Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “entropy”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Will high-entropy carbides and borides be enabling materials for extreme environments?

Abstract The concept of multi-principal component has created promising opportunities for the development of novel high-entropy ceramics for extreme environments encountered in advanced turbine engines, nuclear reactors, and hypersonic vehicles, as it expands the compositional space of ceramic materials with tailored properties within a single-phase solid solution. The unique physical properties of some high-entropy carbides and borides, such as higher hardness, high-temperature strength, lower thermal conductivity, and improved irradiation resistance than the constitute ceramics, have been observed. These promising properties may be attributed to the compositional complexity, atomic-level disorder, lattice distortion, and other fundamental processes related to defect formation and phonon scattering. This manuscript serves as a critical review of the recent progress in high-entropy carbides and borides, focusing on synthesis and evaluations of their performance in extreme high-temperature, irradiation, and gaseous environments.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mechanochemical-Assisted Synthesis of High-Entropy Metal Nitride via a Soft Urea Strategy

Crystalline high-entropy ceramics (CHC), a new class of solids that contain five or more elemental species, have attracted increasing interest because of their unique structure and potential applications. Up to now, only a couple of CHCs (e.g., high-entropy metal oxides and diborides) have been successfully synthesized. In this paper, a new strategy for preparing high-entropy metal nitride (HEMN-1) is proposed via a soft urea method assisted by mechanochemical synthesis. The as-prepared HEMN-1 possesses five highly dispersed metal components, including V, Cr, Nb, Mo, Zr, and simultaneously exhibits an interesting cubic crystal structure of metal nitrides. By taking advantage of these unique features, HEMN-1 can function as a promising candidate for supercapacitor applications. A specific capacitance of 78 F g -1 is achieved at a scan rate of 100 mV s -1 in 1 m KOH. Finally, in addition, such a facile synthetic strategy can be further extended to the fabrication of other types of HEMNs, paving the way for the synthesis of HEMNs with attractive properties for task-specific applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low Thermal Conductivity and Diffusivity at High Temperatures Using Stable High–Entropy Spinel Oxide Nanoparticles

The realization of low thermal conductivity at high temperatures (0.11 W m –1 K –1 800 °C) in ambient air in a porous solid thermal insulation material, using stable packed nanoparticles of high-entropy spinel oxide with 8 cations (HESO-8 NPs) with a relatively high packing density of ≈50%, is reported. The high-density HESO-8 NP pellets possess around 1000-fold lower thermal diffusivity than that of air, resulting in much slower heat propagation when subjected to a transient heat flux. The low thermal conductivity and diffusivity are realized by suppressing all three modes of heat transfer, namely solid conduction, gas conduction, and thermal radiation, via stable nanoconstriction and infrared-absorbing nature of the HESO-8 NPs, which are enabled by remarkable microstructural stability against coarsening at high temperatures due to the high entropy. Furthermore, this work can elucidate the design of the next-generation high-temperature thermal insulation materials using high-entropy ceramic nanostructures.

thermal insulation↗
DOE OSTI2024

High-Entropy Metal-Organic Frameworks (HEMOFs): A New Frontier in Materials Design for CO 2 Utilization

High-entropy materials (HEMs) emerged as promising candidates for a diverse array of chemical transformations, including CO 2 utilization. However, traditional HEMs catalysts are nonporous, limiting their activity to surface sites. Designing HEMs with intrinsic porosity can open the door toward enhanced reactivity while maintaining the many benefits of high configurational entropy. Here, in this study, a synergistic experimental, analytical, and theoretical approach to design the first high-entropy metal-organic frameworks (HEMOFs) derived from polynuclear metal clusters is implemented, a novel class of porous HEMs that is highly active for CO 2 fixation under mild conditions and short reaction times, outperforming existing heterogeneous catalysts. HEMOFs with up to 15 distinct metals are synthesized (the highest number of metals ever incorporated into a single MOF) and, for the first time, homogenous metal mixing within individual clusters is directly observed via high-resolution scanning transmission electron microscopy. Importantly, density functional theory studies provide unprecedented insight into the electronic structures of HEMOFs, demonstrating that the density of states in heterometallic clusters is highly sensitive to metal composition. This work dramatically advances HEMOF materials design, paving the way for further exploration of HEMs and offers new avenues for the development of multifunctional materials with tailored properties for a wide range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Revisiting the Role of Entropy for Charge Separation in 1D Pi-Conjugated Semiconductors

