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At least 649 records · Page 36

Effects of Encapsulant Properties on the Thermo-Mechanical Reliability of Double-Side Cooled Power Modules for Traction Inverters

Double-side cooled power modules are being developed for next-generation traction inverters due to their better heat extraction, lower profile, and lower parasitic inductances. However, due to their rigid structure, they cause reliability concerns arising from high thermo-mechanical stresses at the interconnection joints in the module. In this work, a materials-based approach using rigid encapsulants is presented for reducing thermo-mechanical fatigue. Finite-element thermo- mechanical simulations were performed to examine the effects of the elastic modulus and coefficient of thermal expansion of epoxy- based encapsulants on the bond deformation inside a double-side cooled power module. It was found that a rigid encapsulant with a high modulus of 6.0 GPa or above and a coefficient of thermal expansion around 20 ppm/oC would improve the thermo- mechanical reliability of double-side cooled power modules by decreasing the permanent bond deformation inside the modules by 50-60%.

ADVANCED PROPULSION SYSTEMS↗

High sensitivity pump–probe measurements of magnetic, thermal, and acoustic phenomena with a spectrally tunable oscillator

We describe an optical pump/probe system for sensitive measurements of time-resolved optical measurements of material dynamics. The instrument design is optimized for time-resolved magneto-optic Kerr effect (TR-MOKE) measurements of dynamics in magnetic materials. The system also allows for time-domain thermoreflectance (TDTR) measurements of thermal transport properties and picosecond acoustic measurements of film thickness and/or elastic constants. The system has several advantages over the conventional designs for TRMOKE and/or TDTR systems. Measurements of pump-induced changes to the probe beam intensity are shot-noise limited. The system’s design allows for MOKE and/or thermoreflectance measurements of both sides of a sample. Pumping and probing the sample on opposite sides allows nanoscale flash diffusivity measurements of transport properties. The wavelengths of the pump and probe beams are straightforward to tune between 350–525 nm and 690–1050 nm. A tunable wavelength allows for optical resonances in a wide array of materials to be excited and/or probed. Finally, the setup is calibrated to allow for the real and imaginary components of Kerr signals to be separately quantified.

47 OTHER INSTRUMENTATION↗

Dislocation transmission across Σ3{112} incoherent twin boundary: a combined atomistic and phase-field study

Grain boundaries (GBs) in polycrystalline materials act as impediments to dislocation motion and result in strengthening. Understanding slip transmission through GBs, specifically twin boundaries, is essential to understand the plastic deformation behavior of polycrystalline fcc materials. Here the interaction between a glide dislocation and Σ3{112} incoherent twin boundary (ITB) in copper is investigated using a combined atomistic and mesoscale approach. The material parameters and structure of the GB in the mesoscale phase field dislocation dynamics (PFDD) model are informed from Molecular Statics (MS) simulations. The structural unit of the ITB consists of an array of three partial dislocations. The interaction between a glide dislocation impinging on each of the GB partial dislocations is investigated using both PFDD and Molecular Dynamics (MD) with two boundary conditions. Transmission planes predicted by both PFDD and MD (NVT) are in agreement, and show that not all transmission events are direct. Critical transmission stresses predicted by PFDD are in the range of 276 MPa to 1380 MPa, while MD predictions are in the range from 100 MPa to 700 MPa. The PFDD and MD predictions of slip transmission are explained using dislocation theory based on isotropic linear elasticity.

