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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Biased degenerate ground-state sampling of small Ising models with converged quantum approximate optimization algorithm

The quantum alternating operator ansatz, a generalization of the quantum approximate optimization algorithm (QAOA), is a quantum algorithm used for approximately solving combinatorial optimization problems. QAOA typically uses the transverse field mixer as the driving Hamiltonian. One of the interesting properties of the transverse field driving Hamiltonian is that it results in nonuniform sampling of degenerate ground states of optimization problems. In this study, we numerically examine the fair sampling properties of the transverse field mixer QAOA, and Grover mixer QAOA (GM-QAOA), which provides theoretical guarantees of fair sampling of degenerate optimal solutions, up to a large enough p such that the mean expectation value converges to an optimal approximation ratio of 1. This comparison is performed with high-quality heuristically computed, but not necessarily optimal, QAOA angles, which give strictly monotonically improving solution quality as p increases. These angles are computed using the Julia based numerical simulation software JuliQAOA. Fair sampling of degenerate ground states is quantified using the Shannon entropy of the ground-state amplitudes distribution. The fair sampling properties are reported on several quantum signature Hamiltonians from previous quantum annealing fair sampling studies. Small random fully connected spin glasses are shown, which exhibit exponential suppression of some degenerate ground states with transverse field mixer QAOA. The transverse field mixer QAOA simulations show that some problem instances clearly saturate the Shannon entropy of 0 with a maximally biased distribution that occurs when the learning converges to an approximation ratio of 1 while other problem instances never deviate from a maximum Shannon entropy (uniform distribution) at any p step. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Anisotropic magnetic entropy change in Cr 2 X 2 Te 6 ( X = Si and Ge )

Intrinsic, two-dimensional (2D) ferromagnetic semiconductors are an important class of materials for spintronics applications. Cr 2 X 2 Te 6 ( X = Si and Ge ) semiconductors show 2D Ising-like ferromagnetism, which is preserved in few-layer devices. The maximum magnetic entropy change associated with the critical properties around the ferromagnetic transition for Cr 2 Si 2 Te 6 - ΔS$max\atop{M}$ ~ 5.05 J kg -1 K -1 is much larger than - ΔS$max\atop{M}$ ~ 2.64 J kg -1 K -1 for Cr 2 Ge 2 Te 6 with an out-of-plane field change of 5 T. The rescaled - ΔS M (T,H) curves collapse onto a universal curve independent of temperature and field for both materials. Here, this indicates similar critical behavior and 2D Ising magnetism, confirming the magnetocrystalline anisotropy that could preserve the long-range ferromagnetism in a few layers of Cr 2 X 2 Te 6 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Anisotropic magnetocaloric effect in single crystals of CrI 3

We report a systematic investigation of dc magnetization and ac susceptibility, as well as anisotropic magnetocaloric effect in bulk CrI 3 single crystals. A second-stage magnetic transition was observed just below the Curie temperature T c , indicating a two-step magnetic ordering. The low temperature thermal demagnetization could be well fitted by the spin-wave model rather than the single-particle model, confirming its localized magnetism. The maximum magnetic entropy change -ΔS$max\atop{M}$ ~5.65 J kg -1 K -1 and the corresponding adiabatic temperature change ΔT ad ~2.34 K are achieved from heat capacity analysis with the magnetic field up to 9 T. Anisotropy of ΔS M (T,H) was further investigated by isothermal magnetization, showing that the difference of -ΔS$max\atop{M}$ between the $ab$ plane and the c axis reaches a maximum value ~1.56 J kg -1 K -1 with the field change of 5 T. In conclusion, with the scaling analysis of ΔS M , the rescaled ΔS M (T,H) curves collapse onto a universal curve, indicating a second-order type of the magnetic transition. Furthermore, the -ΔS$max\atop{M}$ follows the power law of H n with n = 0.64 (1), and the relative cooling power depends on H m with m = 1.12 (1) .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The effect of boron doping on crystal structure, magnetic properties and magnetocaloric effect of DyCo 2

In this study, the magnetic properties and magnetic entropy changes of DyCo 2 B x (x=0, 0.05, 0.1, and 0.2) alloys were investigated. The Curie temperature (TC) increases with increasing B concentration. The frequency dependence of ac magnetic susceptibility of DyCo 2 caused by the narrow domain wall pinning effect is depressed by B doping, but the coercivity and the magnetic viscosity are prominently increased in the B doped alloys. The magnetic transition nature of DyCo 2 B x changes from the first-order to the second-order with increasing x, which leads to the decrease of the maximum magnetic entropy change. However, the relative cooling power (RCP) of DyCo 2 and the B doped alloys remains nearly constant.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetocaloric Effect in Lightly‐Doped Fe 5 Si 3 Single Crystals