Free carrier generation in organic donor/acceptor heterojunctions and redox-doped organic semiconductors is poorly understood, since assumed tight electron-hole binding conflicts with observed high free carrier yields. Cornerstone analyses that have guided the field for over 15 years predict that entropy can stabilize free charges in 2D and 3D pi-conjugated semiconductors but not in 1D systems. Here, the impact of entropy on charge generation in 1D pi-conjugated semiconductors is revisited by exploiting a greatly simplified system where enthalpy considerations alone should not allow for free charge generation. Noncontact solution-phase microwave conductivity is used to investigate the carrier density-dependent conductivity and dielectric constant in isolated chemically doped semiconducting single-walled carbon nanotubes in a low-dielectric solvent. Dopant chemical structure dramatically influences the carrier density-dependent complex conductivity, with bulky dopants facilitating carrier escape even at carrier densities below one carrier per nanotube. Three distinct numerical calculations show that entropic stabilization dramatically lowers the Gibbs energy barrier for free charge generation, explaining the high yield of free carriers, even in 1D. This renewed understanding of entropy's role in carrier generation has important implications for designing organic electronic devices-such as solar cells and thermoelectric energy harvesters-for enhanced carrier yield, conductivity, and performance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structurally Regenerable High Entropy Aluminate Spinel Catalysts for Dry Reforming of Methane

The dry reforming of methane reaction is a promising means to convert two potent greenhouse gases, methane and carbon dioxide, into industrially valuable synthesis gas. However, the presence of reducing gases and high operating temperatures degrade conventional nickel catalysts via excessive coke formation and particle sintering. These catalysts are not readily regenerated because the oxidative heat treatments employed to remove coke further promote active particle sintering. In this work, we designed high entropy aluminate spinel oxides (MAl 2 O 4 where M = Co, Mg, Ni, and divalent site vacancies in nominal equimolar concentration) as selective and regenerable reforming catalysts. Under reaction conditions, reducible nickel and cobalt cations exsolved from the spinel lattice to form highly selective bimetallic particles on the oxide surface. Instead of sintering, these particles uniquely redissolved back into the aluminate lattice upon reoxidation and regained the original spinel structure. This phenomenon is ascribed to entropic stabilization, wherein an increase in configurational entropy creates a thermodynamic driving force for redispersing supported metal particles back into the multi‐cationic oxide structure. During the dry reforming reaction, nickel atoms similarly exsolved from a NiAl 2 O 4 sample and reduced to form metallic nickel particles. However, subsequent oxidation of this sample promoted sintering and oxidation of the nickel particles to an inactive state. High entropy materials thus provide a unique mechanism of regeneration, which is inaccessible in conventional catalysts.

coke deposition↗
DOE OSTI2021

Persistent Structure and Frustrated Magnetism in High Entropy Rare-Earth Zirconates

The configurational complexity and distinct local atomic environments of high entropy oxides remain largely unexplored, leaving structure-property relationships and the hypothesis that the family offers rich tunability for applications ambiguous. This work investigates the influence of cation size and materials synthesis in determining the resulting structure and magnetic properties of a family of high entropy rare-earth zirconates (HEREZs, nominal composition RE 2 Zr 2 O 7 with RE = rare-earth element combinations including Eu, Gd, Tb, Dy, Ho, La, or Sc). Here, the structural characterization of the series is examined through synchrotron X-ray diffraction and pair distribution function analysis, and electron microscopy, demonstrating average defect-fluorite structures with considerable local disorder, in all samples. The surface morphology and particle sizes are found to vary significantly with preparation method, with irregular micron-sized particles formed by high temperature sintering routes, spherical nanoparticles resulting from chemical co-precipitation methods, and porous nanoparticle agglomerates resulting from polymer steric entrapment synthesis. In agreement with the disordered cation distribution found across all samples, magnetic measurements indicate that all synthesized HEREZs show frustrated magnetic behavior, as seen in a number of single-component RE 2 Zr 2 O 7 pyrochlore oxides. These findings advance the understanding of the local structure of high entropy oxides and demonstrate strategies for designing nanostructured morphologies in the class.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Entropy Stable Conservative Flux Form Neural Networks