36 MATERIALS SCIENCE↗

Mechanical Behavior of High-Entropy Alloys: A Review

High-entropy alloys (HEAs) are materials that consist of equimolar or near-equimolar multiple principal components but tend to form single phases, which is a new research topic in the field of metallurgy, and have attracted extensive attention in the past decade. The HEAs families contain the face-centered-cubic (fcc), body-centered-cubic (bcc), and hexagonal-close-packed (hcp)-structured HEAs. On the one hand, mechanical properties, e.g., hardness, strength, ductility, fatigue, and elastic moduli, are essential for practical applications of HEAs. Scientists have explored in this direction since the advent of HEAs. On the other hand, the pursuit of high strength and good plasticity is the critical research issue of materials. Hence, strengthening of HEAs is a crucial issue.In this chapter, we reviewed the recent work on the room-temperature elastic properties and mechanical behavior of HEAs, including the mechanisms behind the plastic deformation of HEAs at both low and high temperatures. Furthermore, the present work examined the strengthening strategies of HEAs, e.g., strain hardening, grain-boundary strengthening, solid-solution strengthening, and particle strengthening. The fatigue, creep, and fracture properties were briefly introduced. Lastly, the future scientific issues and challenges of HEAs were discussed.

Shang, Yuanyuan↗

Solution and sensitivity analysis of nonlinear equations using a hypercomplex-variable Newton-Raphson method

Here, the classical Newton-Raphson (NR) method for solving nonlinear equations is enhanced in two ways through the use of hypercomplex variables and algebra. In particular, i) the Jacobian is computed in a highly accurate and automated way, and ii) the derivative of the solution to the nonlinear equations is computed with respect to any parameter contained within the system of equations. These advances provide two significant enhancements in that it is straightforward to provide an accurate Jacobian and to construct a reduced order model (ROM) of arbitrary order with respect to any parameter of the system. The ROM can then be used to approximate the solution for other parameter values without requiring additional solutions of the nonlinear equations. Several case studies are presented including 1D and 2D academic examples with fully functioning Python code provided. Additionally, a case of study of the catenary of an elastic cable subject to its own weight and a vertical point load. Derivatives up to 10th order were computed with respect to material, loading, and geometrical parameters. The derivatives were used to generate reduced order models of the cable deformation and reaction forces at its ends with respect to multiple input parameters. Results show that from a single hypercomplex evaluation of the cable under a single vertical point load, it is possible to generate an accurate reduced order model capable of predicting the cable deformation with 1.5 times the load in the opposite direction and with 3.5 times the load in the same direction without resolving the system of equations.

97 MATHEMATICS AND COMPUTING↗

Nonlocal elastic metasurfaces: Enabling broadband wave control via intentional nonlocality

While elastic metasurfaces offer a remarkable and very effective approach to the subwavelength control of stress waves, their use in practical applications is severely hindered by intrinsically narrow band performance. In applications to electromagnetic and photonic metamaterials, some success in extending the operating dynamic range was obtained by using nonlocality. However, while electronic properties in natural materials can show significant nonlocal effects, even at the macroscales, in mechanics, nonlocality is a higher-order effect that becomes appreciable only at the microscales. This study introduces the concept of intentional nonlocality as a fundamental mechanism to design passive elastic metasurfaces capable of an exceptionally broadband operating range. The nonlocal behavior is achieved by exploiting nonlocal forces, conceptually akin to long-range interactions in nonlocal material microstructures, between subsets of resonant unit cells forming the metasurface. These long-range forces are obtained via carefully crafted flexible elements, whose specific geometry and local dynamics are designed to create remarkably complex transfer functions between multiple units. The resulting nonlocal coupling forces enable achieving phase-gradient profiles that are functions of the wavenumber of the incident wave. The identification of relevant design parameters and the assessment of their impact on performance are explored via a combination of semianalytical and numerical models. The nonlocal metasurface concept is tested, both numerically and experimentally, by embedding a total-internal-reflection design in a thin-plate waveguide. Results confirm the feasibility of the intentionally nonlocal design concept and its ability to achieve a fully passive and broadband wave control.

