率先提出多层膜离子束混合在二元金属系统中形成非晶态合金（金属玻璃）的经验规则和热力学模型。首创用离子束方法研究固体薄膜中的分形生长，并用分数维数来表征固体相变的行为。提出金属多层膜中发生固态非晶化反应的热力学和动力学的判据，并用分子动力学方法揭示其原子运动机制。阐明离子注入形成金属氮化物的规律。发展出强流金属离子注入制备金属硅化物的新技术。用电子辐照为快中子堆的结构材料提供肿胀数据。构建了物理多尺度的计算与模拟平台，能应用于研究和揭示金属材料科学问题的宏观与微观尺度上的机理。用第一性原理计算亚稳合金相的稳定性、磁学性能、并发展和完善了第一性原理计算辅助构建多体势的方法。率先建立了能预言二元金属玻璃形成的原子尺度理论。
代表性论文
1. ATOMISTIC THEORY FOR PREDICTING THE BINARY METALLIC GLASS FORMATION
J. H. Li, Y. Dai, Y. Y. Cui and B. X. Liu
Review Article:Materials Science and Engineering: Reports 70 (1-2), 1-28 (2011).
2. INTERATOMIC POTENTIALS OF BINARY TRANSITION METAL SYSTEMS AND SOME APPLICATIONS IN MATERIALS PHYSICS
J.H.Li, X.D.Dai, S.H.Liang, K. P. Tai, Y.Kong and B. X. Liu
Review Article：Physics Reports: 455(Nos. 1-3) 1-134 (2008).
3. SOLID-STATE CRYSTAL-TO-AMORPHOUS TRANSITION IN METAL-METAL MULTILAYERES AND ITS THERMODYANMIC AND ATOMISTIC MODELLING
B.X.Liu, W.S.Lai and Z.J.Zhang
Review Article: Advances in Physics 50 (No.4) 367-429 (2001).
4. IRRADIATION INDUCED AMORPHIZATION IN METALLIC MULTILAYERS AND CALCULATION OF GLASS-FORMING ABILITY FROM INTERATOMIC POTENTIALS
B.X.Liu, W.S.Lai and Q.Zhang
Review Article:Materials Science and Engineering: Reports 29 (1-2), 1-48 (2000).
5. FORMATION AND THEORETICAL MODELLING OF NON-EQUILIBRIUM ALLOY PHASES BY ION MIXING
B.X.Liu and O.Jin
Review Article: Physica Status Solidi (a) 161, 3-33 (1997).
6. THERMODYNAMICS AND GROWTH KINETICAL CONSIDERATION OF METAL-NITRIDE FORMATION BY NITROGEN IMPLANTATION
B.X.Liu, X. Zhou and H-D. Li
Review Article, Physica Status Solidi (a) 113, 11-22 (1989).
7. ION MIXING AND METALLIC ALLOY PHASE FORMATION
B.X.Liu
Review Article：Physica Status Solidi (a) 94, 11-34 (1986).
8. INTERATOMIC POTENTIALS TO PREDICT THE BINARY METALLIC GLASS FORMATION
B. X .Liu, J. H. Li and W. S. Lai
J. Materials Research 25 (5) p. 769-781 (2010).
9. PROPOSED LONG RANGE POTENTIAL TO STUDY THE FORMATION AND ATOMIC STRUCTURE OF METALLIC GLASSES IN THE Ni-Nb-Ta SYSTEM
Y. Dai, J. H. Li, X. L. Che and B. X. Liu
J. Physical Chemistry-B 113 (20): 7282-7290 (2009).
10. THE METALLIC GLASS-FORMING REGION OF A TERNARY METAL SYSTEM PREDICTED BY INTERATOMIC POTENTIAL THROUGH MOLECULAR DYNAMICS SIMULATION
X.D. Dai, J.H. Li and B.X. Liu
Scripta Materialia 57: 161–164 (2007).
11. ICOSITETRAHEDRAL AND ICOSAHEDRAL ATOMIC CONFIGURATIONS OBSERVED IN THE Nb-Ag METALLIC GLASSES SYNTHESIZED BY ION
BEAM MIXING
K.P.Tai, N.Gao, X.D.Dai, J.H.Li and B.X.Liu
Applied Physics Letters 89 (9), Art. No. 094108 AUG (2006).
12. SPINODAL DECOMPOSITION INDUCED IN A HIGHLY IMMISCIBLE Ag-Mo SYSTEM BY ION IRRADAITION
K.P.Tai, X.D.Dai and B.X.Liu
Applied Physics Letters 88 (18), Art. No. 184103 MAY (2006).
