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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.

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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reduction of Iron (III) Oxide in Microwaves Toward Gasification Studies

The purpose of this study is to reduce hematite (Fe2O3) using hydrogen (H2), carbon monoxide (CO), and methane (CH4) gases using microwave irradiation. Conventional temperature programmed reduction of iron phase transformation under H2, CO, and CH4 agree with the literature. Furthermore, the activation energy for the iron phase transformation in a conventional reactor was in the order of H2>CO>CH4, suggesting that CH4 was the best reductant to initiate the reduction at a much lower temperature than CO, and CO was significantly better than H2 atmosphere. Due to the uneven temperature distribution, the apparent activation energy of microwave reduction under H2 was approximately 1/4th when compared to the conventional reduction in H2. X-ray diffraction (XRD) analysis showed a mixed oxide phase in microwave reduction as opposed to the clear phase transformation in conventional studies. To combat the temperature measurement issues in microwave studies, fiber optic sensors and Forward Looking InfraRed (FLIR) sensors were used to acquire the actual temperature distribution in the catalyst bed. Therefore, a reasonably accurate activation energy estimation was achieved in the catalyst bed. Combining these with the characterization and quantification of the different iron phases in microwave reduction will provide a blueprint for future microwave-assisted gasification studies.

Aireddy, Divakar Reddy↗
DOE OSTI2024

Kinetics of HCP-BCC Phase Transition Boundary in Magnesium at High Pressure

Under high pressures, many crystalline metals undergo solid–solid phase transformations. In order to accurately model the behavior of materials under extreme loading conditions, it is essential to understand the kinetics of phase transition. Using molecular dynamics simulations, this work demonstrates the feasibility of characterizing the speeds of a moving phase boundary using atomistic simulations employing a suitable empirical potential for single-crystal magnesium. The model can provide temperature- and tensorial stress-dependent velocity of a moving phase boundary as a rate-limiting contribution to the kinetics of phase transformation in continuum codes. Results demonstrate that a nonlinear interaction exists between plasticity and phase transition, facilitating a jump in the velocity of a moving phase boundary, facilitated by activated plastic deformation mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mesoscopic Phase Transition Kinetics in Secondary Particles of Electrode-Active Materials in Lithium-Ion Batteries

Many compounds used as battery storage electrodes undergo large composition changes during use that are accompanied by a first-order phase transition. Most studies of these phase transitions have focused on the unit cell to single-crystallite scale, whereas real battery electrodes are typically composed of mesoscopic assemblies of nanocrystallites, for which phase transformation mechanisms are poorly understood. Here in this work, a systematic study is conducted of the potentiostatic (constant driving force) kinetics of phase transition in secondary particles of representative intercalation compounds: LiFePO 4 , LiMn 1–x Fe x PO 4 , and Li 4 Ti 5 O 7 . Storage kinetics are studied as a function of overpotential, material composition, primary particle size, and temperature. We find that in regimes where phase transformation occurs, the results can be self-consistently explained as nucleation and growth kinetics within the framework of the Johnson–Mehl–Avrami–Kolmogorov model. This implies that despite the common secondary particle topology, the electrochemically driven phase transformations occur by nucleation and growth with little apparent resistance to phase propagation across the grain boundaries. Growth appears to be one-dimensional in nature, consistent with a hybrid growth model in which rapid surface propagation is followed by slower growth into particles.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Oxygen Release Induced Chemomechanical Breakdown of Layered Cathode Materials

Chemical and mechanical properties interplay on the nanometric scale and collectively govern the functionalities of battery materials. Understanding the relationship between the two can inform the design of battery materials with optimal chemomechanical properties for long-life lithium batteries. Herein, we report a mechanism of nanoscale mechanical breakdown in layered oxide cathode materials, originating from oxygen release at high states of charge under thermal abuse conditions. Here, we observe that the mechanical breakdown of charged Li 1-x Ni 0.4 Mn 0.4 Co 0.2 O 2 materials proceeds via a two-step pathway involving intergranular and intragranular crack formation. Owing to the oxygen release, sporadic phase transformations from the layered structure to the spinel and/or rocksalt structures introduce local stress, which initiates microcracks along grain boundaries and ultimately leads to the detachment of primary particles; i.e., intergranular crack formation. Furthermore, intragranular cracks (pores and exfoliations) form, likely due to the accumulation of oxygen vacancies and continuous phase transformations at the surfaces of primary particles. Finally, finite element modeling confirms our experimental observation that the crack formation is attributable to formation of oxygen vacancies, oxygen release, and phase transformations. This study is designed to directly observe the chemomechanical behavior of layered oxide cathode materials and provides a chemical basis for strengthening primary and secondary particles by stabilizing the oxygen anions in the lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In Situ Characterization of Ferroelectric HfO 2 During Rapid Thermal Annealing