36 MATERIALS SCIENCE↗

Hidden first-order phase transitions and large magnetocaloric effects in GdNi 1-x Co x

We report a large magnetocaloric effect tunable between 70 and 115 K in a series of rare earth intermetallic compounds GdNi 1-x Co x with x varying from 0 to 0.15 that manifest rather unconventional second-order phase transitions with concurrent changes in both magnetic and crystallographic sublattices. While the Curie temperature, TC, linearly increases with x(Co), the maximum isothermal entropy change induced by magnetic field varying between 0 and 50 kOe slightly decreases from 14 J/kg K at 71 K when x(Co) = 0 to10 J/kg K at 115 K when x(Co) = 0.15. Additionally, the temperature-averaged entropy change figures of merit calculated at temperature spans of 10 K for all examined compositions are comparable to those of the best known magnetocaloric materials that exhibit second-order phase transitions, including elemental Gd and La(Fe,Co,Si) 13 alloys. Through a detailed analysis of the magnetic field-induced entropy changes along with assessment of critical exponents we explore the role magneto-elastic coupling plays in controlling magnetocaloric properties of GdNi 1-x Co x compounds. We also formulate a model based on the mean field theory approximation to describe both magnetic and magnetocaloric properties of the title materials in qualitative agreement with experimental results.

36 MATERIALS SCIENCE↗

Piezomagnetic switching and complex phase equilibria in uranium dioxide

Abstract Actinide materials exhibit strong spin–lattice coupling and electronic correlations, and are predicted to host new emerging ground states. One example is piezomagnetism and magneto-elastic memory effect in the antiferromagnetic Mott-Hubbard insulator uranium dioxide, though its microscopic nature is under debate. Here, we report X-ray diffraction studies of oriented uranium dioxide crystals under strong pulsed magnetic fields. In the antiferromagnetic state a [888] Bragg diffraction peak follows the bulk magnetostriction that expands under magnetic fields. Upon reversal of the field the expansion turns to contraction, before the [888] peak follows the switching effect and piezomagnetic ‘butterfly’ behaviour, characteristic of two structures connected by time reversal symmetry. An unexpected splitting of the [888] peak is observed, indicating the simultaneous presence of time-reversed domains of the 3-k structure and a complex magnetic-field-induced evolution of the microstructure. These findings open the door for a microscopic understanding of the piezomagnetism and magnetic coupling across strong magneto-elastic interactions.

36 MATERIALS SCIENCE↗

Origin of charge density wave in topological semimetals SrAl 4 and EuAl 4

Topological semimetals in BaAl 4 -type structure show many interesting behaviors, such as charge density wave (CDW) in SrAl 4 and EuAl 4 , but not the isostructural and isovalent BaAl 4 , SrGa 4 , and BaGa 4 . Here using Wannier functions based on density functional theory, we calculate the susceptibility functions with millions of k-points to reach the small q-vector and study the origin and driving force behind the CDW. Our comparative study reveals that the origin of the CDW in SrAl 4 and EuAl 4 is the strong electron-phonon coupling interaction for the transverse acoustic mode at small q-vector along the Γ-Z direction besides the maximum of the real part of the susceptibility function from the nested Fermi surfaces of the Dirac-like bands, which explains well the absence of CDW in the other closely related compounds in a good agreement with experiment. We also connect the different CDW behaviors in the Al compounds to the macroscopic elastic properties.

36 MATERIALS SCIENCE↗

Fluctuations and Pinning for Individually Manipulated Skyrmions

We numerically examine the dynamics of individually dragged skyrmions interacting simultaneously with an array of other skyrmions and quenched disorder. For drives just above depinning, we observe a broadband noise signal with a 1/ f characteristic, while at higher drives, narrowband or white noise appears. Even in the absence of quenched disorder, the threshold force that must be applied to translate the driven skyrmion is finite due to elastic interactions with other skyrmions. The depinning threshold increases as the strength of the quenched disorder is raised. Above the depinning force, the skyrmion moves faster in the presence of quenched disorder than in a disorder-free system since the pinning sites prevent other skyrmions from being dragged along with the driven skyrmion. For strong pinning, we find a stick-slip motion of the driven skyrmion which produces a telegraph noise signature. The depinning threshold increases monotonically with skyrmion density in the absence of quenched disorder, but when pinning is present, the depinning threshold changes nonmonotonically with skyrmion density, and there are reentrant pinned phases due to a competition between pinning induced by the quenched disorder and that produced by the elastic interactions of the skyrmion lattice.