13. SOLID-STATE AMORPHIZATION OBSERVED IN THE EQUILIBRIUM IMMISCIBLE Cu-Re SYSTEM BY MOLECULAR DYANMICS SIMULATIONS
J.H.Li, S.H.Liang and B.X.Liu
J. Physical Chemistry-B 109 (34): 16463-16468 September (2005).
14. METASTABLE ISOMORPHOUS PHASE DIAGRAM OF THE PERTECTIC Ni-Ru SYSTEM PREDICTED BY AB INITIO AND MOLECULAR DYNAMICS CALCULATIONS
J. H. Li, H.B.Guo, L.T.Kong and B.X.Liu
Physical Review B 71 (1): Art. No. 014`07, JAN (2005).
15. FORMATION OF AMORPHOUS ALLOY BY ION BEAM MIXING AND ITS MULTISCALE THEORETICAL MODELING IN THE EQUILIBRIUM IMMISCIBLE Sc-W SYSTEM
R.F.Zhang, Y.X.Shen, H.F.Yan and B.X.Liu
J. Physical Chemistry B 109 (10): 4391-4397 MAR (2005).
16. GLASS-FORMING ABILITY DETERMINED BY AN N-BODY POTENTIAL IN A HIGHLY IMMISCIBLE Cu-W SYSTEM
H.R.Gong, L.T.Kong, W.S.Lai and B.X.Liu
Physical Review B 68, 144201 Oct. (2003).
17. MANIPULATION OF ORDERED LATERED STRUCTURE BY INTERFACE-ASSISTED ION BEAM MIXING IN IMMISCIBLE Ag-Co AND Ag-Ni SYSTEMS
Z.C.Li, D.P.Yu and B.X.Liu
Physical Review B 65, 245403 (1-6) (2002).
18. PREDICTION OF SOLID-STATE AMORPHIZATION IN BINARY METAL SYSTEMS
C.Lin, G.W.Yang and B.X.Liu
Physical Reviw B 61, 15649-15652 (2000).
19. GLASS FORMING ABILITY DETERMINED BY INTERATOMIC POTENTIAL OF THE Ni-Mo SYSTEM
Q.Zhang, W.S.Lai and B.X.Liu
Physical Review B 59, 13521-13524 (1999).
20. INFLUENCE OF INTERFACIAL TEXTURE ON AND ASYMMETRIC GROWTH OF SOLID-STATE AMORPHIZATION IN THE Ni/Zr MULTILAYERS
W.S.Lai and B.X.Liu
Physical Review B 58, 6063-6073 (1998).
21. ROLE OF INTERFACE IN ION MIXING INDUCED AMORPHIZATION IN THE Ag-Mo SYSTEM WITH VERY LARGE POSITIVE HEAT OF FORMATION
O.Jin, Z.J.Zhang and B.X.Liu
Applied Physics Letters 67, 1524-1526 (1995).
22. SPONTANEOUS VITRIFICATION IN THE Au-Ta SYSTEM WITH A SMALL SIZE DIFFERENCE
F.Pan, Y.G.Chen and B.X.Liu
Applied Physics Letters 67, 780-782 (1995).
23. ANOMALOUS ALLOYING BEHAVIOR INDUCED BY ION IRRADIATION IN A SYSTEM WITH A LARGE POSITIVE HEAT OF MIXING
Z.J.Zhang, O.Jin and B.X.Liu
Physical Review B 51, 8076-8085 (1995).
24. SYNTHESIS OF β- AND α-FeSi2 PHASES BY FE ION IMPLANTATION INTO Si USING METAL VAPOR VACUUM ARC ION SOURCE
B.X.Liu, D.H.Zhu, H.B.Lu , F.Pan and K. Tao
J. Applied Physics 75(8), 3847-3854 (1994).
25. EFFECTS OF ALLOYING AND TREATMENT ON VOID SWELLING OF TYPE 316 STAINLESS STEELS
B.X.Liu, S.L.Lai and J.G.Sun
J.Materials Research 6, 1650-1654 (1991).
26. DISCLINATION LOOPS OBSERVED IN AMORPHOUS Ni-Mo FILMS BY ION IRRADIATION
B.X.Liu, C.H.Shang and H-D.Li
J. Physics :Condensed Matter 3, 5769-5781 (1991).
27. LINEAR CORRELATION OF FRACTAL DIMENSION VERSUS ATOMIC MAGNETRON IN MAGNETIC-PARTICLE AGGREGATION
B.X.Liu and J.R.Ding
Physical Review B 40, 7432-7434 (1989).
28. OBSERVATIONS OF FRACTAL PATTERNS INDUCED IN THIN SOLID FILMS BY ION IRRADIATION
B.X.Liu, L.J.Huang, K.Tao, C.H.Shang and H-D.Li
Physical Review Letters 59, 745-747 (1987).
29. PREDICTION OF METALLIC GLASS FORMATION BY ION MIXING
B.X.Liu
Materials Letters 5, 322-327 (1987).
30. STRUCTURAL DIFFERENCE RULE FOR AMORPHOUS ALLOY FORMATION BY ION MIXING
Bai-Xin Liu, W.L.Johnson, M-A.Nicolet and S.S.Lau
Applied Physics Letters 42, 45 (1983).