Thermal annealing is critical in governing the phase distribution, and ultimately the electrical properties, of ferroelectric hafnium oxide films. In particular, rapid thermal annealing (RTA) has been shown to favor the formation of ferroelectric crystal phases, but the dynamic behavior of the film over the course of the anneal is not well understood. Herein, synchrotron X-ray diffraction is used to characterize the phase distribution of HfO 2 films deposited by atomic layer deposition (ALD) in situ during RTA, revealing complex phase transformations occurring on the scale of seconds. All samples investigated here transform into a nonmonoclinic phase, which is required for ferroelectric films. However, this phase often converts into the more stable monoclinic phase as annealing proceeds. The kinetic barrier to the transformation to the monoclinic phase during heating is higher than 1 eV f.u. -1 In this work, the initial crystallization into the ferroelectric phase and relatively high barrier to transformation to the nonferroelectric phase suggests that careful control of the thermal annealing profile can greatly increase the ferroelectric fraction of the film. By using a fast ramp rate and a short annealing time above the ferroelectric crystallization temperature, the remanent polarization of a pure HfO 2 film can be increased more than twofold.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-pressure phase transitions in a laser directed energy deposited Fe-33Cu Alloy

Here, additively manufactured Fe-Cu alloys contain both equilibrium face-centered cubic (FCC) and metastable body-centered cubic (BCC) crystal structure Cu precipitates depending on their size. However, the stability of these nanoscale precipitates under extreme conditions such as high pressures has not been reported. This study investigates the phase transformations and microstructural stability of laser directed energy deposition (DED-LB) made Fe67Cu33 alloy (nominal composition in at.%) under high static pressure deformation using in-situ synchrotron X-ray diffraction under pressure, postmortem high-resolution scanning transmission electron microscopy (HR-STEM), and molecular dynamics (MD) simulations. In-situ XRD results reveal a reversible phase transformation from BCC to the hexagonal close-packed (HCP) structure in the Fe grains at an onset pressure of 16.4 GPa, significantly higher than reported in the literature for pure Fe. Although no high-pressure phase transition was observed in the FCC Cu grains through XRD, HR-STEM analysis uncovers a phase transition to the HCP structure in nanoscale metastable BCC Cu precipitates within the BCC Fe matrix. After decompression, the Fe matrix reverted back to the BCC structure with periodic lath martensite, while regions of the nanoscale BCC Cu precipitates retained the metastable HCP structure. MD simulations support the BCC → HCP transition in the embedded nanoscale coherent Cu precipitates, consistent with the classical Burgers mechanism. Thus, by leveraging in-situ XRD observation, postmortem high-resolution S/TEM microscopy, and MD simulations, this study offers profound insights into the distinctive phase transformations induced by high pressure in DED-LB Fe67Cu33 alloy, which is distinguished by its hierarchical microstructure.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Effects of Dopant on Depoling Temperature in Modified BiScO3 - PbTiO3

In recent years there has been a renewed interest for high temperature piezoelectrics for both terrestrial and aerospace applications. These applications are limited in part by the operating temperature, which is usually taken as one half of the Curie temperature (Tc), and is 200C for one of the most widely used commercial piezoelectrics, Pb(Zr,Ti)O3 (PZT). In an effort to increase Tc, subsequent research into high temperature Bi(BB)O3 PbTiO3 piezoelectrics led to the discovery of the morphotropic phase boundary (MPB) in the high-Tc BiScO3 PbTiO3 (BS-PT) system with a Tc of 460C and a d33 of 460 pmV. The Tc marks the ferroelectric to paraelectric phase transformation and while, in general, a phase transformation leads to thermal depoling in piezoelectrics with low or moderate Tcs, for high Tc piezoelectrics thermally assisted dipole rotation can lead to randomization of domains at temperatures below Tc. It becomes necessary to determine the depoling temperature (Td) which dictates the actual working temperature range. By doping for Sc and Ti the Td can be shifted while maintaining similar electromechanical properties as a function of temperature. The effect of this B-site doping on depoling temperature has been explored through the characterization of microstructure and weakhigh field measurements.

