al.] -- Microstructure of Fe-Cr surface infiltrated composite layer on gray iron substrate / Gui-Rong Yang ... [et al.] -- Effect of carbon contents and Ti addition on the microstructure of ultra-low carbon steel / Yinsheng He ... [et al.].Microstructure and mechanical property of laser direct manufacturing metal thin wall cylinder / X. D. Zhang ... [et al.] -- Evolution of morphology and composition of the carbides in Cr-Mo-V steel after service exposure / Jiling Dong ... [et al.] -- Thermal annealing treatment to achieve switchable and reversible wettability on ZnO nanowires surface / Changsong Liu ... [et al.] -- Physical and electrochemical properties of nanostructured nickel sulfide as a cathode material for lithium ion batteries / Seong-Ju Sim ... [et al.] -- Effect of heat treatment on fatigue behavior of biomedical Ni-Ti alloy wires under ultrasonic conditions / Zhou Huimin ... [et al.] -- The electrochemical behavior of Mg-Ce-Zn system / Kyung Chul Park ... [et al.] -- Fabrication of highly-oleophobic and superhydrophobic surfaces on microtextured Al substrates / Changsong Liu ... [et al.] -- Effect of cooling rate on microstructure and properties of Fe3Al intermetallics / Li Ya-Min, Liu Hong-Jun and Hao Yuan -- Calculation of laser transformation hardening with a circle beam / Binggong Yan and Jichang Liu -- The application of the unified homogeneous periodical boundary conditions to the prediction of effective elastic stiffness in a widespread field / Dong Yu, Hong Yang and Dong-Mei Luo -- Cyclic visco-plastic behavior of API X80 line-pipe steel and its finite element simulation / Kyong-Ho Chang and Gab-Chul Jang -- Residual stress distribution of 600MPa grade high tensile strength steel pipe using welding FE simulation / Kyong-Ho Chang and Gab-Chul Jang -- In-situ preparation and magnetic properties of Fe[symbol]O[symbol]/wood composite / Honglin Gao ... [et al.] -- The application of the cohesive zone model on the analysis of mechanical properties of carbon nano-tube composites with debonding interface / Wen-Liang Zhu and Dong-Mei Luo -- Microstructures and mechanical properties of As-Cast Mg-Zr-Ca alloys for biomedical applications / Ying-Long Zhou ... [et al.] -- Effect of polyurethane/nano-SiO[symbol] composites coating on thermo-mechanical properties of polyethylene film / Ching Yern Chee and Iskandar Idris Yaacob -- Effects evaluation for different rare earth elements in magnesium-lithium alloy / Bin Jiang ... [et al.] -- Effect of sintering temperature on the structure and bioactivity of HAp-5.0wt.%SO[symbol] bioceramic composites / Xiao-Wu Li ... [et al.] -- Study on the high cycle fatigue property of Ti-600 alloy at ambient temperature / Liying Zeng ... [et al.] -- Study on deformation-induced ferrite transformation of steel 2.25Cr1MoNb / Li Qing-Fen, Zhou Hui-Min and Chen Hong-Bin -- Effect of Fe addition on the cycle performance of FeS2 cathode for Li/FeS[symbol] battery / Young-Jin Choi ... [et al.] -- Effect of annealing process on recrystallization microstructure and texture of low carbon steel strip / Haiyan Wang ... [et al.].Grain-boundary segregation and co-segregation behavior of three elements in steel 2.25Gr1Mo / Wang Jun ... [et al.] -- Effect of partial crystallization on the mechanical properties of [symbol] bulk metallic glass / P. H. Tsai ... [et al.] -- Influence of plastic deformation on the evolution of defect structures, microhardness and electrical conductivity of copper / Jingmei Tao ... [et al.] -- Microstructure and room temperature mechanical properties of the Ni[symbol]Si-based alloy with titanium addition / S. K. Wang ... [et al.] -- Improvement of magnetic properties and size of directly casted Nd-Fe-B bulk magnets by Ti/Zr cosubstitutions / H. W. Chang ... [et al.] -- Wear behavior of the ceramic coatings on the Al6061 alloy prepared by plasma electrolytic oxidation / Jin Long Bian ... [et al.] -- Hydrogels with rapid thermal-responsibility by using liquid crystallite as template / Qingsong Zhang ... [et al.] -- The effects of TiO[symbol] buffer layer in carbon nanotubes growth on Ti substrate by thermal chemical vapor deposition and their electrochemical properties / Yong-Hwan Gwon ... [et al.] -- Phase transfer catalytic synthesis of 4-Benzyloxyl-3-Methoxylbenzaldehyde-Copolystyrene resin / Qiang Huang and Baozhong Zheng -- Compressive behaviour of nanocrystallilne Mg-5%Al alloys / H. Diao ... [et al.] -- Predicting the formation enthalpies of Al-Ga-In, Al-Ga-Sn, Cd-Ga-Sn and Ga-Sn-Zn liquid alloys by molecular interaction volume model / Hongwei Yang, Dongping Tao and Qingmei Yuan -- Low-temperature preparation and properties of high activity anatase TiO[symbol] aqueous sols / Qingju Liu ... [et al.] -- Effects of Ge mole fraction on electrical characteristics of strained SiGe channel p-MOSFET / Zhou Yang ... [et al.] -- Evaluation of oxidation and mechanical properties of the nano-sized WC-10%Nicrobraz composites consolidated by high frequency induction heated sintering / Duck-Soo Kang ... [et al.] -- Effect of ECAP on the high-temperature compressive deformation behavior of LY12 aluminum alloys / Qing-Wei Jiang ... [et al.] -- Surface energy effect on polymers adhesive bonding at room temperature / Yingxia Jin ... [et al.] -- Annealing effects on selfassembled Ge/Si (100) islands prepared by ion beam sputtering / Jie Yang ... [et al.] -- Effect of Gd on the microstructures and corrosion behaviors of magnesium alloy Mg-8.0Al-1.0Zn / Li Lei, Xie Shuisheng and Huang Guojie -- Synthesis, characterization and sensing properties of Perovskite EuFe[symbol] materials / Huen Kan ... [et al.] -- Synthesis and characterization of Ni(OH)[symbol] nanosheets by a simple route at low temperature / Qian Li ... [et al.] -- The prediction of laser clad parameters based on neural network / Jichang Liu and Libin Ni -- The effects of Y[symbol] doping on the phase structure and photoluminescence properties of (Gd[symbol]) red phosphors / Qi Zhu ... [et al.] -- Design of an in situ detection system for laser hardened width / Caixia Yang and Jichang Liu -- Numerical simulation microstructure morphology evolution and solute microsegregation of Al-Si-Cu ternary alloys during solidification process / Shuisheng Xie ... [et al.].A shear-lag model for carbon nonotube-reinforced magnesium matrix composites / Wei-Xue Li ... [et al.] -- Corrosion behavior of the Alumina Coated Al6061 Alloy by Plasma electrolytic oxidation / Kai Wang ... [et al.] -- A simple route for synthesis of tin dioxide nanorods based on improved solid-state reactions / Yuehua Li ... [et al.] -- Comparative study on microstructure and magnetic properties of amorphous wires with different diameters / Jing-Shun Liu ... [et al.] -- Chemical-Vapor-Depositing (CVD) aluminium film on steel surface with the disproportionation reaction of Al[symbol]S / Wu Guoyuan and Dai Yongnian -- The microstructure and properties of super martensitic stainless steel microalloyed with tungsten and copper / Dong Ye ... [et al.] -- Design of low elastic modulus Ti-Nb-Zr alloys for implant materials / Xiping Song ... [et al.] -- In situ monitoring molten pool parameters for detecting visible defects in laser cladding / Liusha Yang ... [et al.].

Modeling copper precipitation hardening and embrittlement in a dilute Fe-0.3at.%Cu alloy under neutron irradiation

NASA Astrophysics Data System (ADS)

Bai, Xian-Ming; Ke, Huibin; Zhang, Yongfeng; Spencer, Benjamin W.

2017-11-01

Neutron irradiation in light water reactors can induce precipitation of nanometer sized Cu clusters in reactor pressure vessel steels. The Cu precipitates impede dislocation gliding, leading to an increase in yield strength (hardening) and an upward shift of ductile-to-brittle transition temperature (embrittlement). In this work, cluster dynamics modeling is used to model the entire Cu precipitation process (nucleation, growth, and coarsening) in a Fe-0.3at.%Cu alloy under neutron irradiation at 300°C based on the homogenous nucleation mechanism. The evolution of the Cu cluster number density and mean radius predicted by the modeling agrees well with experimental data reported in literature for the same alloy under the same irradiation conditions. The predicted precipitation kinetics is used as input for a dispersed barrier hardening model to correlate the microstructural evolution with the radiation hardening and embrittlement in this alloy. The predicted radiation hardening agrees well with the mechanical test results in the literature. Limitations of the model and areas for future improvement are also discussed in this work.

Environmental fatigue in aluminum-lithium alloys

NASA Technical Reports Server (NTRS)

Piascik, Robert S.

1992-01-01

Aluminum-lithium alloys exhibit similar environmental fatigue crack growth characteristics compared to conventional 2000 series alloys and are more resistant to environmental fatigue compared to 7000 series alloys. The superior fatigue crack growth behavior of Al-Li alloys 2090, 2091, 8090, and 8091 is due to crack closure caused by tortuous crack path morphology and crack surface corrosion products. At high R and reduced closure, chemical environment effects are pronounced resulting in accelerated near threshold da/dN. The beneficial effects of crack closure are minimized for small cracks resulting in rapid growth rates. Limited data suggest that the 'chemically small crack' effect, observed in other alloy system, is not pronounced in Al-Li alloys. Modeling of environmental fatigue in Al-Li-Cu alloys related accelerated fatigue crack growth in moist air and salt water to hydrogen embrittlement.

Phase structuring in metal alloys: Ultrasound-assisted top-down approach to engineering of nanostructured catalytic materials.

PubMed

Cherepanov, Pavel V; Andreeva, Daria V

2017-03-01

High intensity ultrasound (HIUS) is a novel and efficient tool for top-down nanostructuring of multi-phase metal systems. Ultrasound-assisted structuring of the phase in metal alloys relies on two main mechanisms including interfacial red/ox reactions and temperature driven solid state phase transformations which affect surface composition and morphology of metals. Physical and chemical properties of sonication medium strongly affects the structuring pathways as well as morphology and composition of catalysts. HIUS can serve as a simple, fast, and effective approach for the tuning of structure and surface properties of metal particles, opening the new perspectives in design of robust and efficient catalysts. Copyright © 2016 Elsevier B.V. All rights reserved.

Inhibition of hot salt corrosion by metallic additives

NASA Technical Reports Server (NTRS)

Deadmore, D. L.; Lowell, C. E.

1978-01-01

The effectiveness of several potential fuel additives in reducing the effects of sodium sulfate-induced hot corrosion was evaluated in a cyclic Mach 0.3 burner rig. The potential inhibitors examined were salts of Al, Si, Cr, Fe, Zn, Mg, Ca, and Ba. The alloys tested were IN-100, U-700, IN-738, IN-792, Mar M-509, and 304 stainless steel. Each alloy was exposed for 100 cycles of 1 hour each at 900 C in combustion gases doped with the corrodant and inhibitor salts and the extent of attack was determined by measuring maximum metal thickness loss. The most effective and consistent inhibitor additive was Ba (NO3)2 which reduced the hot corrosion attack to nearly that of simple oxidation.

Preparation and Photocatalytic Activity of Potassium-Incorporated Titanium Oxide Nanostructures Produced by the Wet Corrosion Process Using Various Titanium Alloys

PubMed Central

Lee, So Yoon; Lee, Choong Hyun; Kim, Do Yun; Locquet, Jean-Pierre; Seo, Jin Won

2015-01-01

Nanostructured potassium-incorporated Ti-based oxides have attracted much attention because the incorporated potassium can influence their structural and physico-chemical properties. With the aim of tuning the structural and physical properties, we have demonstrated the wet corrosion process (WCP) as a simple method for nanostructure fabrication using various Ti-based materials, namely Ti–6Al–4V alloy (TAV), Ti–Ni (TN) alloy and pure Ti, which have 90%, 50% and 100% initial Ti content, respectively. We have systematically investigated the relationship between the Ti content in the initial metal and the precise condition of WCP to control the structural and physical properties of the resulting nanostructures. The WCP treatment involved various concentrations of KOH solutions. The precise conditions for producing K-incorporated nanostructured titanium oxide films (nTOFs) were strongly dependent on the Ti content of the initial metal. Ti and TAV yielded one-dimensional nanowires of K-incorporated nTOFs after treatment with 10 mol/L-KOH solution, whereas TN required a higher concentration (20 mol/L-KOH solution) to produce comparable nanostructures. The obtained nanostructures revealed a blue-shift in UV absorption spectra due to the quantum confinement effects. A significant enhancement of the photocatalytic activity was observed via the chromomeric change and the intermediate formation of methylene blue molecules under UV irradiation. This study demonstrates the WCP as a simple, versatile and scalable method for the production of nanostructured K-incorporated nTOFs to be used as high-performance photocatalysts for environmental and energy applications. PMID:28347071

Ignition and combustion of lunar propellants

NASA Technical Reports Server (NTRS)

Burton, Rodney L.; Roberts, Ted A.; Krier, Herman

1993-01-01

The ignition and combustion of Al, Mg, and Al/Mg alloy particles in 99 percent O2/1 percent N2 mixtures is investigated at high temperatures and pressures for rocket engine applications. The 20 micron particles contain 0, 5, 10, 20, 40, 60, 80, and 100 weight percent Mg alloyed with Al, and are ignited in oxygen using the reflected shock in a shock tube near the endwall. Using this technique, the ignition delay and combustion times of the particles are measured at temperatures up to 3250 K as a function of Mg content for oxygen pressures of 8.5, 17, and 34 atm. An ignition model is developed which employs a simple lumped capacitance energy equation and temperature and pressure dependent particle and gas properties. Good agreement is achieved between the measured and predicted trends in the ignition delay times. For the particles investigated, the contribution of heterogeneous reaction to the heating of the particle is found to be significant at lower temperatures, but may be neglected as gas temperatures above 3000 K. As little as 10 percent Mg reduces the ignition delay time substantially at all pressures tested. The particle ignition delay times decrease with increasing Mg content, and this reduction becomes less pronounced as oxidizer temperature and pressure are increased.

On Using Homogeneous Polynomials To Design Anisotropic Yield Functions With Tension/Compression Symmetry/Assymetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soare, S.; Cazacu, O.; Yoon, J. W.