We propose an entropy-stable conservative flux form neural network (CFN) to predict the dynamics of unknown governing conservation laws. The design of the network is based on the entropy-stable, second-order, and non-oscillatory Kurganov-Tadmor (KT) scheme. The proposed entropy-stable CFN, hereafter referred to as ESCFN, uses slope limiting as a denoising mechanism, ensuring accurate predictions in both noisy and sparse observation environments, as well as in both smooth and discontinuous regions. Importantly, our method is designed to predict long term dynamics of the unknown conservation law exclusively from a short temporal window of observed data, that is, without oracle knowledge of the PDE or later-time solution profiles. Numerical experiments demonstrate that the ESCFN achieves both stability and conservation while maintaining accuracy over extended time domains, and successfully predicts shock propagation speeds in long-term simulations. Furthermore, it is also robust to both noisy and sparse data environments.

Hyperbolic conservation laws↗
DOE OSTI2018

Study of Magnetic Entropy Change in Nd{sub 0.67}Ba{sub 0.33}Mn{sub 0.98}Fe{sub 0.02}O{sub 3} by Means of Theoretical Models

Magnetic entropy change (−ΔS{sub M}) of Nd{sub 0.67} Ba{sub 0.33}Mn{sub 0.98}Fe{sub 0.02}O{sub 3} perovskite have been analyzed by means of theoretical models. An excellent agreement has been found between the (ΔS{sub M}) values estimated by Landau theory and those obtained using the classical Maxwell relation. In order to estimate the spontaneous magnetization M{sub spont}(T), we used the mean-field theory to analyses the (ΔS{sub M}) vs. M{sup 2} data. The obtained M{sub spont}(T) values are in good agreement with those found from the classical extrapolation from the Arrott plots(H/M vs. M{sup 2}), confirming that the magnetic entropy is a valid approach to estimate the spontaneous magnetization in our system. At a relatively low magnetic field, a phenomenological model has been used to estimate the values of the magnetic entropy change. The results are in good agreement with those obtained from the experimental data using Maxwell relation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Design of Novel Precipitate-Strengthened Al-Co-Cr-Fe-Nb-Ni High-Entropy Superalloys

Here, a series of non-equiatomic Al-Co-Cr-Fe-Nb-Ni high-entropy alloys, with varying levels of Co, Nb and Fe, were investigated in an effort to obtain microstructures similar to conventional Ni-based superalloys. Elevated levels of Co were observed to significantly decrease the solvus temperature of the γ' precipitates. Both Nb and Co in excessive concentrations promoted the formation of Laves and NiAl phases that formed either during solidification and remained undissolved during homogenization or upon high-temperature aging. Lowering the content of Nb, Co, or Fe prevented the formation of the eutectic type Laves. In addition, lowering the Co content resulted in a higher number density and volume fraction of the γ' precipitates, while increasing the Fe content led to the destabilization of the γ' precipitates. Various aging treatments were performed which led to different size distributions of the strengthening phase. Results from the microstructural characterization and hardness property assessments of these high-entropy alloys were compared to a commercial, high-strength Ni-based superalloy RR1000. Potentially, precipitation-strengthened high-entropy alloys could find applications replacing Ni-based superalloys as structural materials in power generation applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Phase Evolution and Mechanical Properties of AlCoCrFeNiSi{sub x} High-Entropy Alloys Synthesized by Mechanical Alloying and Spark Plasma Sintering

In the current investigation, AlCoCrFeNiSi{sub x} (x = 0, 0.3, 0.6 and 0.9 in atomic ratio) high-entropy alloy systems are prepared by mechanical alloying and subsequently consolidated by spark plasma sintering. The microstructural and mechanical properties were analyzed to understand the effect of Si addition in AlCoCrFeNi alloy. The x-ray diffraction analysis reveals the supersaturated solid solution of the body-centered cubic structure after 20 h of ball milling. However, the consolidation promotes the transformation of body-centered phases partially into the face-centered cubic structure and sigma phases. A recently proposed geometric model based on the atomic stress theory has been extended for the first time to classify single phase and multi-phases on the high-entropy alloys prepared by mechanical alloying and spark plasma sintering process. Improved microhardness and better wear resistance were achieved as the Si content increased from 0 to 0.9 in the present high-entropy alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An Analysis of FPGA LUT Bias and Entropy for Physical Unclonable Functions