Actuator↗
DOE OSTI2017

Irradiation-induced β to α SiC transformation at low temperature

Here, we observed that β-SiC, neutron irradiated to 9 dpa (displacements per atom) at ≈1440 °C, began transforming to α-SiC, with radiation-induced Frank dislocation loops serving as the apparent nucleation sites. 1440 °C is a far lower temperature than usual β → α phase transformations in SiC. SiC is considered for applications in advanced nuclear systems, as well as for electronic or spintronic applications requiring ion irradiation processing. β-SiC, preferred for nuclear applications, is metastable and undergoes a phase transformation at high temperatures (typically 2000 °C and above). Nuclear reactor concepts are not expected to reach the very high temperatures for thermal transformation. However, our results indicate incipient β → α phase transformation, in the form of small (~5–10 nm) pockets of α-SiC forming in the β matrix. In service transformation could degrade structural stability and fuel integrity for SiC-based materials operated in this regime. However, engineering this transformation deliberately using ion irradiation could enable new electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phase engineering of layered anode materials during ion-intercalation in Van der Waal heterostructures

Transition metal dichalcogenides (TMDs) are a class of 2D materials demonstrating promising properties, such as high capacities and cycling stabilities, making them strong candidates to replace graphitic anodes in lithium-ion batteries. However, certain TMDs, for instance, MoS 2 , undergo a phase transformation from 2H to 1T during intercalation that can affect the mobility of the intercalating ions, the anode voltage, and the reversible capacity. In contrast, select TMDs, for instance, NbS 2 and VS 2 , resist this type of phase transformation during Li-ion intercalation. This manuscript uses density functional theory simulations to investigate the phase transformation of TMD heterostructures during Li-, Na-, and K-ion intercalation. The simulations suggest that while stacking MoS 2 layers with NbS 2 layers is unable to limit this 2H → 1T transformation in MoS 2 during Li-ion intercalation, the interfaces effectively stabilize the 2H phase of MoS 2 during Na- and K-ion intercalation. However, stacking MoS 2 layers with VS 2 is able to suppress the 2H → 1T transformation of MoS 2 during the intercalation of Li, Na, and K-ions. The creation of TMD heterostructures by stacking MoS 2 with layers of non-transforming TMDs also renders theoretical capacities and electrical conductivities that are higher than that of bulk MoS 2 .

25 ENERGY STORAGE↗
DOE OSTI2021

Local chemical fluctuation mediated ultra-sluggish martensitic transformation in high-entropy intermetallics

Superelasticity associated with martensitic transformation has found a broad range of engineering applications, such as in low-temperature devices in the aerospace industry. Nevertheless, the narrow working temperature range and strong temperature sensitivity of the first-order phase transformation significantly hinder the usage of smart metallic components in many critical areas. Here, we scrutinized the phase transformation behavior and mechanical properties of multicomponent B2-structured intermetallic compounds. Strikingly, the (TiZrHfCuNi) 83.3 Co 16.7 high-entropy intermetallics (HEIs) show superelasticity with high critical stress over 500 MPa, high fracture strength of over 2700 MPa, and small temperature sensitivity in a wide range of temperatures over 220 K. The complex sublattice occupation in these HEIs facilitates formation of nano-scaled local chemical fluctuation and then elastic confinement, which leads to an ultra-sluggish martensitic transformation. The thermal activation of the martensitic transformation was fully suppressed while the stress activation is severely retarded with an enhanced threshold stress over a wide temperature range. Moreover, the high configurational entropy also results in a small entropy change during phase transformation, consequently giving rise to the low temperature sensitivity of the superelasticity stress. Furthermore, our findings may provide a new paradigm for the development of advanced superelastic alloys, and shed new insights into understanding of martensitic transformation in general.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of rapid heating and cooling combined with deformation at ultrahigh strain rates on the microstructure evolution of pure titanium shaped charge liner