With few exceptions, non-quadratic homogeneous polynomials have received little attention as possible candidates for yield functions. One reason might be that not every such polynomial is a convex function. In this paper we show that homogeneous polynomials can be used to develop powerful anisotropic yield criteria, and that imposing simple constraints on the identification process leads, aposteriori, to the desired convexity property. It is shown that combinations of such polynomials allow for modeling yielding properties of metallic materials with any crystal structure, i.e. both cubic and hexagonal which display strength differential effects. Extensions of the proposed criteria to 3D stressmore » states are also presented. We apply these criteria to the description of the aluminum alloy AA2090T3. We prove that a sixth order orthotropic homogeneous polynomial is capable of a satisfactory description of this alloy. Next, applications to the deep drawing of a cylindrical cup are presented. The newly proposed criteria were implemented as UMAT subroutines into the commercial FE code ABAQUS. We were able to predict six ears on the AA2090T3 cup's profile. Finally, we show that a tension/compression asymmetry in yielding can have an important effect on the earing profile.« less

Harvesting Mechanical and Thermal Energy by Combining ZnO Nanowires and NiTi Shape Memory Alloy

DOE PAGES

Radousky, Harry; Qian, Fang; An, Yonghao; ...

2017-02-19

In the expanding world of small scale energy harvesting, the ability to combine thermal and mechanical harvesting is growing ever more important. Here, we demonstrate the feasibility of using ZnO nanowires to harvest both mechanical and low-quality thermal energy in simple, scalable devices. These devices were fabricated on kapton films and used ZnO nanowires with the same growth direction to assure alignment of the piezoelectric potentials of all of the wires. Mechanical harvesting from these devices was demonstrated using a periodic application of force, modeling the motion of the human body. Tapping the device from the top of the devicemore » with a wood stick, for example yielded an Open Circuit Voltage (OCV) of 0.2 - 4 V, which is in an ideal range for device applications. In order to demonstrate thermal harvesting from low quality heat sources, a commercially available Nitinol (Ni-Ti alloy) foil was attached to the nanowire piezoelectric device to create a compound thermoelectric. When bent at room temperature and then heated to 50°C, the Nitinol foil was restored to its original flat shape, which yielded an output voltage of nearly 1 V from the ZnO nanowire device.« less

Harvesting Mechanical and Thermal Energy by Combining ZnO Nanowires and NiTi Shape Memory Alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radousky, Harry; Qian, Fang; An, Yonghao

In the expanding world of small scale energy harvesting, the ability to combine thermal and mechanical harvesting is growing ever more important. Here, we demonstrate the feasibility of using ZnO nanowires to harvest both mechanical and low-quality thermal energy in simple, scalable devices. These devices were fabricated on kapton films and used ZnO nanowires with the same growth direction to assure alignment of the piezoelectric potentials of all of the wires. Mechanical harvesting from these devices was demonstrated using a periodic application of force, modeling the motion of the human body. Tapping the device from the top of the devicemore » with a wood stick, for example yielded an Open Circuit Voltage (OCV) of 0.2 - 4 V, which is in an ideal range for device applications. In order to demonstrate thermal harvesting from low quality heat sources, a commercially available Nitinol (Ni-Ti alloy) foil was attached to the nanowire piezoelectric device to create a compound thermoelectric. When bent at room temperature and then heated to 50°C, the Nitinol foil was restored to its original flat shape, which yielded an output voltage of nearly 1 V from the ZnO nanowire device.« less

Influence of Fluidized Bed Quenching on the Mechanical Properties and Quality Index of T6 Tempered B319.2-Type Aluminum Alloys

NASA Astrophysics Data System (ADS)

Ragab, Kh. A.; Samuel, A. M.; Al-Ahmari, A. M. A.; Samuel, F. H.; Doty, H. W.

2013-11-01

The current study aimed to investigate the effect of fluidized sand bed (FB) quenching on the mechanical performance of B319.2 aluminum cast alloys. Traditional water and conventional hot air (CF) quenching media were used to establish a relevant comparison with FB quenching. Quality charts were generated using two models of quality indices to support the selection of material conditions on the basis of the proposed quality indices. The use of an FB for the direct quenching-aging treatment of B319.2 casting alloys yields greater UTS and YS values compared to conventional furnace quenched alloys. The strength values of T6 tempered B319 alloys are greater when quenched in water compared with those quenched in an FB or CF. For the same aging conditions (170°C/4h), the fluidized bed quenched-aged 319 alloys show nearly the same or better strength values than those quenched in water and then aged in a CF or an FB. Based on the quality charts developed for alloys subjected to different quenching media, higher quality index values are obtained by conventional furnace quenched-aged T6-tempered B319 alloys. The modification factor has the most significant effect on the quality results of the alloys investigated, for all heat treatment cycles, as compared to other metallurgical parameters. The results of alloys subjected to multi-temperature aging cycles reveal that the optimum strength properties of B319.2 alloys, however, is obtained by applying multi-temperature aging cycles such as, for example, 240 °C/2 h followed by 170 °C/8 h, rather than T6 aging treatments. The regression models indicate that the mean quality values of B319 alloys are highly quench sensitive due to the formation of a larger percent of clusters in Al-Si-Cu-Mg alloys. These clusters act as heterogeneous nucleation sites for precipitation and enhance the aging process.

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

NASA Technical Reports Server (NTRS)

Gangloff, Richard P.; Scully, John R.; Stoner, Glenn E.; Thornton, Earl A.; Wawner, Franklin E., Jr.; Wert, John A.

1993-01-01

The NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program continues a high level of activity. Progress achieved between 1 Jan. and 30 Jun. 1993 is reported. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light weight aerospace alloys, composites, and thermal gradient structures in collaboration with NASA-Langley researchers. The following projects are addressed: environmental fatigue of Al-Li-Cu alloys; mechanisms of localized corrosion and environmental fracture in Al-Cu-Li-Mg-Ag alloy X2095 and compositional variations; the effect of zinc additions on the precipitation and stress corrosion cracking behavior of alloy 8090; hydrogen interactions with Al-Li-Cu alloy 2090 and model alloys; metastable pitting of aluminum alloys; cryogenic fracture toughness of Al-Cu-Li + In alloys; the fracture toughness of Weldalite (TM); elevated temperature cracking of advanced I/M aluminum alloys; response of Ti-1100/SCS-6 composites to thermal exposure; superplastic forming of Weldalite (TM); research to incorporate environmental effects into fracture mechanics fatigue life prediction codes such as NASA FLAGRO; and thermoviscoplastic behavior.

Wetting of TiC by Al-Cu alloys and interfacial characterization.

PubMed

Contreras, A

2007-07-01

The wetting behavior and the interfacial reactions that occurred between molten Al-Cu alloys (1, 4, 8, 20, 33, and 100 wt% Cu) and solid TiC substrates were studied by the sessile drop technique in the temperature range of 800-1130 degrees C. The effect of wetting behavior on the interfacial reaction layer was studied. All the Al-Cu alloys react with TiC at the interface forming an extensive reaction layer. The interface thickness varied with the samples, and depends on the temperature, chemical composition of the alloy and the time of the test. Wetting increases with increasing concentration of copper in the Al-Cu alloy at 800 and 900 degrees C. In contrast, at higher temperature such as 1000 degrees C wetting decreases with increasing copper content. The spreading kinetics and the work of adhesion were evaluated. The high values of activation energies indicated that spreading is not a simple viscosity controlled phenomenon but is a chemical reaction process. The spreading of the aluminum drop is observed to occur according to the formation of Al4C3, CuAl2O4, CuAl2, TiCux mainly, leading to a decreases in the contact angle. As the contact angle decreases the work of adhesion increases with increasing temperature. Al-Cu/TiC assemblies showed cohesive fracture corresponding to a strong interface. However, using pure Cu the adhesion work is poor, and the percentage of cohesion work is also too low (27-34%).

A hybrid finite-element and cellular-automaton framework for modeling 3D microstructure of Ti–6Al–4V alloy during solid–solid phase transformation in additive manufacturing

NASA Astrophysics Data System (ADS)

Chen, Shaohua; Xu, Yaopengxiao; Jiao, Yang

2018-06-01

Additive manufacturing such as selective laser sintering and electron beam melting has become a popular technique which enables one to build near-net-shape product from packed powders. The performance and properties of the manufactured product strongly depends on its material microstructure, which is in turn determined by the processing conditions including beam power density, spot size, scanning speed and path etc. In this paper, we develop a computational framework that integrates the finite element method (FEM) and cellular automaton (CA) simulation to model the 3D microstructure of additively manufactured Ti–6Al–4V alloy, focusing on the β → α + β transition pathway in a consolidated alloy region as the power source moves away from this region. Specifically, the transient temperature field resulted from a scanning laser/electron beam following a zig-zag path is first obtained by solving nonlinear heat transfer equations using the FEM. Next, a CA model for the β → α + β phase transformation in the consolidated alloy is developed which explicitly takes into account the temperature dependent heterogeneous nucleation and anisotropic growth of α grains from the parent β phase field. We verify our model by reproducing the overall transition kinetics predicted by the Johnson–Mehl–Avrami–Kolmogorov theory under a typical processing condition and by quantitatively comparing our simulation results with available experimental data. The utility of the model is further demonstrated by generating large-field realistic 3D alloy microstructures for subsequent structure-sensitive micro-mechanical analysis. In addition, we employ our model to generate a wide spectrum of alloy microstructures corresponding to different processing conditions for establishing quantitative process-structure relations for the system.

Equiaxed and columnar dendrite growth simulation in Al-7Si- Mg ternary alloys using cellular automaton method

NASA Astrophysics Data System (ADS)

Chen, Rui; Xu, Qingyan; Liu, Baicheng

2015-06-01

In this paper, a modified cellular automaton (MCA) model allowing for the prediction of dendrite growth of Al-Si-Mg ternary alloys in two and three dimensions is presented. The growth kinetic of S/L interface is calculated based on the solute equilibrium approach. In order to describe the dendrite growth with arbitrarily crystallographic orientations, this model introduces a modified decentered octahedron algorithm for neighborhood tracking to eliminate the effect of mesh dependency on dendrite growth. The thermody namic and kinetic data needed for dendrite growth is obtained through coupling with Pandat software package in combination with thermodynamic/kinetic/equilibrium phase diagram calculation databases. The effect of interactions between various alloying elements on solute diffusion coefficient is considered in the model. This model has first been used to simulate Al-7Si (weight percent) binary dendrite growth followed by a validation using theoretical predictions. For ternary alloy, Al-7Si-0.5Mg dendrite simulation has been carried out and the effects of solute interactions on diffusion matrix as well as the differences of Si and Mg in solute distribution have been analyzed. For actual application, this model has been applied to simulate the equiaxed dendrite growth with various crystallographic orientations of Al-7Si-0.36Mg ternary alloy, and the predicted secondary dendrite arm spacing (SDAS) shows a reasonable agreement with the experimental ones. Furthermore, the columnar dendrite growth in directional solidification has also been simulated and the predicted primary dendrite arm spacing (PDAS) is in good agreement with experiments. The simulated results effectively demonstrate the abilities of the model in prediction of dendritic microstructure of Al-Si-Mg ternary alloy.

Gas Atomization of Molten Metal: Part II. Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abu-Lebdeh, Taher M.; Leon, Genaro Perez-de; Hamoush, Sameer A.

A numerical model was derived to obtain results for two alloys during the Gas Atomization (GA) method. The model equations and governing equations were implemented through the application of part I data. Aspects such as heat transfer, fluid mechanics, thermodynamics and law of motions were taken into account for the formulation of equations that take gas dynamics, droplet dynamics and energy balance or conservation into consideration. The inputs of the model include: Processing parameters such as the size of the droplets, characteristics of the metal alloy, initial temperature of the molten metal, properties and fractions of the atomization gas andmore » the gas pressure. The outputs include velocity and thermal profiles of the droplet and gas. Velocity profiles illustrate the velocity of both droplet and gas, while thermal profiles illustrate cooling rate and the rate of temperature change of the droplets. The alloys are gamma-Titanium Aluminide (γ-TiAl) and Al-3003-O. These alloys were selected due to the vast amount of applications both can have in several industries. Certain processing parameters were held constant, while others were altered. Furthermore, the main focus of this study was to gain insight into which optimal parameters should be utilized within the GA method for these alloys and to provide insight into the behavior of these alloys« less

Creep modeling for life evaluation and strengthening mechanism of tungsten alloyed 9-12% Cr steels

NASA Astrophysics Data System (ADS)

Park, Kyu-Seop; Bae, Dong-Sik; Lee, Sung-Keun; Lee, Goo-Hyun; Kim, Jung-Ho; Endo, Takao

2006-10-01

Recently, high strength tungsten (W) alloyed steels have been developed for use in power plants with higher steam conditions for environmental reasons as well as the improvement of thermal efficiency resulting in lower fuel costs. In order to establish a creep modeling of high strength martensitic steel and to understand the basic role of W in tungsten alloyed 9-12Cr steels, conventional martensitic steels (X20CrMoV121, X20CrMoWV121, and Mod9Cr-1Mo) and tungsten alloyed steels (NF616 and HCM12A) were employed for creep tests and creep behavior analyses by the Ω method. The proposed creep model, which takes into account both primary and tertiary creep, satisfactorily described the creep curves and accurately predicted creep life, as martensitic steel undergoes a relatively large amount of primary creep, up to nearly 30%, over its normal life. The tungsten alloyed steels exhibited a smaller minimum creep rate and a larger stress exponent compared to the conventional steels. In addition, in tungsten alloyed steel, the Ω value features strong stress dependence such that creep life is prolonged at lower stresses due to high Ω values. The importance of the Ω value from the standpoint of creep strengthening in primary and tertiary creep is discussed.

Dynamic decoupling and local atomic order of a model multicomponent metallic glass-former.

PubMed

Kim, Jeongmin; Sung, Bong June

2015-06-17

The dynamics of multicomponent metallic alloys is spatially heterogeneous near glass transition. The diffusion coefficient of one component of the metallic alloys may also decouple from those of other components, i.e., the diffusion coefficient of each component depends differently on the viscosity of metallic alloys. In this work we investigate the dynamic heterogeneity and decoupling of a model system for multicomponent Pd43Cu27Ni10P20 melts by using a hard sphere model that considers the size disparity of alloys but does not take chemical effects into account. We also study how such dynamic behaviors would relate to the local atomic structure of metallic alloys. We find, from molecular dynamics simulations, that the smallest component P of multicomponent Pd43Cu27Ni10P20 melts becomes dynamically heterogeneous at a translational relaxation time scale and that the largest major component Pd forms a slow subsystem, which has been considered mainly responsible for the stabilization of amorphous state of alloys. The heterogeneous dynamics of P atoms accounts for the breakdown of Stokes-Einstein relation and also leads to the dynamic decoupling of P and Pd atoms. The dynamically heterogeneous P atoms decrease the lifetime of the local short-range atomic orders of both icosahedral and close-packed structures by orders of magnitude.