Process variations within Field Programmable Gate Arrays (FPGAs) provide a rich source of entropy and are therefore well-suited for the implementation of Physical Unclonable Functions (PUFs). However, careful considerations must be given to the design of the PUF architecture as a means of avoiding undesirable localized bias effects that adversely impact randomness, an important statistical quality characteristic of a PUF. Here in this paper, we investigate a ring-oscillator (RO) PUF that leverages localized entropy from individual look-up table (LUT) primitives. A novel RO construction is presented that enables the individual paths through the LUT primitive to be measured and isolated at high precision, and an analysis is presented that demonstrates significant levels of localized design bias. The analysis demonstrates that delay-based PUFs that utilize LUTs as a source of entropy should avoid using FPGA primitives that are localized to specific regions of the FPGA, and instead, a more robust PUF architecture can be constructed by distributing path delay components over a wider region of the FPGA fabric. Compact RO PUF architectures that utilize multiple configurations within a small group of LUTs are particularly susceptible to these types of design-level bias effects. The analysis is carried out on data collected from a set of identically designed, hard macro instantiations of the RO implemented on 30 copies of a Zynq 7010 SoC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Lattice distortion in a strong and ductile refractory high-entropy alloy

Here, the maximization of the mixing entropy with the optimal range of enthalpy in high-entropy alloys (HEAs) can promote the formation of a stable single solid-solution phase with the absence of competing intermetallic compounds. The resultant effects, such as lattice distortion, can contribute to excellent mechanical properties, which has motivated numerous efforts to develop and design single-phase HEAs. However, challenges still remain, particularly on quantifying the lattice distortion and relating it to materials properties. In this study, we have developed a NbTaTiV refractory HEA with a single body-centered-cubic (BCC) structure using an integrated experimental and theoretical approach. The theoretical efforts include thermodynamic modeling, i.e., CALculation of PHAse Diagram (CALPHAD). The microstructural evolutions have been investigated by systematic heat-treatment processes. The typical dendrite microstructure was observed, which is caused by the elemental segregation during the solidification in the as-cast condition. The structural inhomogeneity and chemical segregation were completely eliminated by the proper homogenization treatment at 1200 °C for 3 days. The homogeneous elemental distribution was quantitatively verified by the Atom Probe Tomography (APT) technique. Importantly, results indicate that this HEA exhibits the high yield strength and ductility at both room and high temperatures (up to 900 °C). Furthermore, the effects of the high mixing entropy on the mechanical properties are discussed and quantified in terms of lattice distortions and interatomic interactions of the NbTaTiV HEA via first-principles calculations. It is found that the local severe lattice distortions are induced, due to the atomic interactions and atomic-size mismatch in the homogenization-treated NbTaTiV refractory HEA.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On the strength and fracture toughness of an additive manufactured CrCoNi medium-entropy alloy

An additively manufactured (nominally equiatomic) CrCoNi alloy was processed by laser powder bed fusion (LPBF). At ambient temperatures (298 K), this medium-entropy alloy displayed a yield strength, σ y of ~691 ± 9 MPa, and an ultimate tensile strength, σ u of ~926 ± 15.2 MPa; at cryogenic temperatures (77 K), yield and tensile strengths increased respectively to σ y ~ 944 ± 6 MPa and σ u ~ 1382 ± 11 MPa. These strength levels are 57 and 44% higher than that of the wrought alloy, due to strengthening from the solidification cellular structures intertwined with dislocations in the LPBF CrCoNi. The crack-initiation fracture toughness, K JIc was measured to be ~183.7 ± 28 MPa√m at 298 K; this value marginally decreased by ~4% to ~176 ± 11 MPa√m at 77 K. These K JIc values of the LPBF CrCoNi were 11% and 35% lower than the wrought CrCoNi alloy at 298 K and 77 K, respectively. Here, the resistance to crack growth of the LPBF CrCoNi from its hierarchical micro- and meso-structures was evaluated using nonlinear-elastic fracture mechanics by measuring R-curve behavior in the form of the J-integral as a function of crack extension. The specific features of the hierarchical microstructures at different length-scales provide a basis for the strengthening and toughening properties of this additively manufactured medium-entropy alloy. This correlation between the deformation and the hierarchical microstructures at different length-scales may provide future guidance for improving the fracture toughness properties of medium-entropy alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Entropy excess in strongly correlated Fermi systems near a quantum critical point