36 MATERIALS SCIENCE↗

Instrument for in situ hard x-ray nanobeam characterization during epitaxial crystallization and materials transformations

Solid-phase epitaxy (SPE) and other three-dimensional epitaxial crystallization processes pose challenging structural and chemical characterization problems. The concentration of defects, the spatial distribution of elastic strain, and the chemical state of ions each vary with nanoscale characteristic length scales and depend sensitively on the gas environment and elastic boundary conditions during growth. The lateral or three-dimensional propagation of crystalline interfaces in SPE has nanoscale or submicrometer characteristic distances during typical crystallization times. Here, an in situ synchrotron hard x-ray instrument allows these features to be studied during deposition and crystallization using diffraction, resonant scattering, nanobeam and coherent diffraction imaging, and reflectivity. The instrument incorporates a compact deposition system allowing the use of short-working-distance x-ray focusing optics. Layers are deposited using radio-frequency magnetron sputtering and evaporation sources. The deposition system provides control of the gas atmosphere and sample temperature. The sample is positioned using a stable mechanical design to minimize vibration and drift and employs precise translation stages to enable nanobeam experiments. Results of in situ x-ray characterization of the amorphous thin film deposition process for a SrTiO 3 /BaTiO 3 multilayer illustrate implementation of this instrument.

47 OTHER INSTRUMENTATION↗

Flexoelectricity and New Phenomena

It is easy to miss the scientific implications of our recent work on Triboelectricity. Everyone knows that rubbing and contact can produce static electricity; less appreciated is that the thermodynamic driver has been an open question since static electricity was first observed by Thales of Miletus around 585 BC. People think they understand it, for instance one common explanation that can still be found in the current literature is that differences in the work function drives charge transfer, often called the Volta-Helmholtz hypothesis. As summarized in 1967 by Harper, this fails to explain many experimental observations, for instance that charging can occur when two pieces of the same material are rubbed against each other. We are the first to place triboelectricity on a solid foundation rooted in quantum mechanics – the flexoelectric effect. We were able to explain a significant number of previously unexplained phenomena: 1) Bipolar tribocurrents associated with stick-slip, due to the change in sign of the strain gradients. 2) A one-third power scaling of tribocurrents with indentation force. 3) Tribocharging when two identical materials are used, these being due to local variations in the asperities so there are usually local potential differences. 4) Inhomogeneous charging of insulators, related to the statistical nature of asperities. 5) An experimentally observed reversal in the sign of charge transfer for negative and positive curvature, which is related to a change in the sign of the strain gradient. Exploiting our DOE prior funded work on flexoelectricity, we obtained semi-quantitative matching to existing experimental measurements of the surface charge in triboelectric experiments. The work has been well received in the literature. The work has been the focus of a number of popular science press articles, and also formed the basis for a Podcast for children 6-10 “The Rise and Fall of Static Man” posted in December 2019 by NPR as part of their “Wow in the World” series. I was also briefly interviewed by the Chicago PBS station in January 2020. This work are significant for a wide range of energy applications; to quote from an independent source: "Triboelectric power has plenty of potential, says Wenzhuo Wu, an assistant professor of engineering at Purdue. If the basics of static electricity are better understood, we could maximize the efficiency of wind or wave power generators, Wu says. The body's own movement could be used to power internal medical devices. Imagine being able to create a roof shaped to harness the power of a raindrop — the friction of the rain passing over the surface — to generate triboelectricity, powering the building below it." This is the start of new science, some of which we already partially understand such as the role of band bending in charge transfer. We need to understand charge transfer combining elasticity, quantum mechanics, band bending and defect states. These directly involve several of the DOE Grand Challenges: "How do we control material processes at the level of electrons? How do remarkable properties of matter emerge from complex correlations of the atomic or electronic constituents and how can we control these properties? How do we characterize and control matter away—especially very far away— from equilibrium?" I will argue that this work truly falls into the class of disruptive science; it is not just a simple extension, linear science. Not everyone will accept the approach. Since we explain far more about triboelectricity than anyone before, the preponderance of evidence supports the model. The feedback I have received is that many agree with the work, to quote: "The model makes sense, says Michael McAlpine, a professor of engineering at the University of Minnesota. "It's such a simple explanation, I was surprised I didn't put my finger on that," McAlpine says." The proposal received strong reviews. It was also publicized on the Department of Energy Web Site.