Abstract Development of promising new materials for above room temperature magnetic cooling applications relies on careful balancing of structure and composition to maximize accessible metastable phases that can drive a strong magnetocaloric effect (MCE). However, the working temperatures of these materials may fall outside of desired application windows. In this work, it is shown that it is possible to control metastable phase stability temperatures of Fe 5 Si 3 through selection of appropriate spin and charge doping. Here, the parent material's desired structure appears only within a narrow temperature range from 1098 to 1303 K. Doping with Mn and P is shown to allow stabilization of the parent's high temperature phase and resulting MCE to room temperature. The structural and magnetic properties, and the magnetocaloric effect of single crystal Fe 4.83 Mn 0.16 Si 2.91 P 0.09 (FMSP) are investigated experimentally and theoretically. A first‐order magneto‐elastic transition is observed at 348 K, where magnetic onset is accompanied by a change in lattice volume without an apparent change in crystal symmetry. Although the trace Mn and P doping are found to decrease the T C , the maximum magnetic entropy change Δ S Max ( T ) and the relative cooling power (RCP) of FMSP are enhanced compared to polycrystalline Fe 5 Si 3 . As a result, an intrinsically broader entropy change over a larger temperature span is generated in the lightly doped single crystal of Fe 5 Si 3 . The magnetic moment of the system is also enhanced. Density functional theory (DFT) calculations are performed to gain microscopic insights into the experimental findings. The results suggest that the hexagonal Fe 5 Si 3 is a new giant room temperature MCE material that is on par with La–Fe–Si and Fe‐Mn‐P‐Si systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Mn Doping on the Structural, Magnetic, and Magnetocaloric Effect of Fe{sub 17}Dy{sub 2} Compounds

Crystal structural and magnetic properties of polycrystalline (Fe{sub 1−x}Mn{sub x}){sub 17}Dy{sub 2} (x = 0.0, 0.1, 0.2, and 0.3) compounds were studied by X-ray diffraction (XRD) and vibrating sample magnetometer (VSM) measurements. The results show that (Fe{sub 1−x}Mn{sub x}){sub 17}Dy{sub 2} forms as a substitutional solid solution with the hexagonal Th{sub 2}Ni{sub 17} type. The unit cell volume increases with Mn content. The Curie temperature (T{sub C}) can be tuned from 364 K for x = 0.0 to 80 K for x = 0.3. The magnetic transition at T{sub C} is a typical second-order ferromagnetic-paramagnetic transition. For an applied field change from 0 to 5 T, the maximum magnetic entropy change (| − ΔS{sub M}|) for (Fe{sub 1−x}Mn{sub x}){sub 17}Dy{sub 2} (x = 0.0, 0.1, and 0.2) compounds are 3.9, 2.8, and 1.7 J kg{sup −1} k{sup −1}, respectively. The high ΔS{sub M}, appropriate T{sub C}, and a high performance-to-cost ratio make (Fe{sub 1−x}Mn{sub x}){sub 17}Dy{sub 2} compounds a candidate materials for room-temperature magnetic refrigeration applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic and Transport Properties of Bi{sub 0.5−x}Pr{sub x}Ca{sub 0.5}MnO{sub 3}(0.0 ≤ x ≤ 0.50) Manganites

In this work, the effect of Pr doping at the Bi site on the critical behavior and magnetocaloric and transport properties of Bi{sub 0.5−x}Pr{sub x}Ca{sub 0.5}MnO{sub 3} (0.0 ≤ x ≤ 0.50) manganite synthesized by sol–gel method is reported. An increase in Curie temperature (T{sub C}) with an increase in Pr content is observed. The samples with x = 0.0–0.40 show first-order phase transition whereas the sample with x = 0.50 shows second-order phase transition near T{sub C}. The estimated values of critical exponents β = 0.75 and γ = 0.82 for the sample with x = 0.50 do not fall into any universality class. The sample with x = 0.50 shows maximum magnetic entropy change (|ΔS{sub m}| = (1.22 J kg{sup −1} K{sup −1}) at T{sub C} in an applied magnetic field of 40 kOe, which is associated with magnetocaloric effect (MCE). All the samples show semiconducting behavior and also follow Mott’s variable range hopping (VRH) model below the charge ordering temperature (T{sub CO}). The changes in magnetic and transport properties are correlated with the changes in the structural parameters of the samples. The results are discussed in view of the effect of Pr doping on the 6s{sup 2} lone pair character of Bi{sup 3+} ions and disorder in the samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Investigation on the Magnetocaloric Effect of the Pr{sub 7}Pd{sub 3} Compound