Highlights: • A slug prepared from pure titanium SCL was recovered after detonation deformation at an ultrahigh strain rate over 10{sup 5} s{sup −1}. • The α → β → α phase transformation occurred in Ti SCL during the ultrahigh-strain -rate deformation. • The microstructures of the recovered slug included lamellar α grains, equiaxed α grains, and jagged α grains. - Abstract: A slug prepared from pure titanium shaped charge liners was recovered after detonation deformation at an ultrahigh strain rate over 10{sup 5} s{sup −1} and high strain over 500%. Optical microscopy, electron backscattered diffraction (EBSD), and transmission electron microscopy (TEM) were employed to investigate the microstructure of the Ti shaped charged liner before and after the detonation deformation. The microstructures of the recovered slug include lamellar α grains, equiaxed α grains within localized shear bands, and jagged α grains. EBSD results indicated that the grain orientation distribution is random and no texture was observed in the slug. TEM observation revealed that the α → β → α phase transformation occurred owing to the rapid heating and cooling combined with deformation at ultrahigh strain rates in the Ti shaped charge liner. No melting phenomenon was observed during the deformation process. The deformation process consisted of the explosive detonation stage combined with rapid heating and the subsequent penetration stage combined with rapid cooling. In the explosive detonation stage, the α → β phase transformation instantaneously occurred via a martensitic mechanism. In the penetration stage, the high-temperature slug in β state was cooled rapidly and showed different deformation behaviors in three different areas.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of processing on secondary phase formation and microstructural evolution at U-10Mo alloy and Zr interlayer interfaces

Thermo-mechanical processing of uranium-10 wt. % molybdenum (U-10Mo) fuel plates leads to microstructure changes at the U-10Mo/Zr interfaces. Secondary phases formed at this interface are particularly important to interfacial bond strength, process optimization, and maintaining structural integrity of the U-10Mo fuel plates during irradiation. In this work, we determined the phases and phase transformation products occurring at the interface of the U-10Mo fuel and Zr interlayer when the fuel plate is subjected to short and long hot isostatic pressure times. Interfacial morphology, structure and composition of phases formed, and relative hardness across the U-10Mo/Zr interfaces were studied using a multi-length scale, multi-modal characterization approach involving electron microscopy, atom probe tomography, and atomic force microscopy. Here, results highlight that the extent of phase transformations, secondary phase formation, and hardness variability across interfaces can be controlled by modifying processing parameters. Phase diagram construction and thermodynamic calculations were performed using the Thermocalc software to identify expected phases formed at interfaces during the maximum hold temperature of 560 °C experienced during HIP.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Modular Controllable Transformers (MCT)