Microstructures and Grain Refinement of Additive-Manufactured Ti- xW Alloys

NASA Astrophysics Data System (ADS)

Mendoza, Michael Y.; Samimi, Peyman; Brice, David A.; Martin, Brian W.; Rolchigo, Matt R.; LeSar, Richard; Collins, Peter C.

2017-07-01

It is necessary to better understand the composition-processing-microstructure relationships that exist for materials produced by additive manufacturing. To this end, Laser Engineered Net Shaping (LENS™), a type of additive manufacturing, was used to produce a compositionally graded titanium binary model alloy system (Ti- xW specimen (0 ≤ x ≤ 30 wt pct), so that relationships could be made between composition, processing, and the prior beta grain size. Importantly, the thermophysical properties of the Ti- xW, specifically its supercooling parameter ( P) and growth restriction factor ( Q), are such that grain refinement is expected and was observed. The systematic, combinatorial study of this binary system provides an opportunity to assess the mechanisms by which grain refinement occurs in Ti-based alloys in general, and for additive manufacturing in particular. The operating mechanisms that govern the relationship between composition and grain size are interpreted using a model originally developed for aluminum and magnesium alloys and subsequently applied for titanium alloys. The prior beta grain factor observed and the interpretations of their correlations indicate that tungsten is a good grain refiner and such models are valid to explain the grain-refinement process. By extension, other binary elements or higher order alloy systems with similar thermophysical properties should exhibit similar grain refinement.

Gas Atomization of Molten Metal: Part II. Applications

DOE PAGES

Abu-Lebdeh, Taher M.; Leon, Genaro Perez-de; Hamoush, Sameer A.; ...

2016-02-01

A numerical model was derived to obtain results for two alloys during the Gas Atomization (GA) method. The model equations and governing equations were implemented through the application of part I data. Aspects such as heat transfer, fluid mechanics, thermodynamics and law of motions were taken into account for the formulation of equations that take gas dynamics, droplet dynamics and energy balance or conservation into consideration. The inputs of the model include: Processing parameters such as the size of the droplets, characteristics of the metal alloy, initial temperature of the molten metal, properties and fractions of the atomization gas andmore » the gas pressure. The outputs include velocity and thermal profiles of the droplet and gas. Velocity profiles illustrate the velocity of both droplet and gas, while thermal profiles illustrate cooling rate and the rate of temperature change of the droplets. The alloys are gamma-Titanium Aluminide (γ-TiAl) and Al-3003-O. These alloys were selected due to the vast amount of applications both can have in several industries. Certain processing parameters were held constant, while others were altered. Furthermore, the main focus of this study was to gain insight into which optimal parameters should be utilized within the GA method for these alloys and to provide insight into the behavior of these alloys« less

Solute transport and the prediction of breakaway oxidation in gamma + beta Ni-Cr-Al alloys

NASA Technical Reports Server (NTRS)

Nesbitt, J. A.; Heckel, R. W.

1984-01-01

The Al transport and the condition leading to breakaway oxidation during the cyclic oxidation of gamma + beta NiCrAl alloys have been studied. The Al concentration/distance profiles were measured after various cyclic oxidation exposures at 1200 C. It was observed that cyclic oxidation results in a decreasing Al concentration at the oxide/metal interface, maintaining a constant flux of Al to the Al2O3 scale. It was also observed that breakaway oxidation occurs when the Al concentration at the oxide/metal interface approaches zero. A numerical model was developed to simulate the diffusional transport of Al and to predict breakaway oxidation in gamma + beta NiCrAl alloys undergoing cyclic oxidation. In a comparison of two alloys with similar oxide spalling characteristics, the numerical model was shown to predict correctly the onset of breakaway oxidation in the higher Al-content alloy.

Printability of alloys for additive manufacturing

DOE PAGES

Mukherjee, T.; Zuback, J. S.; De, A.; ...

2016-01-22

Although additive manufacturing (AM), or three dimensional (3D) printing, provides significant advantages over existing manufacturing techniques, metallic parts produced by AM are susceptible to distortion, lack of fusion defects and compositional changes. Here we show that the printability, or the ability of an alloy to avoid these defects, can be examined by developing and testing appropriate theories. A theoretical scaling analysis is used to test vulnerability of various alloys to thermal distortion. A theoretical kinetic model is used to examine predisposition of different alloys to AM induced compositional changes. A well-tested numerical heat transfer and fluid flow model is usedmore » to compare susceptibilities of various alloys to lack of fusion defects. These results are tested and validated with independent experimental data. Here, the findings presented in this paper are aimed at achieving distortion free, compositionally sound and well bonded metallic parts.« less

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy1

PubMed Central

Andrews, Ross N.; Serio, Joseph; Muralidharan, Govindarajan; Ilavsky, Jan

2017-01-01

Intermetallic γ′ precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy’s precipitate size distribution (PSD) and phase structure during in situ heat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoiding a priori definition of a functional form of the PSD. However, strong low-q scattering from grain boundaries and/or structure factor effects inhibit MaxEnt analysis of typical alloys. This work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-q power law slopes and demonstrates their use in an in situ study of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy. PMID:28656039

The effect of alloying on gamma and gamma prime in nickel-base superalloys

NASA Technical Reports Server (NTRS)

Dreshfield, R. L.; Wallace, J. F.

1972-01-01

An investigation was conducted to determine the compositional limits of gamma and gamma prime phases in nickel-base superalloys. Fifty-one nickel-base alloys were melted under vacuum and heat treated for 4 hours at 1190 C followed by 1008 hours at 850 C. The alloys had the following composition ranges: A1 4.0 to 13 atomic percent, Cr 6.5 to 20.5 percent, Ti 0.25 to 4.75 percent, Mo 0.0 to 6.0 percent, and W 0.0 to 4.0 percent. The residues from the ammonium sulfate electrolytic extraction for the two-phase alloys were analyzed chemically and by X-ray diffraction. The results of the investigation were used to assemble a mathematical model of the gamma-gamma prime region of the Ni-Al-Cr-Ti-Mo-W system. A computer program was written to analyze the model of the phase diagram. Some of these results are also presented graphically. The resulting model is capable of satisfactorily predicting the compositions of conjugate gamma-gamma prime phases in the alloys investigated and twelve of fifteen commercial superalloys studied.

Improved Thermoelectric Performance Achieved by Regulating Heterogeneous Phase in Half-Heusler TiNiSn-Based Materials

NASA Astrophysics Data System (ADS)

Chen, Jun-Liang; Liu, Chengyan; Miao, Lei; Gao, Jie; Zheng, Yan-yan; Wang, Xiaoyang; Lu, Jiacai; Shu, Mingzheng

2018-06-01

With excellent high-temperature stability (up to 1000 K) and favorable electrical properties for thermoelectric application, TiNiSn-based half-Heusler (HH) alloys are expected to be promising thermoelectric materials for the recovery of waste heat in the temperature ranging from 700 K to 900 K. However, their thermal conductivity is always relatively high (5-10 W/mK), making it difficult to further enhance their thermoelectric figure-of-merit ( ZT). In the past decade, introducing nano-scale secondary phases into the HH alloy matrix has been proven to be feasible for optimizing the thermoelectric performance of TiNiSn. In this study, a series of TiNiSn-based alloys have been successfully synthesized by a simple solid-state reaction. The content and composition of the heterogeneous phase (TiNi2Sn and Sn) is accurately regulated and, as a result, the thermal conductivity successfully reduced from 4.9 W m-1 K-1 to 3.0 Wm-1 K-1 (750 K) due to multi-scale phonon scattering. Consequently, a ZT value of 0.49 is achieved at 750 K in our TiNiSn-based thermoelectric materials. Furthermore, the thermal stability of TiNiSn alloys is enhanced through reducing the Sn substance phase.

Recovery of nonwetting characteristics by surface modification of gallium-based liquid metal droplets using hydrochloric acid vapor.

PubMed

Kim, Daeyoung; Thissen, Peter; Viner, Gloria; Lee, Dong-Weon; Choi, Wonjae; Chabal, Yves J; Lee, Jeong-Bong J B

2013-01-01

The applicability of gallium-based liquid metal alloy has been limited by the oxidation problem. In this paper, we report a simple method to remove the oxide layer on the surface of such alloy to recover its nonwetting characteristics, using hydrochloric acid (HCl) vapor. Through the HCl vapor treatment, we successfully restored the nonwetting characteristics of the alloy and suppressed its viscoelasticity. We analyzed the change of surface chemistry before and after the HCl vapor treatment using X-ray photoelectron spectroscopy (XPS) and low-energy ion-scattering spectroscopy (LEIS). Results showed that the oxidized surface of the commercial gallium-based alloy Galinstan (Ga(2)O(3) and Ga(2)O) was replaced with InCl(3) and GaCl(3) after the treatment. Surface tension and static contact angle on a Teflon-coated glass of the HCl-vapor-treated Galinstan were measured to be 523.8 mN/m and 152.5°. A droplet bouncing test was successfully carried out to demonstrate the nonwetting characteristics of the HCl-vapor-treated Galinstan. Finally, the stability of the transformed surface of the HCl-vapor-treated Galinstan was investigated by measuring the contact angle and LEIS spectra after reoxidation in an ambient environment.

Improved Thermoelectric Performance Achieved by Regulating Heterogeneous Phase in Half-Heusler TiNiSn-Based Materials

NASA Astrophysics Data System (ADS)

Chen, Jun-Liang; Liu, Chengyan; Miao, Lei; Gao, Jie; Zheng, Yan-yan; Wang, Xiaoyang; Lu, Jiacai; Shu, Mingzheng

2017-12-01

With excellent high-temperature stability (up to 1000 K) and favorable electrical properties for thermoelectric application, TiNiSn-based half-Heusler (HH) alloys are expected to be promising thermoelectric materials for the recovery of waste heat in the temperature ranging from 700 K to 900 K. However, their thermal conductivity is always relatively high (5-10 W/mK), making it difficult to further enhance their thermoelectric figure-of-merit (ZT). In the past decade, introducing nano-scale secondary phases into the HH alloy matrix has been proven to be feasible for optimizing the thermoelectric performance of TiNiSn. In this study, a series of TiNiSn-based alloys have been successfully synthesized by a simple solid-state reaction. The content and composition of the heterogeneous phase (TiNi2Sn and Sn) is accurately regulated and, as a result, the thermal conductivity successfully reduced from 4.9 W m-1 K-1 to 3.0 Wm-1 K-1 (750 K) due to multi-scale phonon scattering. Consequently, a ZT value of 0.49 is achieved at 750 K in our TiNiSn-based thermoelectric materials. Furthermore, the thermal stability of TiNiSn alloys is enhanced through reducing the Sn substance phase.

The Influence of MgH2 on the Assessment of Electrochemical Data to Predict the Degradation Rate of Mg and Mg Alloys

PubMed Central

Mueller, Wolf-Dieter; Hornberger, Helga

2014-01-01

Mg and Mg alloys are becoming more and more of interest for several applications. In the case of biomaterial applications, a special interest exists due to the fact that a predictable degradation should be given. Various investigations were made to characterize and predict the corrosion behavior in vitro and in vivo. Mostly, the simple oxidation of Mg to Mg2+ ions connected with adequate hydrogen development is assumed, and the negative difference effect (NDE) is attributed to various mechanisms and electrochemical results. The aim of this paper is to compare the different views on the corrosion pathway of Mg or Mg alloys and to present a neglected pathway based on thermodynamic data as a guideline for possible reactions combined with experimental observations of a delay of visible hydrogen evolution during cyclic voltammetry. Various reaction pathways are considered and discussed to explain these results, like the stability of the Mg+ intermediate state, the stability of MgH2 and the role of hydrogen overpotential. Finally, the impact of MgH2 formation is shown as an appropriate base for the prediction of the degradation behavior and calculation of the corrosion rate of Mg and Mg alloys. PMID:24972140

Facile Fabrication of Platinum-Cobalt Alloy Nanoparticles with Enhanced Electrocatalytic Activity for a Methanol Oxidation Reaction

PubMed Central

Huang, Huihong; Hu, Xiulan; Zhang, Jianbo; Su, Nan; Cheng, JieXu

2017-01-01

Decreasing the cost associated with platinum-based catalysts along with improving their catalytic properties is a major challenge for commercial direct methanol fuel cells. In this work, a simple and facile strategy was developed for the more efficient preparation of multi-walled carbon nanotube (MWCNT) -supported Pt/CoPt composite nanoparticles (NPs) via solution plasma sputtering with subsequent thermal annealing. Quite different from general wet synthesis methods, Pt/CoPt composite NPs were directly derived from metal wire electrodes without any additions. The obtained Pt/CoPt/MWCNTs composite catalysts exhibited tremendous improvement in the electro-oxidation of methanol in acidic media with mass activities of 1719 mA mg−1Pt. This value is much higher than that of previous reports of Pt-Co alloy and commercial Pt/C (3.16 times) because of the many active sites and clean surface of the catalysts. The catalysts showed good stability due to the special synergistic effects of the CoPt alloy. Pt/CoPt/MWCNTs can be used as a promising catalyst for direct methanol fuel cells. In addition, this solution plasma sputtering-assisted synthesis method introduces a general and feasible route for the synthesis of binary alloys. PMID:28358143

Microstructural Characterization of Base Metal Alloys with Conductive Native Oxides for Electrical Contact Applications

NASA Astrophysics Data System (ADS)

Senturk, Bilge Seda

Metallic contacts are a ubiquitous method of connecting electrical and electronic components/systems. These contacts are usually fabricated from base metals because they are inexpensive, have high bulk electrical conductivities and exhibit excellent formability. Unfortunately, such base metals oxidize in air under ambient conditions, and the characteristics of the native oxide scales leads to contact resistances orders of magnitude higher than those for mating bare metal surface. This is a critical technological issue since the development of unacceptably high contact resistances over time is now by far the most common cause of failure in electrical/electronic devices and systems. To overcome these problems, several distinct approaches are developed for alloying base metals to promote the formation of self-healing inherently conductive native oxide scales. The objective of this dissertation study is to demonstrate the viability of these approaches through analyzing the data from Cu-9La (at%) and Fe-V binary alloy systems. The Cu-9 La alloy structure consists of eutectic colonies tens of microns in diameter wherein a rod-like Cu phase lies within a Cu6La matrix phase. The thin oxide scale formed on the Cu phase was found to be Cu2O as expected while the thicker oxide scale formed on the Cu6La phase was found to be a polycrystalline La-rich Cu2O. The enhanced electrical conductivity in the native oxide scale of the Cu-9La alloy arises from heavy n-type doping of the Cu2O lattice by La3+. The Fe-V alloy structures consist of a mixture of large elongated and equiaxed grains. A thin polycrystalline Fe3O4 oxide scale formed on all of the Fe-V alloys. The electrical conductivities of the oxide scales formed on the Fe-V alloys are higher than that formed on pure Fe. It is inferred that this enhanced conductivity arises from doping of the magnetite with V+4 which promotes electron-polaron hopping. Thus, it has been demonstrated that even in simple binary alloy systems one can obtain a dramatic reduction in the contact resistances of alloy oxidized surfaces as compared with those of the pure base metals.