16 TIDAL AND WAVE POWER↗

Sound Velocity of Hematite up to 13 GPa

We performed acoustic measurements on polycrystalline hematite using ultrasonic interferometric techniques in a Kawai-type multi-anvil apparatus. The elastic moduli and their pressure derivatives were determined by fitting the experimental data to third-order finite strain equations, yielding: 𝐾 𝑆,0 = 214.8 (20) GPa, 𝐺 0 = 92.0 (2) GPa, 𝐾$^{′}_{S,0}$ = 5.70 (1), and 𝐺$^{′}_{0}$ = 0.88 (4). Modeling of the velocity profiles of hematite along hot and cold slab geotherms shows that compressional (V P ) and shear (V S ) wave velocities are 22%–24% and 53%–55% lower, respectively, compared to the Preliminary Reference Earth Model at the top of the lower mantle. Furthermore, these findings likely offer a potential explanation for the low-velocity anomalies associated with slab graveyards at the base of the lower mantle.

36 MATERIALS SCIENCE↗

Upcycling of Polystyrene Waste to Poly(ionic liquid) Materials

The C–H functionalization of commodity polymers could be a promising approach for upcycling plastic waste into advanced materials, which can alter the properties of the original materials through the introduction of different functionalities onto the existing backbone structures. In this study, waste polystyrene (PS) was modified by Friedel–Crafts acylation using 4-chlorobutyryl chloride (4-CBC) followed by reaction with N-alkylimidazoles to form cationic polyelectrolytes. These methods provide access to what are essentially poly(ionic liquid) (poly(IL)) materials with properties that are distinctly different from those of the PS from which they were formed. In one notable example, the glass transition temperature (T g ) of imidazolium-functionalized PS was ∼16 °C, which is a nearly 90 °C reduction from PS. This is also evidenced by macroscopic mechanical properties where the poly(IL) product is highly elastic in stark contrast to brittle PS. Moreover, the resulting ionomers showed self-healing behaviors in the presence of a “free” IL further contributing to the utility of the materials. Here, the methods in this work can open opportunities to utilize waste PS to obtain a vast array of poly(IL) materials with highly tailored structures and properties.

36 MATERIALS SCIENCE↗

From anti-Arrhenius to Arrhenius behavior in a dislocation-obstacle bypass: Atomistic simulations and theoretical investigation

Dislocations are the primary carriers of plasticity in metallic materials. Understanding the basic mechanisms for dislocation movement is paramount to predicting the material mechanical response. Relying on atomistic simulations, we observe a transition from non-Arrhenius to Arrhenius behavior in the rate of an edge dislocation overcoming the long-range elastic interaction with a prismatic loop in tungsten. Close to the critical resolved shear stress, the process shows a non-Arrhenius behavior at low temperatures. However, as the temperature increases, the activation entropy starts to dominate, leading to a traditional Arrhenius-like behavior. Here, we have computed the activation entropy analytically along the minimum energy path following Schoeck’s method, which captures the cross-over between anti-Arrhenius and Arrhenius domains. Also, the Projected Average Force Integrator (PAFI), another simulation method to compute free energies along an initial transition path, exhibits considerable concurrence with Schoeck’s formalism. We conclude that entropic effects need to be considered to understand processes involving dislocations bypassing elastic barriers close to the critical resolved shear stress. More work needs to be performed to fully understand the discrepancies between Schoeck’s and PAFI compared to molecular dynamics.