Magnetic transitional behaviors and the magnetocaloric effect of the intermetallic compound Pr{sub 7}Pd{sub 3} have been studied. A second-order metamagnetic transition between ferromagnetic and paramagnetic states was observed with a Curie temperature (T{sub C}) of 14.9 K. The paramagnetic Curie temperature (𝜃{sub p}) and the effective magnetic moment (μ{sub eff}) were investigated and determined to be 5.1 K and 3.43 μ{sub B}/Pr, respectively. A reversible magnetocaloric effect was observed in this compound originated from the magnetic phase transition. For a magnetic field change of 0–5 T, the maximum magnetic entropy change − ΔS{sub M} reached 5.5 J kg{sup − 1} K{sup − 1}, and the corresponding value of refrigerant capacity was estimated to be about 65 J kg{sup − 1} with no thermal and field hysteresis loss.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic Transition and Magnetocaloric Effect of Gd{sub 1−x}Nd{sub x}Mn{sub 2}Ge{sub 2} (x = 0.3 and 0.4) Compounds

Gd{sub 1−x}Nd{sub x}Mn{sub 2}Ge{sub 2} compounds with x = 0.3 and 0.4 were prepared by arc melting and crystallized in the ThCr{sub 2}Si{sub 2}-type structure with the space group I4/mmm based on X-ray powder diffraction (XRD) results. Magnetic transition and magnetocaloric effect (MCE) of the Gd{sub 1−x}Nd{sub x}Mn{sub 2}Ge{sub 2} compounds were investigated by magnetic measurements on a physical property measurement system (PPMS). Gd{sub 0.7}Nd{sub 0.3}Mn{sub 2}Ge{sub 2} compound exhibits complicated magnetic transitions at around 63 K (T{sub comp}), 86 K (T{sub 1}), 136 K (T{sub C}), 260 K (T{sub N}{sup inter}), and 347 K (T{sub C}{sup inter}), respectively, while Gd{sub 0.6}Nd{sub 0.4}Mn{sub 2}Ge{sub 2} compound shows a spin re-orientation transition at about 52 K. Combined with isothermal magnetization curves and the Maxwell relation, the maximum magnetic entropy changes of Gd{sub 0.7}Nd{sub 0.3}Mn{sub 2}Ge{sub 2} and Gd{sub 0.6}Nd{sub 0.4}Mn{sub 2}Ge{sub 2} were calculated to be 4.31 and 5.15 J kg{sup − 1} K{sup − 1} under the applied magnetic field changing from 0 to 5 T, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Structural, Magnetic and Magnetocaloric Properties of High-Energy Ball-Milled Gd{sub 5}Si{sub 2}Ge{sub 2}B{sub 0.05} Alloy

Structural, magnetic and magnetocaloric properties of Gd{sub 5}Si{sub 2}Ge{sub 2}B{sub 0.05} alloy, ball milled for different time intervals in the range of 2–50 h were studied. The x-ray powder diffraction analysis of the alloy prior to milling revealed the presence of mixed orthorhombic and monoclinic phases at room temperature. For a milling duration up to 15 h, the alloy powder displayed crystalline nature. Upon further milling, the alloy powder started to lose the crystallinity and after 50 h of milling, the alloy powder displayed amorphous nature. The average particle size of milled samples was found to decrease with increase in milling time. The saturation magnetization value of the bulk alloy 80 emu/g was found to decrease with increase in milling time due to structural disorder. The transition temperature of the milled alloy powder was found to be around 295 K and the transition was found to become broader with increase in milling time. A maximum isothermal entropy change (ΔS{sub max}) of ∼12 J/kg K was obtained in bulk alloy. For a milling duration of 2 h, a marginal decrease of ΔS{sub max} (∼11 J/kg K) was obtained. Whereas, for higher milling durations, (≥ 15 h) a significant decrease in ΔS{sub max} values were observed. However, the broad operating temperature range of the milled powders can be exploited for magnetic refrigeration applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Comparative Study of Magnetocaloric Effect in La{sub 0.67}Ca{sub 0.20}Sr{sub 0.13}MnO{sub 3} Manganite Prepared by Sol-Gel Method and Spark Plasma Sintering