Design and application of shape memory actuators

NASA Astrophysics Data System (ADS)

Mertmann, M.; Vergani, G.

2008-05-01

The use of shape memory alloys in actuators allows the development of robust, simple and lightweight elements for application in a multitude of different industries. Over the years, the intermetallic compound Nickel-Titanium (NiTi or Nitinol) together with its ternary and quaternary derivates has gained general acceptance as a standard alloy. Even though as many as 99% of all shape memory actuator applications make use of Nitinol there are certain properties of this alloy system which require further research in order to find improvements and new markets: • Lack of higher transformation temperatures in the available alloys in order to open the field of automotive applications (Mf temperature > 80 °C) • Non-linearity in the electrical resistivity in order to improve the controllability of the actuator, • Wide hysteresis in the temperature-vs.-strain behaviour, which has a signi-ficant effect on both, the dynamics of the actuator and its controllability. Hence, there is a constant strive in the field towards an improvement of the related properties. However, these improvements are not always just alloy composition related. There is also a tremendous potential in the thermomechanical treatment of the material and in the design of the actuator. Significant improvement steps are already possible if the usage of the existent materials is optimized for the projected application and if the actuator system is designed in the most efficient way. This paper provides an overview about existent designs, applications and alloys for use in actuators, as well as examples of new shape memory actuator application with improved performance. It also gives an overview about general design rules and reflects about the strengths of the material and the related opportunities for its application.

Activation of amino-based monolayers for electroless metallization of high-aspect-ratio through-silicon vias by using a simple ultrasonic-assisted plating solution

NASA Astrophysics Data System (ADS)

Chen, Sung-Te; Cheng, Yu-Syun; Chang, Yiu-Hsiang; Yang, Tzu-Ming; Lee, Jyun-Ting; Chen, Giin-Shan

2018-05-01

In this paper, we present the method and results of electroless plating of through-silicon via (TSV) contacts using Ni nanoparticle seeds on self-assembled monolayers (SAMs). This approach where the nanoparticles are evenly distributed and stabilized on the SAM allows the successive electroless metallization schemes such as Co-alloy barrier and Cu plug used typically in TSV as interconnects. The seeding was tested on SiO2 layers with surfaces functionalized by an amino-based aminopropyltrimethoxysilane (APTMS) SAM. APTMS-SAM after a suitable SC-1 treatment yielded a remarkably good barrier layer, with high adhesion strength (70 MPa) and low electrical resistivity (28 μΩ-cm). Moreover, the SAM assisted seeding protocol was followed by an ultrasonic-assisted (or mechanically agitated) electroless-plating stage together with a relatively simple plating solution. Conformal plating of Co-alloy barrier and seem/void-free Cu-plug filling into high-aspect-ratio TSVs (>10) was only achieved by using an ultrasonic-assisted plating process. The SAM layers were characterized by X-ray photoelectron spectroscopy to elucidate the surface functionalization effect.

Influence of La addition on the semi-conductive properties of passive films formed on Cu-Ni alloy

NASA Astrophysics Data System (ADS)

Leng, Xiang; Zhang, Yadong; Zhou, Qiongyu; Zhang, Yinghui; Wang, Zhigang; Wang, Hang; Yang, Bin

2018-05-01

The semi-conductive properties of passive films formed on Cu-Ni alloy and Cu-Ni-La alloy were investigated in 0.1 M NaOH solution, by employing electrochemical impedance spectroscopy (EIS), Mott–Schottky analysis and point defect model (PDM). Results indicate that both the passive films formed on Cu-Ni alloy and Cu-Ni-La alloy display p-type semi-conductive characteristics with cation vacancies in order of magnitude of 1020 cm3. Compared with Cu-Ni alloy, La addition could significantly improve the corrosion resistance, due to a superior barrier passive film formed Cu-Ni-La alloy with a bigger film resistance (R f), increased passive film thickness (L ss) in conjunction with decreased diffusion coefficient (D 0).

FE Modelling of Tensile and Impact Behaviours of Squeeze Cast Magnesium Alloy AM60

NASA Astrophysics Data System (ADS)

DiCecco, Sante; Altenhof, William; Hu, Henry

In response to the need for reduced global emissions, the transportation industry has been steadily increasing the magnesium content in vehicles. This trend has resulted in experimental documentation of numerous alloy and casting combinations, while comparatively little work has been done regarding the development of numerical material models for vehicle crashworthiness simulations. In this study, material mechanical behaviour was implemented into an existing material model within the nonlinear FEA code LS-DYNA to emulate the mechanical behaviour of squeeze cast magnesium alloy AM60 with a relatively thick section of 10 mm thickness. Model validation was achieved by comparing the numerical and experimental results of a tensile test and Charpy impact event. Validation found an average absolute error of 5.44% between numerical and experimental tensile test data, whereas a relatively large discrepancy was found during Charpy evaluation. This discrepancy has been attributed to the presence of microstructure inhomogeneity in the squeeze cast magnesium alloy AM60.

Modeling of Dendritic Structure and Microsegregation in Solidification of Al-Rich Quaternary Alloys

NASA Astrophysics Data System (ADS)

Dai, Ting; Zhu, Mingfang; Chen, Shuanglin; Cao, Weisheng

A two-dimensional cellular automaton (CA) model is coupled with a CALPHAD tool for the simulation of dendritic growth and microsegregation in solidification of quaternary alloys. The dynamics of dendritic growth is calculated according to the difference between the local equilibrium liquidus temperature and the actual temperature, incorporating with the Gibbs—Thomson effect and preferential dendritic growth orientations. Based on the local liquid compositions determined by solving the solutal transport equation in the domain, the local equilibrium liquidus temperature and the solid concentrations at the solid/liquid (SL) interface are calculated by the CALPHAD tool. The model was validated through the comparisons of the simulated results with the Scheil predictions for the solid composition profiles as a function of solid fraction in an Al-6wt%Cu-0.6wt%Mg-1wt%Si alloy. It is demonstrated that the model is capable of not only reproducing realistic dendrite morphologies, but also reasonably predicting microsegregation patterns in solidification of Al-rich quaternary alloys.

An Implicit Algorithm for the Numerical Simulation of Shape-Memory Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Becker, R; Stolken, J; Jannetti, C

Shape-memory alloys (SMA) have the potential to be used in a variety of interesting applications due to their unique properties of pseudoelasticity and the shape-memory effect. However, in order to design SMA devices efficiently, a physics-based constitutive model is required to accurately simulate the behavior of shape-memory alloys. The scope of this work is to extend the numerical capabilities of the SMA constitutive model developed by Jannetti et. al. (2003), to handle large-scale polycrystalline simulations. The constitutive model is implemented within the finite-element software ABAQUS/Standard using a user defined material subroutine, or UMAT. To improve the efficiency of the numericalmore » simulations, so that polycrystalline specimens of shape-memory alloys can be modeled, a fully implicit algorithm has been implemented to integrate the constitutive equations. Using an implicit integration scheme increases the efficiency of the UMAT over the previously implemented explicit integration method by a factor of more than 100 for single crystal simulations.« less

Modeling of grain-oriented Si-steel and amorphous alloy iron core under ferroresonance using Jiles-Atherton hysteresis method

NASA Astrophysics Data System (ADS)

Sima, Wenxia; Zou, Mi; Yang, Ming; Yang, Qing; Peng, Daixiao

2018-05-01

Amorphous alloy is increasingly widely used in the iron core of power transformer due to its excellent low loss performance. However, its potential harm to the power system is not fully studied during the electromagnetic transients of the transformer. This study develops a simulation model to analyze the effect of transformer iron core materials on ferroresonance. The model is based on the transformer π equivalent circuit. The flux linkage-current (ψ-i) Jiles-Atherton reactor is developed in an Electromagnetic Transients Program-Alternative Transients Program and is used to represent the magnetizing branches of the transformer model. Two ferroresonance cases are studied to compare the performance of grain-oriented Si-steel and amorphous alloy cores. The ferroresonance overvoltage and overcurrent are discussed under different system parameters. Results show that amorphous alloy transformer generates higher voltage and current than those of grain-oriented Si-steel transformer and significantly harms the power system safety.

On Roesler and Arzt's new model of creep in dispersion strengthened alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Orlova, A.; Cadek, J.

1992-08-01

The model of creep in dispersion (noncoherent particle) strengthened alloys assuming thermally activated detachment of dislocations from particles to be the rate controlling process, recently presented by Roesler and Arzt (1990), is correlated with some available creep and structure data for aluminum alloys strengthened by Al4C3 and Al2O3 particles. It is shown that though the model requires applied stress dependent apparent activation energy of creep, the stress dependence of creep rate can be satisfactorily accounted for even when this activation energy is stress independent, admitting a strong stress dependence of the preexponential structure factor, i.e., of the mobile dislocation density.more » On the other hand, the model is not able to account for the temperature dependence of creep rate if it is significantly stronger than that of the coefficient of lattice diffusion, as is usually the case with alloys strengthened by noncoherent particles in which the attractive dislocation/particle interaction can be expected. 14 refs.« less

Thermophysical properties of Cu-In-Sn liquid Pb-free alloys: viscosity and surface tension

NASA Astrophysics Data System (ADS)

Dogan, Ali; Arslan, Hüseyin

2018-01-01

The viscosity of a few Cu-In-Sn liquid alloys has been investigated by a number of geometric (Muggianu, Kohler, Toop) and physical thermodynamic models (Kozlov-Romanov-Petrov, Budai-Benko-Kaptay, Schick et al.) and GSM for the cross section (z/y = 1/3) in Pb-free liquid alloy Cux-Iny-Snz at 1073 K. Moreover, the surface tensions of the same liquid alloys have been investigated by a number of geometric models and the Butler model for the cross section Cux-Iny-Snz (z/(y + z) = 0, 0.1, 0.3, 0.5, 0.7, 0.9, 1) at the same temperature. The best agreement of the surface tensions was obtained in the Kohler model for xCu = 10 at % and the Butler model for xCu = 20 at % and xCu = 30 at.%, respectively. The best agreement among chosen geometric and physical models and experiment for these selected sections Cu80In15Sn5, Cu75In15Sn10, Cu55In7Sn38, Cu33In50Sn17 and Cu26In55Sn19 at 1073 K was obtained for the Budai-Benkö-Kaptay model.

Effect of Iron Impurity on the Phase Composition, Structure and Properties of Magnesium Alloys Containing Manganese and Aluminum

NASA Astrophysics Data System (ADS)

Volkova, E. F.

2017-07-01

Results of a study of the interaction between iron impurity and manganese and aluminum alloying elements during formation of phase composition in alloys of the Mg - Mn, Mg - Al, Mg - Al - Mn, and Mg - Al - Zn - Mn systems are presented. It is proved that this interaction results in introduction of Fe into the intermetallic phase. The phase compositions of model magnesium alloys and commercial alloys MA2-1 and MA5 are studied. It is shown that both manganese and aluminum may bind the iron impurity into phases. Composite Fe-containing intermetallic phases of different compositions influence differently the corrosion resistance of magnesium alloys.

Study on Thermal Deformation Behavior of TC4 – ELI Titanium Alloy

NASA Astrophysics Data System (ADS)

Song, Y.; Zhang, F. S.; Huang, T.; Song, K. X.

2018-05-01

The TC4-ELI titanium alloy was subjected to hot compression deformation test by the Gleeble-1500D thermal simulation test machine. The thermal deformation behavior of the TC4-ELI titanium alloy was studied under the condition of 850°C-1050°C, 0.001s-1-10s-1 strain rate and 50% deformation. The constitutive equation of TC4-ELI titanium alloy was established based on the hyperbolic sine model of Arrhenius equation. The results show that the flow stress of TC4-ELI titanium alloy decreases with the increase of temperature at high temperature. The calculated heat activation energy of TC4-ELI titanium alloy is 300367.5807J / mol.

Weldability of a high entropy CrMnFeCoNi alloy

DOE PAGES

Wu, Zhenggang; David, Stan A.; Feng, Zhili; ...

2016-07-19

We present the high-entropy alloys are unique alloys in which five or more elements are all in high concentrations. In order to determine its potential as a structural alloy, a model face-centered-cubic CrMnFeCoNi alloy was selected to investigate its weldability. Welds produced by electron beam welding show no cracking. The grain structures within the fusion zone (FZ) are controlled by the solidification behavior of the weld pool. The weldment possesses mechanical properties comparable to those of the base metal (BM) at both room and cryogenic temperatures. Finally, compared with the BM, deformation twinning was more pronounced in the FZ ofmore » the tested alloy.« less

Undercooling and solidification behavior in the InSb-Sb system. M.S. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Graves, J. A.

1985-01-01

Use of the droplet emulsion technique has been successful in studying the undercooling and crystallization behavior of Sb, InSb, and an InSb-Sb eutectic alloy. Both droplet size and imposed cooling rate were influential in controlling the extent of liquid undercooling. The droplet surface coating was of significant importance in determining the resultant solidification product structure through its effect on nucleation kinetics. The maximum undercooling for pure Sb was extended from 0.08 to 0.23 T sub m. While simple crushing techniques provided a dramatic increase in droplet undercooling over the bulk material, emulsification treatments both enhanced this undercooling and allowed successful formation of a metastable simple cubic Sb phase. This phase was stable to temperatures approaching the melting point. The simple cubic phase was detected in droplet samples processed using DTA, air and water quenching, and drop tube processing under a helium gas atmosphere. A deviation in the InSb parent ingot composition limited interpretation of the line compound results, however, emulsification techniques extended the undercooling of this material to 0.17 T sub L and provided a stable, protective surface coating for the droplets. Emulsification of the eutectic alloy was effective at producing various levels of undercooling from 0.1 to 0.2 T sub E. Microstructural examination revealed a normal-type eutectic structure in the undercooled droplets indicating that solidification occurred within the coupled zone and that this zone is somewhat symmetric about the eutectic composition.

Dynamic Multi-Axial Loading Response and Constitutive/Damage Modeling of Titanium and Titanium Alloys

DTIC Science & Technology

2006-06-24

crystals and assume same yield stress in tension and compression. Some anisotropic models have been proposed and used in the literature for HCP poly...2006), etc. These criteria dealt with the modeling of cubic crystals and assume same yield stress in tension an compression. Some anisotropic...Constitutive/Damage Modeling of Titanium and Titanium Alloys Principal Investigator: Akhtar S. Khan

Corrosion performance of alternative steam generator materials and designs. Volume 2. Posttest examination of a seawater-faulted alternative materials model steam generator. Final report. [PWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krupowicz, J.J.; Scott, D.B.; Fink, G.C.