36 MATERIALS SCIENCE↗

Organic nanoparticles with tunable size and rigidity by hyperbranching and cross-linking using microemulsion ATRP

Unlike inorganic nanoparticles, organic nanoparticles (oNPs) offer the advantage of “interior tailorability,” thereby enabling the controlled variation of physicochemical characteristics and functionalities, for example, by incorporation of diverse functional small molecules. In this study, a unique inimer-based microemulsion approach is presented to realize oNPs with enhanced control of chemical and mechanical properties by deliberate variation of the degree of hyperbranching or cross-linking. The use of anionic cosurfactants led to oNPs with superior uniformity. Benefitting from the high initiator concentration from inimer and preserved chain-end functionality during atom transfer radical polymerization (ATRP), the capability of oNPs as a multifunctional macroinitiator for the subsequent surface-initiated ATRP was demonstrated. This facilitated the synthesis of densely tethered poly(methyl methacrylate) brush oNPs. Detailed analysis revealed that exceptionally high grafting densities (~1 nm −2 ) were attributable to multilayer surface grafting from oNPs due to the hyperbranched macromolecular architecture. The ability to control functional attributes along with elastic properties renders this “bottom-up” synthetic strategy of macroinitiator-type oNPs a unique platform for realizing functional materials with a broad spectrum of applications.

ATRP↗

Miniaturized Magnetoelastic Sensor System

This article describes the design, assembly, and implementation of a hand-held, magnetic-field-based sensor system that can be adapted for a variety of sensing applications. The miniaturized system is based on Chemical Identification by Magneto-Elastic Sensing (ChIMES) technology, which uses three concentric solenoid coils to wirelessly interrogate a sensor body comprised of a response material coupled to a magnetoelastic wire. The response material expands when it encounters a target, imposing mechanical stress on the wire and altering its magnetic permeability. The sensor bodies are passive, requiring no external power source, and they are small, measuring about 15 mm in length and 3.0 mm in diameter. Up to four sensor bodies can be configured as an evenly-spaced linear array. The sensor system operates by applying a low-frequency, current-stabilized, filtered triangle wave to a uniform-density excitation coil to switch the magnetic domains within the wire. Further, the responses from the sensors are picked up by a detection coil as stress-induced changes in the Faraday voltage, and the strong magnetic field induced by the excitation coil in the detection coil is nullified by a cancellation coil reverse-wound in series with the detection coil. The responses of the sensors in an array are separated in time by a linear gradient dc biasing coil. The sensors can be interrogated through metallic and nonmetallic barriers. The signals from the detection coil and the excitation coil are digitized by a pair of bipolar analog-to-digital converters (ADCs). A Raspberry Pi single-board computer (SBC) and associated software perform data acquisition and control all aspects of the sensor system hardware. The program allows the user to select the number of sensors in the array, the type of signal that is being collected, and the number of samples to take. The program also allows for signal processing of the sensor data, such as baseline correction. The program can differentiate sensor peaks from each other and calculate the magnitude of each sensor response with less than 1% error. The data are then displayed along with a graph of the signal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Calibrating constitutive models with full‐field data via physics informed neural networks

Abstract The calibration of solid constitutive models with full‐field experimental data is a long‐standing challenge, especially in materials that undergo large deformations. In this paper, we propose a physics‐informed deep‐learning framework for the discovery of hyperelastic constitutive model parameterizations given full‐field surface displacement data and global force‐displacement data. Contrary to the majority of recent literature in this field, we work with the weak form of the governing equations rather than the strong form to impose physical constraints upon the neural network predictions. The approach presented in this paper is computationally efficient, suitable for irregular geometric domains, and readily ingests displacement data without the need for interpolation onto a computational grid. A selection of canonical hyperelastic material models suitable for different material classes is considered including the Neo–Hookean, Gent, and Blatz–Ko constitutive models as exemplars for general non‐linear elastic behaviour, elastomer behaviour with finite strain lock‐up, and compressible foam behaviour, respectively. We demonstrate that physics informed machine learning is an enabling technology and may shift the paradigm of how full‐field experimental data are utilized to calibrate constitutive models under finite deformations.

Hamel, Craig M.↗