The La{sub 0.67}Ca{sub 0.20}Sr{sub 0.13}MnO{sub 3} nanoparticles and bulks were prepared by using sol-gel method (SGM) and spark plasma sintering (SPS), respectively. The X-ray diffraction analysis indicates each sample crystal in a single rhombohedral perovskite structure (space group R 3-bar c). The Curie temperature is slightly improved and the phase transition is sharpened after processing with SPS. The enhancement of magnetocaloric effect (MCE) is also observed in the samples prepared by SPS. For a field change of 3 T, the maximum isothermal entropy change is improved by 32 and 117% when different sintering temperatures and sintering pressures are applied. The magnetic phase transition and MCE can be well described by the Landau theory. The present studies suggest that the perovskite bulks prepared by SPS could be useful for the application of magnetic refrigeration.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Magnetic, Magnetocaloric Properties, and Phenomenological Model in Amorphous Ni{sub 80−x}Fe{sub x}(SiB){sub 20} Alloys with (x = 0, 2.4, 8, and 16)

Amorphous Ni{sub 80−x}Fe{sub x}(SiB){sub 20} ribbons with different Fe concentrations (0 ≤ x ≤ 16) were fabricated by melt spinning technique, and their magnetic and magnetocaloric properties were investigated and a phenomenological model was also applied. The Curie temperature (T{sub C}), magnetic moment of transition metal and maximum magnetic entropy change (− ΔS{sub M}) increase with increasing Fe content. At a magnetic field change of 2 T, the (− ΔS{sub M}) and relative cooling power (RCP) show the highest values of 0.53 J/kg K and 85 J kg{sup −1} respectively for Fe{sub 16}Ni{sub 64}(SiB){sub 20} alloys. In addition, a satisfactory agreement between the experimental and Hamad’s phenomenological model is reported.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Phase Diagram and Magnetocaloric Effect of Mn{sub 2}Tb-Fe{sub 2}Tb System

Mn{sub 2}Tb-Fe{sub 2}Tb phase diagram was drawn, and the crystal structure and magnetocaloric effect of (Mn{sub 1-x}Fe{sub x}){sub 2}Tb (x ≤ 0.5) compounds at the Mn-rich side were systematically studied. X-ray diffraction demonstrates that all these Laves phase compounds crystallize in the cubic MgCu{sub 2}-type structure. The Rietveld results of XRD shows the cell volume increases with Fe content. The influence of doping effect in (Mn{sub 1-x}Fe{sub x}){sub 2}Tb (x ≤ 0.5) compounds on their magnetic and magnetocaloric properties for all solid solutions is presented. The Curie temperature (Tc) rises from 49 K (for x = 0.0) to 322 K (for x = 0.5), depending on Fe content significantly. Based on Landau’s theory, the magnetization behavior and magnetic transition were analyzed. The magnetocaloric effect (MCE) of (Mn{sub 1-x}Fe{sub x}){sub 2}Tb compounds is also discussed using the Maxwell relation, and the maximum magnetic entropy change (− ΔS{sub M}{sup Max}) approaches to 10 J kg{sup −1} K{sup −1} at x = 0 under a field ranging from 0 to 5 T. The best relative cooling power (RCP) reaches 535.03 J/kg (x = 0.1).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Energy efficiency in industrial drying: A hybrid ultrasonic system with a novel dynamic optimization framework

Drying processes are among the most energy-consuming operations in industrial and manufacturing settings, demanding strategic selection, design, and control for enhanced efficiency. Advancing drying technologies is critical for improving sustainability, lowering energy use, reducing carbon emissions, and minimizing waste. This study explores two innovative strategies aimed at transforming drying processes into sustainable, low-carbon systems by reducing energy consumption, minimizing waste, and maintaining a strong emphasis on preserving product quality. The first strategy showcases a sub-pilot scale hybrid ultrasonic-convective dryer for agrifood products. This technology, powered by electricity (process electrification), integrates non-thermal ultrasonic dehydration with convective heating and is presented as a sustainable and energy-efficient solution that enhances eco-friendly practices. The second strategy involves introducing and implementing a novel, multiobjective, mixed integer dynamic optimization technique to determine the optimal time-dependent process parameter values for the drying operation. This optimization technique yields operating conditions that are piecewise constant in time aiming to maximize the energy efficiency of the hybrid ultrasonic-convective dryer while ensuring strict adherence to product quality constraints. By adopting the hybrid ultrasonic-convective dryer, a notable 35% improvement in energy efficiency was achieved compared to conventional hot-air drying systems for drying apple slices. The proposed optimization framework further enhanced energy efficiency by nearly 14% over the most efficient process on the identical testbed, under static operating conditions. The reported enhancements have been experimentally validated. Regarding drying time (thereby improving production yield), the developed hybrid ultrasonic-convective dryer demonstrates as much as a 41% reduction in total processing time, which is further optimized by an additional 10% using our proposed optimization framework. The research outcomes have profound implications for the design and operation of drying systems, encompassing crucial aspects such as process electrification, cost-effectiveness, energy savings, time efficiency, product yield, product quality, and process automation.