Corrosion results obtained from the post-test non-destructive and destructive examinations of an alternative materials model steam generator are described in this final report. The model operated under representative thermal and hydraulic and accelerated (high seawater contaminant concentration) steam generator secondary water chemistry conditions. Total exposure consisted of 114 steaming days under all volatile treatment (AVT) chemistry conditions followed by 282 fault steaming days at a 30 ppM chloride concentration in the secondary bulk water. Various support plate and lattice strip support designs incorporated Types 347, 405, 409 and SCR-3 stainless steels; Alloys 600 and 690; and carbon steel. Heat transfermore » tube materials included Alloy 600 in various heat treated conditions, Alloy 690, and Alloy 800. All tubing materials in this test exhibited moderate pitting, primarily in the sludge pile region above the tubesheet.« less

Corrosion performance of alternative steam generator materials and designs. Volume 3. Posttest examination of a freshwater-faulted alternative materials model steam generator. Final report. [PWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krupowicz, J.J.; Scott, D.B.; Rentler, R.M.

Corrosion results obtained from the post-test non-destructive and destructive examinations of an alternative materials model steam generator are described in this final report. The model operated under representative thermal and hydraulic and accelerated (high fresh water contaminant concentration) steam generator secondary water chemistry conditions. Total exposure consisted of 114 steaming days under all volatile treatment (AVT) chemistry conditions followed by 358 fault steaming days at a 40 ppM sulfate concentration in the secondary bulk water. Various support plate and lattice strip support designs incorporated Types 347, 405, 409 and SCR-3 stainless steels; Alloys 600 and 690; and carbon steel. Heatmore » transfer tube materials included Alloy 600 in various heat treated conditions, Alloy 690, and Alloy 800. All tubing materials in this test exhibited significant general corrosion beneath thick surface deposits.« less

Computational studies of physical properties of Nb-Si based alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ouyang, Lizhi

2015-04-16

The overall goal is to provide physical properties data supplementing experiments for thermodynamic modeling and other simulations such as phase filed simulation for microstructure and continuum simulations for mechanical properties. These predictive computational modeling and simulations may yield insights that can be used to guide materials design, processing, and manufacture. Ultimately, they may lead to usable Nb-Si based alloy which could play an important role in current plight towards greener energy. The main objectives of the proposed projects are: (1) developing a first principles method based supercell approach for calculating thermodynamic and mechanic properties of ordered crystals and disordered latticesmore » including solid solution; (2) application of the supercell approach to Nb-Si base alloy to compute physical properties data that can be used for thermodynamic modeling and other simulations to guide the optimal design of Nb-Si based alloy.« less

Measuring and Modeling the Effects of Mechanical Twinning on the Behavior of Magnesium Alloys

NASA Astrophysics Data System (ADS)

Agnew, Sean; Wu, Peidong; Inal, Kaan; El Kadiri, Haitham; Wang, Jian; Tome, Carlos

Our community has learned a great deal about twinning in Mg alloys over the past decade. Some of these things were known qualitatively in prior decades, but we have now developed a proficiency in characterization and computational modeling which permits a quantitative description of these twinning-induced effects over a wide range of strain rates, temperatures, loading conditions, and in a variety of alloy families. These capabilities could only be dreamed of by prior generations. This lecture will review the effects of the main twinning mode, {10.2} extension twinning (e.g., tension-compression yield asymmetry, yield plateau, anisotropy, rapid strain hardening, detwinning, etc.); characterization, primarily by diffraction-based techniques (electron, X-ray, and neutron); and modeling by crystal plasticity-based methods. Strategies to control these effects through microstructure, texture, and alloy design will be proposed. Finally, outstanding questions which merit further research will be highlighted.

Identification of the heat transfer coefficient in the two-dimensional model of binary alloy solidification

NASA Astrophysics Data System (ADS)

Hetmaniok, Edyta; Hristov, Jordan; Słota, Damian; Zielonka, Adam

2017-05-01

The paper presents the procedure for solving the inverse problem for the binary alloy solidification in a two-dimensional space. This is a continuation of some previous works of the authors investigating a similar problem but in the one-dimensional domain. Goal of the problem consists in identification of the heat transfer coefficient on boundary of the region and in reconstruction of the temperature distribution inside the considered region in case when the temperature measurements in selected points of the alloy are known. Mathematical model of the problem is based on the heat conduction equation with the substitute thermal capacity and with the liquidus and solidus temperatures varying in dependance on the concentration of the alloy component. For describing this concentration the Scheil model is used. Investigated procedure involves also the parallelized Ant Colony Optimization algorithm applied for minimizing a functional expressing the error of approximate solution.

Effect of inlet geometry on macrosegregation during the direct chill casting of 7050 alloy billets: experiments and computer modelling

NASA Astrophysics Data System (ADS)

Zhang, L.; Eskin, D. G.; Miroux, A.; Subroto, T.; Katgerman, L.

2012-07-01

Controlling macrosegregation is one of the major challenges in direct-chill (DC) casting of aluminium alloys. In this paper, the effect of the inlet geometry (which influences the melt distribution) on macrosegregation during the DC casting of 7050 alloy billets was studied experimentally and by using 2D computer modelling. The ALSIM model was used to determine the temperature and flow patterns during DC casting. The results from the computer simulations show that the sump profiles and flow patterns in the billet are strongly influenced by the melt flow distribution determined by the inlet geometry. These observations were correlated to the actual macrosegregation patterns found in the as-cast billets produced by having two different inlet geometries. The macrosegregation analysis presented here may assist in determining the critical parameters to consider for improving the casting of 7XXX aluminium alloys.

A kinematic hardening constitutive model for the uniaxial cyclic stress-strain response of magnesium sheet alloys at room temperature

NASA Astrophysics Data System (ADS)

He, Zhitao; Chen, Wufan; Wang, Fenghua; Feng, Miaolin

2017-11-01

A kinematic hardening constitutive model is presented, in which a modified form of von Mises yield function is adopted, and the initial asymmetric tension and compression yield stresses of magnesium (Mg) alloys at room temperature (RT) are considered. The hardening behavior was classified into slip, twinning, and untwinning deformation modes, and these were described by two forms of back stress to capture the mechanical response of Mg sheet alloys under cyclic loading tests at RT. Experimental values were obtained for AZ31B-O and AZ31B sheet alloys under both tension-compression-tension (T-C-T) and compression-tension (C-T) loadings to calibrate the parameters of back stresses in the proposed model. The predicted parameters of back stresses in the twinning and untwinning modes were expressed as a cubic polynomial. The predicted curves based on these parameters showed good agreement with the tests.

Nonlinear Acoustical Assessment of Precipitate Nucleation

NASA Technical Reports Server (NTRS)

Cantrell, John H.; Yost, William T.

2004-01-01

The purpose of the present work is to show that measurements of the acoustic nonlinearity parameter in heat treatable alloys as a function of heat treatment time can provide quantitative information about the kinetics of precipitate nucleation and growth in such alloys. Generally, information on the kinetics of phase transformations is obtained from time-sequenced electron microscopical examination and differential scanning microcalorimetry. The present nonlinear acoustical assessment of precipitation kinetics is based on the development of a multiparameter analytical model of the effects on the nonlinearity parameter of precipitate nucleation and growth in the alloy system. A nonlinear curve fit of the model equation to the experimental data is then used to extract the kinetic parameters related to the nucleation and growth of the targeted precipitate. The analytical model and curve fit is applied to the assessment of S' precipitation in aluminum alloy 2024 during artificial aging from the T4 to the T6 temper.

Corrosion fatigue crack propagation in metals

NASA Technical Reports Server (NTRS)

Gangloff, Richard P.

1990-01-01

This review assesses fracture mechanics data and mechanistic models for corrosion fatigue crack propagation in structural alloys exposed to ambient temperature gases and electrolytes. Extensive stress intensity-crack growth rate data exist for ferrous, aluminum and nickel based alloys in a variety of environments. Interactive variables (viz., stress intensity range, mean stress, alloy composition and microstructure, loading frequency, temperature, gas pressure and electrode potential) strongly affect crack growth kinetics and complicate fatigue control. Mechanistic models to predict crack growth rates were formulated by coupling crack tip mechanics with occluded crack chemistry, and from both the hydrogen embrittlement and anodic dissolution/film rupture perspectives. Research is required to better define: (1) environmental effects near threshold and on crack closure; (2) damage tolerant life prediction codes and the validity of similitude; (3) the behavior of microcrack; (4) probes and improved models of crack tip damage; and (5) the cracking performance of advanced alloys and composites.

Modeling Bi-induced changes in the electronic structure of GaAs1-xBix alloys

NASA Astrophysics Data System (ADS)

Virkkala, Ville; Havu, Ville; Tuomisto, Filip; Puska, Martti J.

2013-12-01

We suggested recently [V. Virkkala , Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.88.035204 88, 035204 (2013)] that the band-gap narrowing in dilute GaAs1-xNx alloys can be explained to result from the broadening of the localized N states due to the N-N interaction along the zigzag chains in the <110> directions. In that study our tight-binding modeling based on first-principles density-functional calculations took into account the random distribution of N atoms in a natural way. In this work we extend our modeling to GaAs1-xBix alloys. Our results indicate that Bi states mix with host material states. However, the states near the valence-band edge agglomerate along the zigzag chains originating from individual Bi atoms. This leads to Bi-Bi interactions in a random alloy broadening these states in energy and causing the band-gap narrowing.

Insight into the mechanism revealing the peroxidase mimetic catalytic activity of quaternary CuZnFeS nanocrystals: colorimetric biosensing of hydrogen peroxide and glucose

NASA Astrophysics Data System (ADS)

Dalui, Amit; Pradhan, Bapi; Thupakula, Umamahesh; Khan, Ali Hossain; Kumar, Gundam Sandeep; Ghosh, Tanmay; Satpati, Biswarup; Acharya, Somobrata

2015-05-01

Artificial enzyme mimetics have attracted immense interest recently because natural enzymes undergo easy denaturation under environmental conditions restricting practical usefulness. We report for the first time chalcopyrite CuZnFeS (CZIS) alloyed nanocrystals (NCs) as novel biomimetic catalysts with efficient intrinsic peroxidase-like activity. Novel peroxidase activities of CZIS NCs have been evaluated by catalytic oxidation of the peroxidase substrate 3,3',5,5'-tetramethylbenzidine (TMB) in the presence of hydrogen peroxide (H2O2). CZIS NCs demonstrate the synergistic effect of elemental composition and photoactivity towards peroxidase-like activity. The quaternary CZIS NCs show enhanced intrinsic peroxidase-like activity compared to the binary NCs with the same constituent elements. Intrinsic peroxidase-like activity has been correlated with the energy band position of CZIS NCs extracted using scanning tunneling spectroscopy and ultraviolet photoelectron spectroscopy. Kinetic analyses indicate Michaelis-Menten enzyme kinetic model catalytic behavior describing the rate of the enzymatic reaction by correlating the reaction rate with substrate concentration. Typical color reactions arising from the catalytic oxidation of TMB over CZIS NCs with H2O2 have been utilized to establish a simple and sensitive colorimetric assay for detection of H2O2 and glucose. CZIS NCs are recyclable catalysts showing high efficiency in multiple uses. Our study may open up the possibility of designing new photoactive multi-component alloyed NCs as enzyme mimetics in biotechnology applications.Artificial enzyme mimetics have attracted immense interest recently because natural enzymes undergo easy denaturation under environmental conditions restricting practical usefulness. We report for the first time chalcopyrite CuZnFeS (CZIS) alloyed nanocrystals (NCs) as novel biomimetic catalysts with efficient intrinsic peroxidase-like activity. Novel peroxidase activities of CZIS NCs have been evaluated by catalytic oxidation of the peroxidase substrate 3,3',5,5'-tetramethylbenzidine (TMB) in the presence of hydrogen peroxide (H2O2). CZIS NCs demonstrate the synergistic effect of elemental composition and photoactivity towards peroxidase-like activity. The quaternary CZIS NCs show enhanced intrinsic peroxidase-like activity compared to the binary NCs with the same constituent elements. Intrinsic peroxidase-like activity has been correlated with the energy band position of CZIS NCs extracted using scanning tunneling spectroscopy and ultraviolet photoelectron spectroscopy. Kinetic analyses indicate Michaelis-Menten enzyme kinetic model catalytic behavior describing the rate of the enzymatic reaction by correlating the reaction rate with substrate concentration. Typical color reactions arising from the catalytic oxidation of TMB over CZIS NCs with H2O2 have been utilized to establish a simple and sensitive colorimetric assay for detection of H2O2 and glucose. CZIS NCs are recyclable catalysts showing high efficiency in multiple uses. Our study may open up the possibility of designing new photoactive multi-component alloyed NCs as enzyme mimetics in biotechnology applications. Electronic supplementary information (ESI) available: Fig. S1-S13. See DOI: 10.1039/c5nr01728a

Reduced-Pressure Foaming of Aluminum Alloys

NASA Astrophysics Data System (ADS)

Vinod Kumar, G. S.; Mukherjee, M.; Garcia-Moreno, F.; Banhart, J.

2013-01-01

We developed a novel process for foaming aluminum and its alloys without using a blowing agent. The process involves a designated apparatus in which molten aluminum and its alloys are first foamed under reduced pressure and then solidified quickly. Foaming was done for pure aluminum (99.99 pct) and AlMg5 alloy not containing stabilizing particles and AlMg5 and AlSi9Mg5 alloys containing 5 vol pct SiO2 particles. We discuss the foaming mechanism and develop a model for estimating the porosity that can be achieved in this process. The nucleation of pores in foams is also discussed.

Parameters of Models of Structural Transformations in Alloy Steel Under Welding Thermal Cycle

NASA Astrophysics Data System (ADS)

Kurkin, A. S.; Makarov, E. L.; Kurkin, A. B.; Rubtsov, D. E.; Rubtsov, M. E.

2017-05-01

A mathematical model of structural transformations in an alloy steel under the thermal cycle of multipass welding is suggested for computer implementation. The minimum necessary set of parameters for describing the transformations under heating and cooling is determined. Ferritic-pearlitic, bainitic and martensitic transformations under cooling of a steel are considered. A method for deriving the necessary temperature and time parameters of the model from the chemical composition of the steel is described. Published data are used to derive regression models of the temperature ranges and parameters of transformation kinetics in alloy steels. It is shown that the disadvantages of the active visual methods of analysis of the final phase composition of steels are responsible for inaccuracy and mismatch of published data. The hardness of a specimen, which correlates with some other mechanical properties of the material, is chosen as the most objective and reproducible criterion of the final phase composition. The models developed are checked by a comparative analysis of computational results and experimental data on the hardness of 140 alloy steels after cooling at various rates.