A system of interacting, identical fermions described by standard Landau Fermi-liquid (FL) theory can experience a rearrangement of its Fermi surface if the correlations grow sufficiently strong, as occurs at a quantum critical point where the effective mass diverges. As yet, this phenomenon defies full understanding, but salient aspects of the non-Fermi-liquid (NFL) behavior observed beyond the quantum critical point are still accessible within the general framework of the Landau quasiparticle picture. Self-consistent solutions of the coupled Landau equations for the quasiparticle momentum distribution n(p) and quasiparticle energy spectrum {epsilon}(p) are shown to exist in two distinct classes, depending on coupling strength and on whether the quasiparticle interaction is regular or singular at zero momentum transfer. One class of solutions maintains the idempotency condition n{sup 2}(p)=n(p) of standard FL theory at zero temperature T while adding pockets to the Fermi surface. The other solutions are characterized by a swelling of the Fermi surface and a flattening of the spectrum {epsilon}(p) over a range of momenta in which the quasiparticle occupancies lie between 0 and 1 even at T=0. The latter, non-idempotent solution is revealed by analysis of a Poincare mapping associated with the fundamental Landau equation connecting n(p) and {epsilon}(p) and validated by solution of a variational condition that yields the symmetry-preserving ground state. Significantly, this extraordinary solution carries the burden of a large temperature-dependent excess entropy down to very low temperatures, threatening violation of the Nernst Theorem. It is argued that certain low-temperature phase transitions, notably those involving Cooper-pair formation, offer effective mechanisms for shedding the entropy excess. Available measurements in heavy-fermion compounds provide concrete support for such a scenario. - Highlights: Black-Right-Pointing-Pointer Extension of Landau quasiparticle theory to strongly correlated Fermi systems. Black-Right-Pointing-Pointer Analysis of associated topological phase transitions at a quantum critical point. Black-Right-Pointing-Pointer Fermi surface rearrangement featuring hole pockets or emergence of flat bands. Black-Right-Pointing-Pointer Shedding of flat-band excess entropy via pairing transition at very low temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Entropy evolution law in a laser process

For the first time, we obtain the entropy variation law in a laser process after finding the Kraus operator of the master equation describing the laser process with the use of the entangled state representation. The behavior of entropy is determined by the competition of the gain and damping in the laser process. The evolution formula for the number of photons is also obtained. -- Highlights: •We apply the thermo-field dynamics method to the master equation of a laser. •We find the operator-sum (Kraus) representation for the density operator. •We find both the normally ordered and compact forms of ρ(t) for ρ{sub 0}=|z〉〈z|. •We find the exact expression of the laser’s entropy. •Our results reveal quantitatively how a laser beam can be generated in a laser.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Entropy bound of horizons for accelerating, rotating and charged Plebanski–Demianski black hole

We first review the accelerating, rotating and charged Plebanski–Demianski (PD) black hole, which includes the Kerr–Newman rotating black hole and the Taub-NUT spacetime. The main feature of this black hole is that it has 4 horizons like event horizon, Cauchy horizon and two accelerating horizons. In the non-extremal case, the surface area, entropy, surface gravity, temperature, angular velocity, Komar energy and irreducible mass on the event horizon and Cauchy horizon are presented for PD black hole. The entropy product, temperature product, Komar energy product and irreducible mass product have been found for event horizon and Cauchy horizon. Also their sums are found for both horizons. All these relations are dependent on the mass of the PD black hole and other parameters. So all the products are not universal for PD black hole. The entropy and area bounds for two horizons have been investigated. Also we found the Christodoulou–Ruffini mass for extremal PD black hole. Finally, using first law of thermodynamics, we also found the Smarr relation for PD black hole.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Field’s entropy in the atom–field interaction: Statistical mixture of coherent states

We study the atom–field interaction when the field is in a mixture of coherent states. We show that in this case it is possible to calculate analytically the field entropy for times of the order of twice the collapse time. Such analytical results are done with the help of numerical analysis. We also give an expression in terms of Chebyshev polynomials for power of density matrices. - Highlights: • We calculate the field entropy for times of the order of twice the collapse time. • We give a relation between powers of the density matrices of the subsystems. • Entropy operators for both subsystems are obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