Dynamic optimization↗
DOE OSTI2020

Efficient and robust stability analysis in the internal energy, volume, and moles (UVN) space

Hydrodynamic simulation of fluids in vessels is often based on the internal energy (U), volume (V), and the number of moles of all components ( re N = N 1 , N 2 , ..., N n ) as the working variables to determine the thermodynamic state by finding the global maximum of entropy. The procedure of finding the equilibrium state may be divided into two steps: stability analysis and phase-split computations. Stability analysis is performed first, and the phase-split computation proceeds if the system is unstable. Most of the past work on UVN space has been based on phase-split computations, while the stability analysis is barely investigated. Furthermore, previous studies for the stability analysis use only Newton's method to solve the non-linear algebraic equations. We present an efficient and robust approach for stability analysis where UVN is specified. The successive substitution iteration (SSI) is used to provide good initial guesses for Newton's method. The proposed approach results in a reduced number of unknowns and does not require a large number of iterations to achieve convergence in Newton's method. Overall, our proposed formulation is compatible with different equations of state and is applicable to both pure component and multi-components. The robustness and efficiency of the algorithm for stability analysis are demonstrated in various examples.

02 PETROLEUM↗
DOE OSTI2020

Effect of Al substitution on the magnetocaloric properties of Ni-Co-Mn-Sn multifunctional alloys

Ni-Mn-based metamagnetic shape memory alloys have been extensively studied due to their multifunctional properties including magnetocaloric effect (MCE), magnetoresistance effect, and magnetic-field-induced strain. However, the large intrinsic thermal hysteresis of these alloys sets a limit on further development for practical applications. Here, with a few atomic percent Al substitution, we greatly reduced the thermal hysteresis and transformation temperature interval while maintaining the large magnetization difference (ΔM) between austenite and martensite. The simultaneous achievement of a large ΔM and low thermal hysteresis leads to a remarkable enhancement in MCE upon Al substitution, and a maximum magnetic entropy change of 31.6 J/kg K is achieved under a field of 5 T in Ni 39 Co 11 Mn 40 Sn 8 Al 2 . Furthermore, our in situ high-energy X-ray diffraction experiments show that the Ni 39 Co 11 Mn 40 Sn 8 Al 2 has good geometric compatibility between austenite and martensite, which accounts for the reduced thermal hysteresis in this alloy. This study is instructive for the development of high-performance magnetocaloric materials in the metamagnetic shape memory alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Indium segregation in Gd 5 (Si, Ge) 4 magnetocaloric materials

Chemical substitution is one of the most efficient tools to tune and optimize magnetic and magnetocaloric properties of the giant magnetocaloric materials. In particular, Indium substitutions could be useful both for tuning properties of these interesting intermetallic materials and to unveil their local-scale behavior across the magnetostructural transition via hyperfine techniques. Hence, in order to investigate the effect of Indium additions on the crystal structure, micro-structure, magnetic and magnetocaloric properties, a series of In-containing samples derived from the base Gd 5 Si 1.2 Ge 2.8 stoichiometry were prepared. Here, the major findings are that while In is insoluble in the 5:4 phase, it will instead promote the emergence of the impurity 5:3 phase and segregates into this phase. Hence, In leads to major crystallographic changes, which enhance atomic disorder and disrupt the Si to Ge ratio in the 5:4 phase. Subsequently, a higher 5:4 unit cell volume and a lower magnetic ordering temperature are found in the In-substituted samples. Finally, the magnetocaloric properties of the In-substituted samples reveal a detrimental effect on the maximum magnetic entropy change.

36 MATERIALS SCIENCE↗