Modeling the Controlled Recrystallization of Particle-Containing Aluminum Alloys

NASA Astrophysics Data System (ADS)

Adam, Khaled; Root, Jameson M.; Long, Zhengdong; Field, David P.

2017-01-01

The recrystallized fraction for AA7050 during the solution heat treatment is highly dependent upon the history of deformation during thermomechanical processing. In this work, a state variable model was developed to predict the recrystallization volume fraction as a function of processing parameters. Particle stimulated nucleation (PSN) was observed as a dominant mechanism of recrystallization in AA7050. The mesoscale Monte Carlo Potts model was used to simulate the evolved microstructure during static recrystallization with the given recrystallization fraction determined already by the state variable model for AA7050 alloy. The spatial inhomogeneity of nucleation is obtained from the measurement of the actual second-phase particle distribution in the matrix identified using backscattered electron (BSE) imaging. The state variable model showed good fit with the experimental results, and the simulated microstructures were quantitatively comparable to the experimental results for the PSN recrystallized microstructure of 7050 aluminum alloy. It was also found that the volume fraction of recrystallization did not proceed as dictated by the Avrami equation in this alloy because of the presence of the growth inhibitors.

Simulation of Structural Transformations in Heating of Alloy Steel

NASA Astrophysics Data System (ADS)

Kurkin, A. S.; Makarov, E. L.; Kurkin, A. B.; Rubtsov, D. E.; Rubtsov, M. E.

2017-07-01

Amathematical model for computer simulation of structural transformations in an alloy steel under the conditions of the thermal cycle of multipass welding is presented. The austenitic transformation under the heating and the processes of decomposition of bainite and martensite under repeated heating are considered. Amethod for determining the necessary temperature-time parameters of the model from the chemical composition of the steel is described. Published data are processed and the results used to derive regression models of the temperature ranges and parameters of transformation kinetics of alloy steels. The method developed is used in computer simulation of the process of multipass welding of pipes by the finite-element method.

An Economic Model and Experiments to Understand Aluminum-Cerium Alloy Recycling

NASA Astrophysics Data System (ADS)

Iyer, Ananth V.; Lim, Heejong; Rios, Orlando; Sims, Zachary; Weiss, David

2018-04-01

We provide an economic model to understand the impact of adoption, sorting and pricing of scrap on the recycling of a new aluminum-cerium (AlCe) alloy for use in engine blocks in the automobile industry. The goal of the laboratory portion of this study is to investigate possible effects of cerium contamination on well-established aluminum recycling streams. Our methodology includes three components: (1) focused data gathering from industry supply chain participants, (2) experimental data through laboratory experiments to understand the impact of cerium on existing alloys and (3) an economic model to understand pricing incentives on a recycler's separation of AlCe engine blocks.

Design of experiment (DOE) study of biodegradable magnesium alloy synthesized by mechanical alloying using fractional factorial design

NASA Astrophysics Data System (ADS)

Salleh, Emee Marina; Ramakrishnan, Sivakumar; Hussain, Zuhailawati

2014-06-01

The biodegradable nature of magnesium (Mg) makes it a most highlighted and attractive to be used as implant materials. However, rapid corrosion rate of Mg alloys especially in electrolytic aqueous environment limits its performance. In this study, Mg alloy was mechanically milled by incorporating manganese (Mn) as alloying element. An attempt was made to study both effect of mechanical alloying and subsequent consolidation processes on the bulk properties of Mg-Mn alloys. 2k-2 factorial design was employed to determine the significant factors in producing Mg alloy which has properties closes to that of human bones. The design considered six factors (i.e. milling time, milling speed, weight percentage of Mn, compaction pressure, sintering temperature and sintering time). Density and hardness were chosen as the responses for assessing the most significant parameters that affected the bulk properties of Mg-Mn alloys. The experimental variables were evaluated using ANOVA and regression model. The main parameter investigated was compaction pressure.

Alloy Design Workbench-Surface Modeling Package Developed

NASA Technical Reports Server (NTRS)

Abel, Phillip B.; Noebe, Ronald D.; Bozzolo, Guillermo H.; Good, Brian S.; Daugherty, Elaine S.

2003-01-01

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

Structure and Properties of Titanium Tantalum Alloys for Biocompatibility

NASA Astrophysics Data System (ADS)

Huber, Daniel E.

In this thesis, the phase stability and elastic modulus of Ti-Ta simple binary alloys as well as alloys with small additions of ternary elements have been studied. The binary alloy from a nominal 8 to 28 wt.% Ta was first explored using a combinatorial approach. This approach included Laser Engineered Net Shape (LENSTM) processing of materials and subsequent characterization by instrumented indentation and site specific Transmission Electron Microscopy (TEM). The composition range of 15 to 75 wt.% Ta was further explored by more traditional methods that included vacuum arc melting high purity elements, X-Ray Diffraction (XRD) and modulus measurements made by ultrasonic methods. Beyond the simple binary, alloys with low levels of ternary elements, oxygen, aluminum, zirconium and small additions of rare earth oxides were investigated. The crystal structure with space group Cmcm was chosen for it applicability with P63/mmc and Im-3¯m sub group / super group symmetry. This provides a consistent crystal structure framework for the purpose of studying the alpha to beta transformation pathway and associated alpha' and alpha'' martensitic phases. In this case, the pathway is defined by both the lattice parameters and the value of the parameter "y", where the parameter "y" describes the atomic positions of the [002]alpha plane. It was found that the lattice parameter changes in the Ti-Ta binary alloys are similar to structures reported for compositions in the Ti-Nb system of similar atomic percentages. Although samples produced by the LENSTM; process and characterized by instrumented indentation demonstrated the correct trends in modulus behavior, absolute agreement was not seen with modulus values published in literature. Alloys of the binary Ti-Ta system produced from high purity materials do indeed show close agreement with literature where there exist two minima of modulus near the compositions of Ti-28Ta wt.% and Ti-68Ta wt.%. These two minima occur at the discreet boundary between alpha' / alpha'' and alpha'' / beta respectively. The role of oxygen as an alloying addition was studied as it relates to the stability of alpha' and alpha'' martensite, here it was found that oxygen will stabilize alpha' yet cause an increase in the Young's modulus. Rare earth additions to getter interstitial oxygen in the high purity materials show no further reduction in modulus. Conversely, additions of another alpha stabilizer, Al, proved to lower the alpha' stability, with one composition exhibiting a modulus as low as 53 GPa. Zirconium being a neutral element regarding alpha and beta stability slightly changed the structure and lattice parameter, while making a little or no difference in the observed modulus. Observations by TEM of quenched specimens indicate the rise in modulus observed between the two minima is not caused the appearance of o. Rather weak o reflections were observed in Ti-65Ta wt.% in the as arc-melted condition and on annealing for 450°C for 24 hours. Precipitates of o were not clearly identified by dark-field TEM imaging. High Resolution Scanning Transmission Electron Microscopy (HRSTEM) of the aged specimen indicated that o might exist as 3-5nm particles.

Electrical Transport Properties of Liquid Sn-Sb Binary Alloys

NASA Astrophysics Data System (ADS)

Thakore, B. Y.; Suthar, P. H.; Khambholja, S. G.; Jani, A. R.

2010-06-01

The study of electrical transport properties viz. electrical resistivity, thermo electrical power and thermal conductivity of liquid Sn-Sb binary alloys have been made by our well recognized single parametric model potential. In the present work, screening functions due to Hartree, Taylor, Ichimaru et al.. Farid et al.. and Sarkar et al.. have been employed to incorporate the exchange and correlation effects. The liquid alloy is studied as a function of its composition at temperature 823 K according to the Faber-Ziman model. Further, thermoelectric power and thermal conductivity have been predicted. The values of electrical resistivity of binary alloys computed with Ichimaru et al. and Farid et al.. screening function are in good agreement with the experimental data.

Microstructural Aspects of Localized Corrosion Behavior of Mg Alloys

NASA Astrophysics Data System (ADS)

Chu, Peng-Wei

Combining high specific strength and unique electrochemical properties, magnesium (Mg) alloys are promising lightweight materials for various applications from automotive, consumer electronics, biomedical body implant, to battery electrodes. Engineering solutions such as coatings have enabled the use of Mg alloys, despite their intrinsic low corrosion resistance. Consequently, the fundamental mechanisms responsible for the unique localized corrosion behavior of bare Mg alloys, the associated abnormal hydrogen evolution response, and the relationships between corrosion behavior and alloy microstructure are still unsolved. This thesis aims to uncover the specificities of Mg corrosion and the roles of alloy chemistry and microstructure. To this end, multiscale site-specific microstructure characterization techniques, including in situ optical microscopy, scanning electron microscopy with focused ion beam milling, and transmission electron microscopy, combined with electrochemical analysis and hydrogen evolution rate monitoring, were performed on pure Mg and selected Mg alloys under free corrosion and anodic polarization, revealing key new information on the propagation mode of localized corrosion and the role of alloy microstructures, thereby confirming or disproving the validity of previously proposed corrosion models. Uniform surface corrosion film on Mg alloys immersed in NaCl solution consisted a bi-layered structure, with a porous Mg(OH)2 outer layer on top of a MgO inner layer. Presence of fine scale precipitates in Mg alloys interacted with the corrosion reaction front, reducing the corrosion rate and surface corrosion film thickness. Protruding hemispherical dome-like corrosion products, accompanied by growing hydrogen bubbles, formed on top of the impurity particles in Mg alloys by deposition of Mg(OH)2 via a microgalvanic effect. Localized corrosion on Mg alloys under both free immersion and anodic polarization was found to be governed by a common mechanism, with the corrosion front propagating laterally a few mum inside the alloy and underneath the surface corrosion film, with finger-like features aligned with (0001) Mg basal planes at the localized corrosion/alloy interface. Rising streams of hydrogen bubbles were found to follow the anodic dissolution of Mg and formation of Mg(OH)2 corrosion products at the propagating localized corrosion fronts. Alloying elements segregation to the grain boundaries showed the ability to stop localized corrosion propagation momentarily. By revealing the microstructure of corrosion features on Mg alloys, a descriptive model was proposed. Relationships between the corrosion behavior and alloy microstructures were also identified. This microscopic information can serve as a guideline for future development of Mg alloys by tailoring the microstructure to achieve proper corrosion responses for applications under different environments.

Hydrogen pickup mechanism of zirconium alloys

NASA Astrophysics Data System (ADS)

Couet, Adrien

Although the optimization of zirconium based alloys has led to significant improvements in hydrogen pickup and corrosion resistance, the mechanisms by which such alloy improvements occur are still not well understood. In an effort to understand such mechanisms, a systematic study of the alloy effect on hydrogen pickup is conducted, using advanced characterization techniques to rationalize precise measurements of hydrogen pickup. The hydrogen pick-up fraction is accurately measured for a specially designed set of commercial and model alloys to investigate the effects of alloying elements, microstructure and corrosion kinetics on hydrogen uptake. Two different techniques to measure hydrogen concentrations were used: a destructive technique, Vacuum Hot Extraction, and a non-destructive one, Cold Neutron Prompt Gamma Activation Analysis. The results indicate that hydrogen pickup varies not only from alloy to alloy but also during the corrosion process for a given alloy. For instance Zircaloy type alloys show high hydrogen pickup fraction and sub-parabolic oxidation kinetics whereas ZrNb alloys show lower hydrogen pickup fraction and close to parabolic oxidation kinetics. Hypothesis is made that hydrogen pickup result from the need to balance charge during the corrosion reaction, such that the pickup of hydrogen is directly related to (and indivisible of) the corrosion mechanism and decreases when the rate of electron transport or oxide electronic conductivity sigmao xe through the protective oxide increases. According to this hypothesis, alloying elements (either in solid solution or in precipitates) embedded in the oxide as well as space charge variations in the oxide would impact the hydrogen pick-up fraction by modifying sigmaox e, which drives oxidation and hydriding kinetics. Dedicated experiments and modelling were performed to assess and validate these hypotheses. In-situ electrochemical impedance spectroscopy (EIS) experiments were performed on Zircaloy-4 tubes to directly measure the evolution of sigma oxe as function of exposure time. The results show that sigmao xe decreases as function of exposure time and that its variations are directly correlated to the instantaneous hydrogen pickup fraction variations. The electron transport through the oxide layer is thus altered as the oxide grows, reasons for which are yet to be exactly determined. Preliminary results also show that sigma oxe of ZrNb alloys would be much higher compared with Zircaloy-4. Thus, it is confirmed that sigmaox e is a key parameter in the hydrogen and oxidation mechanism. Because the mechanism whereby alloying elements are incorporated into the oxide layer is critical to changing sigmao xe, the evolution of the oxidation state of two common alloying elements, Fe and Nb, when incorporated into the growing oxide layers is investigated using X-Ray Absorption Near-Edge Spectroscopy (XANES) using micro-beam synchrotron radiation on cross sectional oxide samples. The results show that the oxidation of both Fe and Nb is delayed in the oxide layer compared to that of Zr, and that this oxidation delay is related to the variations of the instantaneous hydrogen pick-up fraction with exposure time. The evolution of Nb oxidation as function of oxide depth is also compatible with space charge compensation in the oxide and with an increase in sigmaox e of ZrNb alloys compared to Zircaloys. Finally, various successively complex models from the well-known Wagner oxidation theory to the more complex effect of space charge on oxidation kinetics have been developed. The general purpose of the modeling effort is to provide a rationale for the sub-parabolic oxidation kinetics and demonstrate the correlation with hydrogen pickup fraction. It is directly demonstrated that parabolic oxidation kinetics is associated with high sigmao xe and low space charges in the oxide whereas sub-parabolic oxidation kinetics is associated with lower sigmaox e and higher space charge in the oxide. All these observations helped us to propose a general corrosion mechanism of zirconium alloys involving both oxidation and hydrogen pickup mechanism to better understand and predict the effect of alloying additions on the behavior of zirconium alloys.

Modeling of Substitutional Site Preference in Ordered Intermetallic Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Honecy, Frank

1998-01-01

We investigate the site substitution scheme of specific alloying elements in ordered compounds and the dependence of site occupancy on compound stoichiometry, alloy concentration. This basic knowledge, and the interactions with other alloying additions are necessary in order to predict and understand the effect of various alloying schemes on the physical properties of a material, its response to various temperature treatments, and the resulting mechanical properties. Many theoretical methods can provide useful but limited insight in this area, since most techniques suffer from constraints in the type of elements and the crystallographic structures that can be modeled. With this in mind, the Bozzolo-Ferrante-Smith (BFS) method for alloys was designed to overcome these limitations, with the intent of providing an useful tool for the theoretical prediction of fundamental properties and structure of complex systems. After a brief description of the BFS method, its use for the determination of site substitution schemes for individual as well as collective alloying additions to intermetallic systems is described, including results for the concentration dependence of the lattice parameter. Focusing on B2 NiAl, FeAl and CoAl alloys, the energetics of Si, Ti, V, Cr, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Hf, Ta and W alloying additions are surveyed. The effect of single additions as well as the result of two simultaneous additions, discussing the interaction between additions and their influence on site preference schemes is considered. Finally, the BFS analysis is extended to ternary L1(sub 2) (Heusler phase) alloys. A comparison between experimental and theoretical results for the limited number of cases for which experimental data is available is also included.