Large Power Transformers (LPTs) are at the heart of the electricity infrastructure and are critical pieces in today’s grid. Aging assets, long turn-around times, transportation delays and dependence on foreign manufacturing for these components have created conditions for points of failure across the system. Moreover, there is no available dynamic control on these passive sections of the grid. For all the automation embedded on the low voltage side of the low voltage side of the system there is absolutely no flexibility on the high voltage side. Changes in power flow patterns are brought about by altering dispatch patterns for generators which requires a coordinated effort and is often time consuming. Traditional FACTS based approaches such as UPFC or HVDC light involve massive modifications to the existing infrastructure. Recent instances of physical attacks on LPTs and the slow recovery process associated with fixing or replacing these damaged units has created an increased awareness for this issue. LPT designs are highly customized owing to specific field requirements. Long lead times coupled with transportation delays make procuring and installing LPTs a lengthy process. In an attempt to minimize the recovery time following an LPT failure, transformer manufacturers have developed mobile transformer units. These units typically consist of either a single-phase or three-phase transformer mounted on a truck and characterized by compact form factors. By reducing the assembly time and transport time these units offer a fast and temporary solution to LPT failures. Several efforts led by DOE, Edison Electric Company (EEI) and North American Electric Reliability Corporation (NERC) have led to the RecX program. RecX transformers consist of single phase transformers transported on specialized assemblies to enable fast restoration and minimal installation time. NERC and EEI have instituted transformer sharing programs like Spare Equipment Database (SED) as well as Spare Transformer Equipment Database (STEP) which encourage utilities to maintain and share a fleet of LPTs. Mobile transformers are typically limited to less than 100 MVA to enable transportation on a trailer. Also, the efficiency of mobile transformer units and RecX transformers is lower since they are temporary solutions. The ideal replacement solution would be one that could utilize a set of standardized transformers while incorporating flexibility to influence metrics like power flow, apparent impedance and voltage profiles. In view of these issues the team at Georgia Tech proposed a concept called Modular Controllable Transformers (MCTs). This project was commissioned as a part of DOE’s Transformer Resiliency and Advance Component (TRAC) program. The approach consists of splitting one large unit rated upwards of 100 MVA with smaller modular, standardized units. Each of these smaller units are augmented with a converter to add power flow, voltage and impedance control. Splitting the power level into multiple units has two important implications. By making smaller units, the transportation times can be reduced drastically. Moreover, even though these units have very specific impedance and other parameters, the augmented converters can make it emulate the unit being replaced. Thus, faster replacement times and added controls are achieved making this an extremely resilient approach. In the event of one modular units failure, the other two controllable units can operate in the most resilient fashion keeping the net system overloads to a minimum. Moreover, for the same probability of failure only a fraction of the system capacity is lost. The converter is augmented on to the tertiary winding of the transformer making it retrofittable in the field without massive modifications to the system. The material proposed in this report highlights design considerations to minimize recovery time as well as results displaying overall improvement in resiliency. The cost analysis of this approach shows significant savings compared to UPFC and HVDC lite based approaches. Extensive analysis was conducted on numerous aspects of this project over the course of this project. Simulation studies were conducted to prove the 5MVA converter design. Challenging BIL constraints and transient issues were addressed over the course of this project. Simulations on EMTP platform presented in consequent sections were used to finely tune the control for the same. A final design for a back-to-back 5MVA neutral-point-clamped (NPC) converter was completed in this project. Furthermore, switching components like high power IGBTs from IXYS Westcode Press-Pack series and ABB Stackpack series were identified for this application. These devices exhibit a blocking voltage of 6.5 kV and a nominal collector current of 900 A. Potential housing options as well as existing commercial option were identified for this converter design. A 56 MVA modular transformer unit was designed with Delta Star Inc. with consultation and inputs from all project members. The transformer cooling systems were chosen to be Oil Natural Air Forced (ONAF) to optimize ease of transport. A full Product Requirement Document (PRD) for the converter and the transformer was generated. The team also investigated key aspects of resiliency and how to quantify the same. A metric was developed to analyze resiliency and numerous simulation cases were presented. Increased (N-1) resiliency and outage resistance was showcased through simulation on the Texas Large scale power system. Dynamic control capabilities were also showcased on numerous system level simulations. An IEEE 30 bus system was used to show the ability of the MCT approach to reduce line congestion. Power flow control; a part of the MCTs abilities, showcased a 29% reduction in transformer loading on the same system. Full control over tie line flows was demonstrated on a modified IEEE 13 bus system. Dynamic LTC capabilities were shown through simulation and were compared to traditional LTCs. Furthermore, the ability of the MCTs to alter apparent transformer impedance was simulated to promote standardization of modular transformer units while retaining the ability to emulate a varied range of impedance characteristics. Thus granular control over power flow, voltages, impedances and was presented. Regulatory analysis conducted by Oak Ridge National Laboratory (ORNL) further bolstered the efficacy of the MCT approach and verified the added resiliency achieved due to this approach. As a conclusion, it was proved that the resilience improvement obtained from using the MCT approach is justified by just one failure in a 30-year period. This means that the benefits obtained from using the MCT approach far outweigh the cost of setting this approach up. As a part of the future efforts, the team is proposing building a (12.47-24) kV/400 kVA scaled down unit to control 5MVA of power flows. Emphasis would be laid on using commercial components to speed up the build of these units. Further the actual transport of the modular transformer unit would be a part of this operation and would provide insight into transportation issues. The approach shows much promise and adds key dynamic control on passive sub transmission and transmission sectors.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

“Lattice Strain Matching”‐Enabled Nanocomposite Design to Harness the Exceptional Mechanical Properties of Nanomaterials in Bulk Forms

Abstract Nanosized materials are known to have the ability to withstand ultralarge elastic strains (4–10%) and to have ultrahigh strengths approaching their theoretical limits. However, it is a long‐standing challenge to harnessing their exceptional intrinsic mechanical properties in bulk forms. This is commonly known as “the valley of death” in nanocomposite design. In 2013, a breakthrough was made to overcome this challenge by using a martensitic phase transforming matrix to create a composite in which ultralarge elastic lattice strains up to 6.7% are achieved in Nb nanoribbons embedded in it. This breakthrough was enabled by a novel concept of phase transformation assisted lattice strain matching between the uniform ultralarge elastic strains (4–10%) of nanomaterials and the uniform crystallographic lattice distortion strains (4–10%) of the martensitic phase transformation of the matrix. This novel concept has opened new opportunities for developing materials of exceptional mechanical properties or enhanced functional properties that are not possible before. The work in progress in this research over the past six years is reported.