Reformulating the Depression Model of Learned Hopelessness for Academic Outcomes

ERIC Educational Resources Information Center

Au, Raymond C. P.; Watkins, David; Hattie, John; Alexander, Patricia

2009-01-01

This review explores developments in the construct of learned hopelessness, which originated in the clinical literature dealing with depression. In that context, the model developed by Abramson, Metalsky, and Alloy [Abramson, L. Y., Metalsky, G. I., & Alloy, L. B. (1989). "Hopelessness depression: A theory-based subtype of depression."…

Performance of a Steel/Oxide Composite Waste Form for Combined Waste Steams from Advanced Electrochemical Processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Indacochea, J. E.; Gattu, V. K.; Chen, X.

The results of electrochemical corrosion tests and modeling activities performed collaboratively by researchers at the University of Illinois at Chicago and Argonne National Laboratory as part of workpackage NU-13-IL-UIC-0203-02 are summarized herein. The overall objective of the project was to develop and demonstrate testing and modeling approaches that could be used to evaluate the use of composite alloy/ceramic materials as high-level durable waste forms. Several prototypical composite waste form materials were made from stainless steels representing fuel cladding, reagent metals representing metallic fuel waste streams, and reagent oxides representing oxide fuel waste streams to study the microstructures and corrosion behaviorsmore » of the oxide and alloy phases. Microelectrodes fabricated from small specimens of the composite materials were used in a series of electrochemical tests to assess the corrosion behaviors of the constituent phases and phase boundaries in an aggressive acid brine solution at various imposed surface potentials. The microstructures were characterized in detail before and after the electrochemical tests to relate the electrochemical responses to changes in both the electrode surface and the solution composition. The results of microscopic, electrochemical, and solution analyses were used to develop equivalent circuit and physical models representing the measured corrosion behaviors of the different materials pertinent to long-term corrosion behavior. This report provides details regarding (1) the production of the composite materials, (2) the protocol for the electrochemical measurements and interpretations of the responses of multi-phase alloy and oxide composites, (3) relating corrosion behaviors to microstructures of multi-phase alloys based on 316L stainless steel and HT9 (410 stainless steel was used as a substitute) with added Mo, Ni, and/or Mn, and (4) modeling the corrosion behaviors and rates of several alloy/oxide composite materials made with added lanthanide and uranium oxides. These analyses show the corrosion behaviors of the alloy/ceramic composite materials are very similar to the corrosion behaviors of multi-phase alloy waste forms, and that the presence of oxide inclusions does not impact the corrosion behaviors of the alloy phases. Mixing with metallic waste streams is beneficial to lanthanide and uranium oxides in that they react with Zr in the fuel waste to form highly durable zirconates. The measured corrosion behaviors suggest properly formulated composite materials would be suitable waste forms for combined metallic and oxide waste streams generated during electrometallurgical reprocessing of spent nuclear fuel. Electrochemical methods are suitable for evaluating the durability and modeling long-term behavior of composite waste forms: the degradation model developed for metallic waste forms can be applied to the alloy phases formed in the composite and an affinity-based mineral dissolution model can be applied to the ceramic phases.« less

Au-Ag-Cu nano-alloys: tailoring of permittivity

NASA Astrophysics Data System (ADS)

Hashimoto, Yoshikazu; Seniutinas, Gediminas; Balčytis, Armandas; Juodkazis, Saulius; Nishijima, Yoshiaki

2016-04-01

Precious metal alloys enables new possibilities to tailor materials for specific optical functions. Here we present a systematic study of the effects of a nanoscale alloying on the permittivity of Au-Ag-Cu metals at 38 different atomic mixing ratios. The permittivity was measured and analyzed numerically by applying the Drude model. X-ray diffraction (XRD) revealed the face centered cubic lattice of the alloys. Both, optical spectra and XRD results point towards an equivalent composition-dependent electron scattering behavior. Correlation between the fundamental structural parameters of alloys and the resulting optical properties is elucidated. Plasmonic properties of the Au-Ag-Cu alloy nanoparticles were investigated by numerical simulations. Guidelines for designing plasmonic response of nano- structures and their patterns are presented from the material science perspective.

The Apparent Contact Angle and Wetted Area of Active Alloys on Silicon Carbide as a Function of the Temperature and the Surface Roughness: A Multivariate Approach

NASA Astrophysics Data System (ADS)

Tillmann, Wolfgang; Pfeiffer, Jan; Wojarski, Lukas

2015-08-01

Despite the broad field of applications for active filler alloys for brazing ceramics, as well as intense research work on the wetting and spreading behavior of these alloys on ceramic surfaces within the last decades, the manufactured joints still exhibit significant variations in their properties due to the high sensitivity of the alloys to changing brazing conditions. This increases the need for investigations of the wetting and spreading behavior of filler alloys with regard to the dominating influences combined with their interdependencies, instead of solely focusing on single parameter investigations. In this regard, measurements of the wetting angle and area were conducted at solidified AgCuTi and CuSnTi alloys on SiC substrates. Based on these measurements, a regression model was generated, illustrating the influence of the brazing temperature, the roughness of the faying surfaces, the furnace atmosphere, and their interdependencies on the wetting and spreading behavior of the filler alloys. It was revealed that the behavior of the melts was significantly influenced by the varied brazing parameters, as well as by their interdependencies. This result was also predicted by the developed model and showed a high accuracy.

Constitutive Model for Hot Deformation of the Cu-Zr-Ce Alloy

NASA Astrophysics Data System (ADS)

Zhang, Yi; Sun, Huili; Volinsky, Alex A.; Wang, Bingjie; Tian, Baohong; Liu, Yong; Song, Kexing

2018-02-01

Hot compressive deformation behavior of the Cu-Zr-Ce alloy has been investigated according to the hot deformation tests in the 550-900 °C temperature range and 0.001-10 s-1 strain rate range. Based on the true stress-true strain curves, the flow stress behavior of the Cu-Zr-Ce alloy was investigated. Microstructure evolution was observed by optical microscopy. Based on the experimental results, a constitutive equation, which reflects the relationships between the stress, strain, strain rate and temperature, has been established. Material constants n, α, Q and ln A were calculated as functions of strain. The equation predicting the flow stress combined with these materials constants has been proposed. The predicted stress is consistent with experimental stress, indicating that developed constitutive equation can adequately predict the flow stress of the Cu-Zr-Ce alloy. Dynamic recrystallization critical strain was determined using the work hardening rate method. According to the dynamic material model, the processing maps for the Cu-Zr and Cu-Zr-Ce alloy were obtained at 0.4 and 0.5 strain. Based on the processing maps and microstructure observations, the optimal processing parameters for the two alloys were determined, and it was found that the addition of Ce can promote the hot workability of the Cu-Zr alloy.

Predicting oxidation-limited lifetime of thin-walled components of NiCrW alloy 230

DOE PAGES

Duan, R.; Jalowicka, Aleksandra; Unocic, Kinga A.; ...

2016-10-18

Using alloy 230 as an example, a generalized oxidation lifetime model for chromia-forming Ni-base wrought alloys is proposed, which captures the most important damaging oxidation effects relevant for component design: wall thickness loss, scale spallation, and the occurrence of breakaway oxidation. For deriving input parameters and for verification of the model approach, alloy 230 specimens with different thicknesses were exposed for different times at temperatures in the range 950–1050 °C in static air. The studies focused on thin specimens (0.2–0.5 mm) to obtain data for critical subscale depletion processes resulting in breakaway oxidation within reasonably achievable test times up tomore » 3000 h. The oxidation kinetics and oxidation-induced subscale microstructural changes were determined by combining gravimetric data with results from scanning electron microscopy with energy dispersive X-ray spectroscopy. The modeling of the scale spallation and re-formation was based on the NASA cyclic oxidation spallation program, while a new model was developed to describe accelerated oxidation occurring after longer exposure times in the thinnest specimens. The calculated oxidation data were combined with the reservoir model equation, by means of which the relation between the consumption and the remaining concentration of Cr in the alloy was established as a function of temperature and specimen thickness. Based on this approach, a generalized lifetime diagram is proposed, in which wall thickness loss is plotted as a function of time, initial specimen thickness, and temperature. As a result, the time to reach a critical Cr level at the scale/alloy interface of 10 wt% is also indicated in the diagrams.« less

Constitutive Behavior of Mixed Sn-Pb/Sn-3.0Ag-0.5Cu Solder Alloys

NASA Astrophysics Data System (ADS)

Tucker, J. P.; Chan, D. K.; Subbarayan, G.; Handwerker, C. A.

2012-03-01

During the transition from Pb-containing solders to Pb-free solders, joints composed of a mixture of Sn-Pb and Sn-Ag-Cu often result from either mixed assemblies or rework. Comprehensive characterization of the mechanical behavior of these mixed solder alloys resulting in a deformationally complete constitutive description is necessary to predict failure of mixed alloy solder joints. Three alloys with 1 wt.%, 5 wt.%, and 20 wt.% Pb were selected so as to represent reasonable ranges of Pb contamination expected from different 63Sn-37Pb components mixed with Sn-3.0Ag-0.5Cu. Creep and displacement-controlled tests were performed on specially designed assemblies at temperatures of 25°C, 75°C, and 125°C using a double lap shear test setup that ensures a nearly homogeneous state of plastic strain at the joint interface. The observed changes in creep and tensile behavior with Pb additions were related to phase equilibria and microstructure differences observed through differential scanning calorimetric and scanning electron microscopic cross-sectional analysis. As Pb content increased, the steady-state creep strain rates increased, and primary creep decreased. Even 1 wt.% Pb addition was sufficient to induce substantially large creep strains relative to the Sn-3.0Ag-0.5Cu alloy. We describe rate-dependent constitutive models for Pb-contaminated Sn-Ag-Cu solder alloys, ranging from the traditional time-hardening creep model to the viscoplastic Anand model. We illustrate the utility of these constitutive models by examining the inelastic response of a chip-scale package (CSP) under thermomechanical loading through finite-element analysis. The models predict that, as Pb content increases, total inelastic dissipation decreases.

Predicting oxidation-limited lifetime of thin-walled components of NiCrW alloy 230

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duan, R.; Jalowicka, Aleksandra; Unocic, Kinga A.

Using alloy 230 as an example, a generalized oxidation lifetime model for chromia-forming Ni-base wrought alloys is proposed, which captures the most important damaging oxidation effects relevant for component design: wall thickness loss, scale spallation, and the occurrence of breakaway oxidation. For deriving input parameters and for verification of the model approach, alloy 230 specimens with different thicknesses were exposed for different times at temperatures in the range 950–1050 °C in static air. The studies focused on thin specimens (0.2–0.5 mm) to obtain data for critical subscale depletion processes resulting in breakaway oxidation within reasonably achievable test times up tomore » 3000 h. The oxidation kinetics and oxidation-induced subscale microstructural changes were determined by combining gravimetric data with results from scanning electron microscopy with energy dispersive X-ray spectroscopy. The modeling of the scale spallation and re-formation was based on the NASA cyclic oxidation spallation program, while a new model was developed to describe accelerated oxidation occurring after longer exposure times in the thinnest specimens. The calculated oxidation data were combined with the reservoir model equation, by means of which the relation between the consumption and the remaining concentration of Cr in the alloy was established as a function of temperature and specimen thickness. Based on this approach, a generalized lifetime diagram is proposed, in which wall thickness loss is plotted as a function of time, initial specimen thickness, and temperature. As a result, the time to reach a critical Cr level at the scale/alloy interface of 10 wt% is also indicated in the diagrams.« less

Finite element analysis of the upsetting of a 5056 aluminum alloy sample with consideration of its microstructure

NASA Astrophysics Data System (ADS)

Voronin, S. V.; Chaplygin, K. K.

2017-12-01

Computer simulation of upsetting the finite element models (FEMs) of an isotropic 5056 aluminum alloy sample and a 5056 aluminum alloy sample with consideration of microstructure is carried out. The stress and strain distribution patterns at different process stages are obtained. The strain required for the deformation of the FEMs of 5056 alloy samples is determined. The influence of the material microstructure on the stress-strain behavior and technological parameters are demonstrated.

Influence of Li₂Sb Additions on Microstructure and Mechanical Properties of Al-20Mg₂Si Alloy.

PubMed

Yu, Hong-Chen; Wang, Hui-Yuan; Chen, Lei; Zha, Min; Wang, Cheng; Li, Chao; Jiang, Qi-Chuan

2016-03-29

It is found that Li₂Sb compound can act as the nucleus of primary Mg₂Si during solidification, by which the particle size of primary Mg₂Si decreased from ~300 to ~15-25 μm. Owing to the synergistic effect of the Li₂Sb nucleus and adsorption-poisoning of Li atoms, the effect of complex modification of Li-Sb on primary Mg₂Si was better than that of single modification of Li or Sb. When Li-Sb content increased from 0 to 0.2 and further to 0.5 wt.%, coarse dendrite changed to defective truncated octahedron and finally to perfect truncated octahedral shape. With the addition of Li and Sb, ultimate compression strength (UCS) of Al-20Mg₂Si alloys increased from ~283 to ~341 MPa and the yield strength (YS) at 0.2% offset increased from ~112 to ~179 MPa while almost no change was seen in the uniform elongation. Our study offers a simple method to control the morphology and size of primary Mg₂Si, which will inspire developing new Al-Mg-Si alloys with improved mechanical properties.