Zhang, Junsong↗
DOE OSTI2018

The facile synthesis, crystallization behavior and magnetic property of FeNiP amorphous nanoparticles

Highlights: • A facile chemistry method was proposed to synthesize amorphous FeNiP nanoparticle. • Phase transformation happened during sintering the amorphous nanoparticle. • Ni nanospheres and monoclinic (Ni,Fe){sub 3}[PO4]{sub 2} nanorods appeared at 800 °C. • Crystallization behavior is α-FeNiP → Ni + FeNi{sub 3} + Ni{sub 3}P → Ni + (Ni,Fe){sub 3}[PO{sub 4}]{sub 2}. • Sintered powders have varied magnetic properties due to phase proportion change. - Abstract: Amorphous FeNiP nanoparticles with homogeneous composition are synthesized by reduction of aqueous Fe{sup 2 +} and Ni{sup 2 +} with sodium borohydride (NaBH{sub 4}) and hypophosphite at room temperature. These amorphous nanoparticles can be crystallized by heating up to 300 °C to form FeNi{sub 3} and Ni{sub 3}P crystals. Ni phase appeared at the sintering temperature of 500 °C, and a special net structure was formed at 700 °C due to the joining and diffusion among different nanoparticles. At a higher temperature of 800 °C, phase transformation happened and only pure Ni nanospheres and monoclinic ((Ni, Fe){sub 3}[PO{sub 4}]{sub 2}) nanorods can be observed, which should be governed by the long-range diffusion in the net structure. The amorphous FeNiP nanoparticles have excellent soft magnetic property with Ms of 13.2 emu/g and Hc of 0.7 Oe. However, the sintered mixing nanoparticles show varied magnetic properties due to the phase transformation and proportion change among different phases involved in.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Two-step deformation-induced martensitic transformation in additively manufactured High-Si stainless steel

Deformation-induced phase transformation in the additively manufactured (AM) Fe–18Cr–8Ni-5.5Si (in wt.%) alloy was analyzed using the in-situ electron backscattered diffraction (EBSD) record during uniaxial tensile testing in a scanning electron microscope (SEM). Analysis of EBSD data was focused to investigate phase transformation behavior during deformation with consideration of mechanical interactions among phases and grains in the ultrafine AM microstructure. The initial EBSD phase map illustrated that the as-built microstructure was a duplex structure consisting of major austenite (γ) and minor ferrite phases, some of which showed non-traditional orientation relationship since the rapid solidification in the AM process has produced non-equilibrium state in phase formation. In the deformed as-built AM alloy, the two-step martensitic transformation (γ→ε→α´) was identified as the main deformation-induced transformation mechanism. Martensitic transformation steps were found to be associated with glides of Shockley partial dislocations on closed packed (111) planes under the influence of atomic disturbance in the γ and ε phases, respectively. Using the closed-packed plane pole figures and unit cell orientations, their evolutions and mechanisms accompanying with the transformation were analyzed. Finally, the results indicate that one variant of ε-martensite forms from their parent γ phase, while two variants of α´ form from their parent ε phase.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Many-Body Quantum Catalysts for Transforming Between Phases of Matter

A catalyst is a substance that enables otherwise impossible transformations between states of a system, without being consumed in the process. In this work, we apply the notion of catalysts to many-body quantum physics. In particular, we construct catalysts that enable transformations between different symmetry-protected topological (SPT) phases of matter using symmetric finite-depth quantum circuits. We discover a wide variety of catalysts, including GHZ-like states that spontaneously break the symmetry, gapless states with critical correlations, topological orders with symmetry fractionalization, and spin-glass states. These catalysts are all united under a single framework that has close connections to the theory of quantum anomalies, and we use this connection to put strong constraints on possible pure- and mixed-state catalysts. We also show how the catalyst approach leads to new insights into the structure of certain phases of matter, and to new methods to efficiently prepare SPT phases with long-range interactions or projective measurements.

quantum many-body systems↗