Pressure Resistance Welding of High Temperature Metallic Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

N. Jerred; L. Zirker; I. Charit

2010-10-01

Pressure Resistance Welding (PRW) is a solid state joining process used for various high temperature metallic materials (Oxide dispersion strengthened alloys of MA957, MA754; martensitic alloy HT-9, tungsten etc.) for advanced nuclear reactor applications. A new PRW machine has been installed at the Center for Advanced Energy Studies (CAES) in Idaho Falls for conducting joining research for nuclear applications. The key emphasis has been on understanding processing-microstructure-property relationships. Initial studies have shown that sound joints can be made between dissimilar materials such as MA957 alloy cladding tubes and HT-9 end plugs, and MA754 and HT-9 coupons. Limited burst testing ofmore » MA957/HT-9 joints carried out at various pressures up to 400oC has shown encouraging results in that the joint regions do not develop any cracking. Similar joint strength observations have also been made by performing simple bend tests. Detailed microstructural studies using SEM/EBSD tools and fatigue crack growth studies of MA754/HT-9 joints are ongoing.« less

Liquid-phase synthesis of vertically aligned carbon nanotubes and related nanomaterials on preheated alloy substrates

NASA Astrophysics Data System (ADS)

Yamagiwa, Kiyofumi

2018-02-01

Carbon nanotubes (CNTs) and related nanocarbons were selectively synthesized on commercially available alloy substrates by a simple liquid-phase technique. Fe- and Ni-rich stainless-steel (JIS SUS316L and Inconel®600, respectively) and Ni-Cu alloy (Monel®400) substrates were used for the synthesis, and each substrate was preheated in air to promote the self-formation of catalyst nanolayers on the surface. The substrates were resistance heated in ethanol without any addition of catalysts to grow CNTs. The yield of the CNTs effectively increased when the preheating process was employed. Highly aligned CNT arrays grew on the SUS316L substrate, while non-aligned CNTs and distinctive twisted fibers were observed on the other substrates. An Fe oxide layer was selectively formed on the preheated SUS316L substrate promoting the growth of the CNT arrays. Characterizations including cyclic voltammetry for the arrays revealed that the CNTs possess a comparatively defect-rich surface, which is a desirable characteristic for its application such as electrode materials for capacitors.

Interface Promoted Reversible Mg Insertion in Nanostructured Tin-Antimony Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Yingwen; Shao, Yuyan; Parent, Lucas R.

This paper demonstrates intermetallic compounds SnSb are highly active materials for reversibly hosting Mg ions. Compared with monometallic Sn and Sb, SnSb alloy exhibited exceptionally high reversible capacity (420 mAh/g), excellent rate capability and good cyclic stability. Mg insertion into pristine SnSb involves an activation process to complete, which induces particle breakdown and results in phase segregation to Sn-rich and Sb-rich phases. Both experimental analysis and DFT simulation suggest that the Sn-rich phase is particularly active and provides most of the capacity whereas the Sb-rich phase is not as active, and the interface between these two phases play a keymore » role in promoting the formation and stabilization of the cubic Sn phase that is more favorable for fast and reversible Mg insertion. We further show that activated SnSb alloy has good compatibility with simple Mg electrolytes. Overall, this work could provide new approaches for designing materials capable of reversible Mg ion insertion and new opportunities for understanding Mg electrochemistry.« less

One-step electrodeposition process to fabricate corrosion-resistant superhydrophobic surface on magnesium alloy.

PubMed

Liu, Qin; Chen, Dexin; Kang, Zhixin

2015-01-28

A simple, one-step method has been developed to construct a superhydrophobic surface by electrodepositing Mg-Mn-Ce magnesium plate in an ethanol solution containing cerium nitrate hexahydrate and myristic acid. Scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy were employed to characterize the surfaces. The shortest electrodeposition time to obtain a superhydrophobic surface was about 1 min, and the as-prepared superhydrophobic surfaces had a maximum contact angle of 159.8° and a sliding angle of less than 2°. Potentiodynamic polarization and electrochemical impedance spectroscopy measurements demonstrated that the superhydrophobic surface greatly improved the corrosion properties of magnesium alloy in 3.5 wt % aqueous solutions of NaCl, Na2SO4, NaClO3, and NaNO3. Besides, the chemical stability and mechanical durability of the as-prepared superhydrophobic surface were also examined. The presented method is rapid, low-cost, and environmentally friendly and thus should be of significant value for the industrial fabrication of anticorrosive superhydrophobic surfaces and should have a promising future in expanding the applications of magnesium alloys.

Hollow PdCo alloy nanospheres with mesoporous shells as high-performance catalysts for methanol oxidation.

PubMed

Sheng, Guoqing; Chen, Jiahui; Ye, Huangqing; Hu, Zhixiong; Fu, Xian-Zhu; Sun, Rong; Huang, Weixin; Wong, Ching-Ping

2018-07-15

Monodisperse hollow mesoporous PdCo alloy nanospheres are prepared via a simple galvanic replacement reaction. The as-prepared PdCo hollow nanospheres have small diameter, such as Pd 78 Co 22 nanospheres of diameter about 25 nm and mesoporous shells about 4-5 nm. The Pd 78 Co 22 hollow mesoporous nanospheres possess the largest electrochemical active surface areas (ECSA, 53.91 m 2  g -1 ), mass activity (1488 mA mg -1 ) and specific activity (2.76 mA cm -2 ) towards to methanol oxidation relative to the Pd 68 Co 32 , Pd 92 Co 8 hollow mesoporous nanospheres and commercial Pd/C catalysts. Moreover, the activity of Pd 78 Co 22 after long-term stability tests is still the best and even better than those of fresh Pd 68 Co 32 and commercial Pd/C catalysts. The PdCo catalysts not only effectively reduce the Pd usage by forming hollow structure, but also fully realize the Pd-Co alloying effects for enhancing the methanol oxidation catalytic performance. Copyright © 2018 Elsevier Inc. All rights reserved.

Viscoplastic deformations and compressive damage in an A359/SiC{sub p} metal-matrix composite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Y.; Ramesh, K.T.; Chin, E.S.C.

2000-04-19

Recent work by the authors has examined the high-strain-rate compression of a metal-matrix composite consisting of an A359 Al alloy matrix reinforced by 20 vol.% of silicon carbide particulates (SiC{sub p}). The work-hardening that is observed in the experiments is much lower than that predicted by analytical and computational models which assume perfect particle-matrix interfaces and undamaged particles. In this work, the authors show that the discrepancy is a result of particle damage that develops within the A359/SiC{sub p} composite under compression. The evolution of particle damage has been characterized using quantitative microscopy, and is shown to be a functionmore » of the applied strain. A simple analytical model that incorporates evolving damage within the composite is proposed, and it is shown that the analytical predictions are consistent with the experimental observations over a wide range of strain rates.« less

Evaporative segregation in 80% Ni-20% Cr and 60% Fe-40% Ni alloys

NASA Technical Reports Server (NTRS)

Gupta, K. P.; Mukherjee, J. L.; Li, C. H.

1974-01-01

An analytical approach is outlined to calculate the evaporative segregation behavior in metallic alloys. The theoretical predictions are based on a 'normal' evaporation model and have been examined for Fe-Ni and Ni-Cr alloys. A fairly good agreement has been found between the predicted values and the experimental results found in the literature.

Measurement of the residual stress distribution in a thick pre-stretched aluminum plate

NASA Astrophysics Data System (ADS)

Yuan, S. X.; Li, X. Q.; M, S.; Zhang, Y. C.; Gong, Y. D.

2008-12-01

Thick pre-stretched aluminum alloy plates are widely used in aircraft, while machining distortion caused by initial residual stress release in thick plates is a common and serious problem. To reduce the distortion, the residual stress distribution in thick plate must be measured. According to the characteristics of the thick pre-stretched aluminum alloy plate, based the elastic mechanical theory, this article deduces the modified layer-removal strain method adapting two different strain situations, which are caused by tensile and compressive stress. To validate this method, the residual stresses distribution along the thick direction of plate 2D70T351 is measured by this method, it is shown that the new method deduced in this paper is simple and accurate, and is very useful in engineering.

Surface preparation of Ti-3Al-2.5V alloy tubes for welding using a fiber laser

NASA Astrophysics Data System (ADS)

Kumar, Aniruddha; Gupta, Mool C.

2009-11-01

Ti-3Al-2.5V tubes are widely used in aircraft hydraulic systems. Meticulous surface preparation before welding is necessary to obtain a sound weld involving these alloy tubes. Conventionally this is done by cleaning with environmentally malign toxic chemicals, such as, hydrofluoric acid and nitric acid. This paper describes the laser-cleaning process of the surface of these tubes with a fiber laser as a preparation for pulsed gas tungsten arc welding and results obtained. A simple one-dimensional heat equation has been solved to evaluate the temperature profile of the irradiated surface. It is shown that surface preparation by laser cleaning can be an environmentally friendly alternative process by producing acceptable welds with laser-processed tubes.

The Effect of CO2 Pressure on Chromia Scale Microstructure at 750°C

NASA Astrophysics Data System (ADS)

Pint, B. A.; Unocic, K. A.

2018-06-01

To understand and model performance in supercritical CO2 (sCO2) for high-efficiency, concentrating solar power (CSP) and fossil energy power cycles, reaction rates are compared at 750°C in 0.1 MPa CO2 and 30 MPa sCO2 as well as laboratory air as a baseline on structural materials such as Ni-based alloy 625. Due to the thin reaction products formed even after 5000 h, scanning transmission electron microscopy was used to study the Cr-rich surface oxide scale. The scales formed in CO2 and sCO2 had a much finer grain size with more voids observed in CO2. However, the observations on alloy 625 were complicated by Mo and Nb-rich precipitates in the adjacent substrate and Al internal oxidation. To simplify the system, a binary Ni-22Cr alloy was exposed for 1000 h in similar environments. After exposure in sCO2, there was an indication of carbon segregation detected on the Cr2O3 grain boundaries. After exposure in air, metallic Ni precipitates were observed in the scale that were not observed in the scale formed on alloy 625. The scale formed in air on a second Ni-22Cr model alloy with Mn and Si additions did not contain Ni precipitates, suggesting caution when drawing conclusions from model alloys.

High-Throughput Study of Diffusion and Phase Transformation Kinetics of Magnesium-Based Systems for Automotive Cast Magnesium Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Alan A; Zhao, Ji-Cheng; Riggi, Adrienne

The objective of the proposed study is to establish a scientific foundation on kinetic modeling of diffusion, phase precipitation, and casting/solidification, in order to accelerate the design and optimization of cast magnesium (Mg) alloys for weight reduction of U.S. automotive fleet. The team has performed the following tasks: 1) study diffusion kinetics of various Mg-containing binary systems using high-throughput diffusion multiples to establish reliable diffusivity and mobility databases for the Mg-aluminum (Al)-zinc (Zn)-tin (Sn)-calcium (Ca)-strontium (Sr)-manganese (Mn) systems; 2) study the precipitation kinetics (nucleation, growth and coarsening) using both innovative dual-anneal diffusion multiples and cast model alloys to provide largemore » amounts of kinetic data (including interfacial energy) and microstructure atlases to enable implementation of the Kampmann-Wagner numerical model to simulate phase transformation kinetics of non-spherical/non-cuboidal precipitates in Mg alloys; 3) implement a micromodel to take into account back diffusion in the solid phase in order to predict microstructure and microsegregation in multicomponent Mg alloys during dendritic solidification especially under high pressure die-casting (HPDC) conditions; and, 4) widely disseminate the data, knowledge and information using the Materials Genome Initiative infrastructure (http://www.mgidata.org) as well as publications and digital data sharing to enable researchers to identify new pathways/routes to better cast Mg alloys.« less

Spin-Polarized Tunneling at Interfaces Between Oxides and Metals or Semiconductors

DTIC Science & Technology

2006-09-01

solution 3 3. Several miscellaneous compounds , including molecular oxygen and organic biradicals 4. Metals When a variable magnetic field is...substrate layer) Heusler alloys are considered to be prime candidates, because they show great potential for spin-injection contacts to compound and...usually employ simple parabolic bands and/or momentum and energy independent tunneling matrix elements. The classical theory of tunneling assumes that the

Investigation of passive films formed on the surface of alloy 690 in borate buffer solution

NASA Astrophysics Data System (ADS)

Jinlong, Lv; Tongxiang, Liang; Chen, Wang; Wenli, Guo

2015-10-01

The passive film formed on the surface of the alloy 690 in borate buffer solution was studied by potentiodynamic curves and electrochemical impedance spectroscopy. With the increasing of the passivation potential, the corrosion resistance of the alloy 690 reduced. Moreover, the corrosion resistance of the passive film was the lowest in the vicinity of 0.6 VSCE. These results were supported by XPS and Mott-Schottky analyses. The corrosion resistance of the alloy 690 increased with the increasing of passivated potential in borate buffer solution with chloride ion. The chloride ion decreased corrosion resistance of the alloy 690 according to point defect model.

Electrochemical Impedance Analysis of β-TITANIUM Alloys as Implants in Ringers Lactate Solution

NASA Astrophysics Data System (ADS)

Bhola, Rahul; Bhola, Shaily M.; Mishra, Brajendra; Olson, David L.

2010-02-01

Commercially pure titanium and two β-titanium alloys, TNZT and TMZF, have been characterized using various electrochemical techniques for their corrosion behavior in Ringers lactate solution. The variation of corrosion potential and solution pH with time has been discussed. Electrochemical Impedance Spectroscopy has been used to fit the results into a circuit model. The stability of the oxides formed on the surface of these alloys has been correlated with impedance phase angles. Cyclic Potentiodynamic Polarization has been used to compute the corrosion parameters for the alloys. TMZF is found to be a better β-alloy as compared to TNZT.

Heterogeneity in ultrathin films simulated by Monte Carlo method

NASA Astrophysics Data System (ADS)

Sun, Jiebing; Hannon, James B.; Kellogg, Gary L.; Pohl, Karsten

2007-03-01

The 3D composition profile of ultra-thin Pd films on Cu(001) has been experimentally determined using low energy electron microscopy (LEEM).^[1] Quantitative measurements of the alloy concentration profile near steps show that the Pd distribution in the 3^rd layer is heterogeneous due to step overgrowth during Pd deposition. Interestingly, the Pd distribution in the 2^nd layer is also heterogeneous, and appears to be correlated with the distribution in the 1^st layer. We describe Monte Carlo simulations that show that correlation is due to Cu-Pd attraction, and that the 2^nd layer Pd is, in fact, laterally equilibrated. By comparing measured and simulated concentration profiles, we can estimate this attraction within a simple bond counting model. [1] J. B. Hannon, J. Sun, K. Pohl, G. L. Kellogg, Phys. Rev. Lett. 96, 246103 (2006)

Finite element predictions of active buckling control of stiffened panels

NASA Astrophysics Data System (ADS)

Thompson, Danniella M.; Griffin, O. H., Jr.

1993-04-01

Materials systems and structures that can respond 'intelligently' to their environment are currently being proposed and investigated. A series of finite element analyses was performed to investigate the potential for active buckling control of two different stiffened panels by embedded shape memory alloy (SMA) rods. Changes in the predicted buckling load increased with the magnitude of the actuation level for a given structural concept. Increasing the number of actuators for a given concept yielded greater predicted increases in buckling load. Considerable control authority was generated with a small number of actuators, with greater authority demonstrated for those structural concepts where the activated SMA rods could develop greater forces and moments on the structure. Relatively simple and inexpensive analyses were performed with standard finite elements to determine such information, indicating the viability of these types of models for design purposes.